Computer-based representation of physical systems and phenomena such as chemical processes.
A computer simulation developed to study the motion of molecules over a period of time.
Sequential operating programs and data which instruct the functioning of a digital computer.
A procedure consisting of a sequence of algebraic formulas and/or logical steps to calculate or determine a given task.
Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.
A rigorously mathematical analysis of energy relationships (heat, work, temperature, and equilibrium). It describes systems whose states are determined by thermal parameters, such as temperature, in addition to mechanical and electromagnetic parameters. (From Hawley's Condensed Chemical Dictionary, 12th ed)
The properties, processes, and behavior of biological systems under the action of mechanical forces.
A specialized CONNECTIVE TISSUE that is the main constituent of the SKELETON. The principle cellular component of bone is comprised of OSTEOBLASTS; OSTEOCYTES; and OSTEOCLASTS, while FIBRILLAR COLLAGENS and hydroxyapatite crystals form the BONE MATRIX.
The persistent eating of nonnutritive substances for a period of at least one month. (DSM-IV)
The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.
Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.
The process of bone formation. Histogenesis of bone including ossification.
Native, inorganic or fossilized organic substances having a definite chemical composition and formed by inorganic reactions. They may occur as individual crystals or may be disseminated in some other mineral or rock. (Grant & Hackh's Chemical Dictionary, 5th ed; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
A polypeptide substance comprising about one third of the total protein in mammalian organisms. It is the main constituent of SKIN; CONNECTIVE TISSUE; and the organic substance of bones (BONE AND BONES) and teeth (TOOTH).
A type of junction that attaches one cell to its neighbor. One of a number of differentiated regions which occur, for example, where the cytoplasmic membranes of adjacent epithelial cells are closely apposed. It consists of a circular region of each membrane together with associated intracellular microfilaments and an intercellular material which may include, for example, mucopolysaccharides. (From Glick, Glossary of Biochemistry and Molecular Biology, 1990; Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)
Desmoplakins are cytoskeletal linker proteins that anchor INTERMEDIATE FILAMENTS to the PLASMA MEMBRANE at DESMOSOMES.
Members of the armadillo family of proteins that are found in DESMOSOMES and interact with various proteins including desmocadherins; DESMOPLAKIN; ACTIN FILAMENTS; and KERATINS.
A type of scanning probe microscopy in which a probe systematically rides across the surface of a sample being scanned in a raster pattern. The vertical position is recorded as a spring attached to the probe rises and falls in response to peaks and valleys on the surface. These deflections produce a topographic map of the sample.
Polyacenes with four ortho-fused benzene rings in a straight linear arrangement. This group is best known for the subclass called TETRACYCLINES.
Country located in EUROPE. It is bordered by the NORTH SEA, BELGIUM, and GERMANY. Constituent areas are Aruba, Curacao, Sint Maarten, formerly included in the NETHERLANDS ANTILLES.
Any of the numerous types of clay which contain varying proportions of Al2O3 and SiO2. They are made synthetically by heating aluminum fluoride at 1000-2000 degrees C with silica and water vapor. (From Hawley's Condensed Chemical Dictionary, 11th ed)
The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds.
Characteristics or attributes of the outer boundaries of objects, including molecules.
A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it.
An acetamido cyclohexene that is a structural homolog of SIALIC ACID and inhibits NEURAMINIDASE.
A plant genus in the family APIACEAE (Umbelliferae) that is used in SPICES and is a source of anethole.
Drugs whose drug name is not protected by a trademark. They may be manufactured by several companies.
An acid which is found in cinchona bark and elsewhere in plants. (From Stedman, 26th ed)
The relative equivalency in the efficacy of different modes of treatment of a disease, most often used to compare the efficacy of different pharmaceuticals to treat a given disease.
A mass spectrometry technique using two (MS/MS) or more mass analyzers. With two in tandem, the precursor ions are mass-selected by a first mass analyzer, and focused into a collision region where they are then fragmented into product ions which are then characterized by a second mass analyzer. A variety of techniques are used to separate the compounds, ionize them, and introduce them to the first mass analyzer. For example, for in GC-MS/MS, GAS CHROMATOGRAPHY-MASS SPECTROMETRY is involved in separating relatively small compounds by GAS CHROMATOGRAPHY prior to injecting them into an ionization chamber for the mass selection.
A mass spectrometry technique used for analysis of nonvolatile compounds such as proteins and macromolecules. The technique involves preparing electrically charged droplets from analyte molecules dissolved in solvent. The electrically charged droplets enter a vacuum chamber where the solvent is evaporated. Evaporation of solvent reduces the droplet size, thereby increasing the coulombic repulsion within the droplet. As the charged droplets get smaller, the excess charge within them causes them to disintegrate and release analyte molecules. The volatilized analyte molecules are then analyzed by mass spectrometry.
An analytical method used in determining the identity of a chemical based on its mass using mass analyzers/mass spectrometers.
Databases containing information about PROTEINS such as AMINO ACID SEQUENCE; PROTEIN CONFORMATION; and other properties.
Bony cavity that holds the eyeball and its associated tissues and appendages.
An optical source that emits photons in a coherent beam. Light Amplification by Stimulated Emission of Radiation (LASER) is brought about using devices that transform light of varying frequencies into a single intense, nearly nondivergent beam of monochromatic radiation. Lasers operate in the infrared, visible, ultraviolet, or X-ray regions of the spectrum.
Stable elementary particles having the smallest known negative charge, present in all elements; also called negatrons. Positively charged electrons are called positrons. The numbers, energies and arrangement of electrons around atomic nuclei determine the chemical identities of elements. Beams of electrons are called CATHODE RAYS.
The study of those aspects of energy and matter in terms of elementary principles and laws. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed)
Microscopy using an electron beam, instead of light, to visualize the sample, thereby allowing much greater magnification. The interactions of ELECTRONS with specimens are used to provide information about the fine structure of that specimen. In TRANSMISSION ELECTRON MICROSCOPY the reactions of the electrons that are transmitted through the specimen are imaged. In SCANNING ELECTRON MICROSCOPY an electron beam falls at a non-normal angle on the specimen and the image is derived from the reactions occurring above the plane of the specimen.
That portion of the electromagnetic spectrum usually sensed as heat. Infrared wavelengths are longer than those of visible light, extending into the microwave frequencies. They are used therapeutically as heat, and also to warm food in restaurants.

The urinary elimination profiles of diazepam and its metabolites, nordiazepam, temazepam, and oxazepam, in the equine after a 10-mg intramuscular dose. (1/20240)

A method for the extraction of diazepam and its metabolites (nordiazepam, temazepam, and oxazepam) from equine urine and serum and their quantitation and confirmation by liquid chromatography-tandem mass spectrometry is presented. Valium, a formulation of diazepam, was administered at a dose of 10 mg intramuscularly to four standard-bred mares. Diazepam is extensively metabolized in the horse to nordiazepam, temazepam, and oxazepam. Diazepam urinary concentrations were found to be less than 6 ng/mL. Nordiazepam was found to be mainly in its glucuronide-conjugated form and was measured out to a collection time of 53-55 h. Oxazepam and temazepam were entirely conjugated, and their urinary concentrations were measured out to collection times of 121 h and 77-79 h, respectively. Diazepam and nordiazepam were measured in equine postadministration serum out to collection times of 6 and 54 h, respectively. Oxazepam and temazepam were not detected in postadministration serum.  (+info)

A single membrane-embedded negative charge is critical for recognizing positively charged drugs by the Escherichia coli multidrug resistance protein MdfA. (2/20240)

The nature of the broad substrate specificity phenomenon, as manifested by multidrug resistance proteins, is not yet understood. In the Escherichia coli multidrug transporter, MdfA, the hydrophobicity profile and PhoA fusion analysis have so far identified only one membrane-embedded charged amino acid residue (E26). In order to determine whether this negatively charged residue may play a role in multidrug recognition, we evaluated the expression and function of MdfA constructs mutated at this position. Replacing E26 with the positively charged residue lysine abolished the multidrug resistance activity against positively charged drugs, but retained chloramphenicol efflux and resistance. In contrast, when the negative charge was preserved in a mutant with aspartate instead of E26, chloramphenicol recognition and transport were drastically inhibited; however, the mutant exhibited almost wild-type multidrug resistance activity against lipophilic cations. These results suggest that although the negative charge at position 26 is not essential for active transport, it dictates the multidrug resistance character of MdfA. We show that such a negative charge is also found in other drug resistance transporters, and its possible significance regarding multidrug resistance is discussed.  (+info)

Stabilization of poly-L-lysine/DNA polyplexes for in vivo gene delivery to the liver. (3/20240)

We are developing a self-assembling non-viral in vivo gene delivery vehicle based on poly-l-lysine and plasmid DNA. We have characterized poly-l-lysines of different chain lengths for DNA condensation and strength of DNA binding. Poly-l-lysine chains >20 residues bound DNA efficiently in physiological saline, while shorter chains did not. Attachment of asialoorosomucoid to PLL increased the PLL chain length required for efficient DNA binding in saline and for efficient DNA condensation. By electron microscopy, poly-l-lysine/DNA polyplexes appeared as toroids 25-50 nm in diameter or rods 40-80 nm long; conjugation of asialoorosomucoid to the polylysine component increased the size of resulting polyplexes to 50-90 nm. In water, poly-l-lysine and asialoorosomucoid-PLL polyplexes have effective diameters of 46 and 87.6 nm, respectively. Polyplexes containing only poly-l-lysine and DNA aggregated in physiological saline at all charge ratios and aggregated at neutral charge ratios in water. Attachment of asialoorosomucoid lessened, but did not eliminate, the aggregation of PLL polyplexes, and did not result in efficient delivery of polyplexes to hepatocytes. Conjugation of polyethylene glycol to poly-l-lysine sterically stabilized resulting polyplexes at neutral charge ratios by shielding the surfaces. For efficient in vivo gene delivery, polyplexes will need to be sterically stabilized to prevent aggregation and interaction with serum components.  (+info)

Isolation of SMTP-3, 4, 5 and -6, novel analogs of staplabin, and their effects on plasminogen activation and fibrinolysis. (4/20240)

Four novel triprenyl phenol metabolites, designated SMTP-3, -4, -5, and -6, have been isolated from cultures of Stachybotrys microspora IFO 30018 by solvent extraction and successive chromatographic fractionation using silica gel and silica ODS columns. A combination of spectroscopic analyses showed that SMTP-3, -4, -5, and -6 are staplabin analogs, containing a serine, a phenylalanine, a leucine or a tryptophan moiety in respective molecules in place of the N-carboxybutyl portion of the staplabin molecule. SMTP-4, -5, and -6 were active at 0.15 to 0.3 mM in enhancing urokinase-catalyzed plasminogen activation and plasminogen binding to fibrin, as well as plasminogen- and urokinase-mediated fibrinolysis. On the other hand, the concentration of staplabin required to exert such effects was 0.4 to 0.6 mM, and SMTP-3 was inactive at concentrations up to 0.45 mM.  (+info)

Novel selective inhibitors for human topoisomerase I, BM2419-1 and -2 derived from saintopin. (5/20240)

Compounds BM2419-1 and -2 were isolated from a culture broth of a fungus Paecilomyces sp. BM2419. It was shown that these novel compounds were artifacts derived from saintopin, a dual inhibitor of topoisomerase I and II by independent processes. In the human topoisomerase I inhibition assay using the recombinant Saccharomyces cerevisiae, BM2419-1 and -2 inhibited selectively the yeast growth dependent on human topoisomerase I induction with IC50 values of 0.3 ng/ml and 6.0 ng/ml, respectively.  (+info)

Apicularens A and B, new cytostatic macrolides from Chondromyces species (myxobacteria): production, physico-chemical and biological properties. (6/20240)

A novel macrolide, apicularen A, was produced by several species of the genus Chondromyces. Initially it was discovered by bioassay-guided RP-HPLC-fractionation of culture extracts of Chondromyces robustus, strain Cm a13. Apicularen A showed no antimicrobial activity, but was highly cytotoxic for cultivated human and animal cells, with IC50 values ranging between 0.1 and 3 ng/ml. A cometabolite of apicularen A, the N-acetylglucosamine glycoside apicularen B, was distinctly less cytotoxic with IC50 values between 0.2 and 1.2 microg/ml, and showed weak activity against a few Gram-positive bacteria. Apicularen A is chemically closely related to the salicylihalamides A and B from the marine sponge Haliclona sp.  (+info)

BE-31405, a new antifungal antibiotic produced by Penicillium minioluteum. I. Description of producing organism, fermentation, isolation, physico-chemical and biological properties. (7/20240)

A new antifungal antibiotic, BE-31405, was isolated from the culture broth of a fungal strain, Penicillium minioluteum F31405. BE-31405 was isolated by adsorption on high porous polymer resin (Diaion HP-20), followed by solvent extraction, precipitation and crystallization. BE-31405 showed potent growth inhibitory activity against pathogenic fungal strains such as Candida albicans, Candida glabrata and Cryptococcus neoformans, but did not show cytotoxic activity against mammalian cells such as P388 mouse leukemia. The mechanism studies indicated that BE-31405 inhibited the protein synthesis of C. albicans but not of mammalian cells.  (+info)

Structure of actinotetraose hexatiglate, a unique glucotetraose from an actinomycete bacterium. (8/20240)

An Actinomycete strain A499 belonging to the genera Amycolatopsis or Amycolata isolated from a Western Australian soil sample produced the cyclic decapeptide antibiotic quinaldopeptin (1), together with the actinotetraose hexatiglate (2), the hexa-ester of a novel non-reducing glucotetraose.  (+info)

The rates of aromatic nucleophilic substitution reactions in liquid ammonia are much faster than those in protic solvents indicating that liquid ammonia behaves like a typical dipolar aprotic solvent in its solvent effects on organic reactions. Nitrofluorobenzenes (NFBs) readily undergo solvolysis in liquid ammonia and 2-nitrofluorobenzene is about 30 times more reactive than the 4-substituted isomer. Oxygen nucleophiles, such as alkoxide and phenoxide ions, readily displace fluorine of 4-NFB in liquid ammonia to give the corresponding substitution product with little or no competing solvolysis product. Using the pKa of the substituted phenols in liquid ammonia, the Brønsted βnuc for the reaction of 4-NFB with para-substituted phenoxides is 0.91, indicative of the removal of most of the negative charge on the oxygen anion and complete bond formation in the transition state and therefore suggests that the decomposition of the Meisenheimer σ-intermediate is rate limiting. The aminolysis of ...
Bimolecular nucleophilic substitution (SN2) reactions are concerted, meaning they are a one step process. This means that the process whereby the nucleophile attacks and the leaving group leaves is simultaneous. Hence, the bond-making between the nucleophile and the electrophilic carbon occurs at the same time as the bond-breaking between the electophilic carbon and the halogen.. The potential energy diagram for an SN2 reaction is shown below. Upon nucleophilic attack, a single transition state is formed. A transition state, unlike a reaction intermediate, is a very short-lived species that cannot be isolated or directly observed. Again, this is a single-step, concerted process with the occurrence of a single transition state.. ...
The term SN2 means that two reactants are involved in the rate determining step. This means the nucleophile will attack the electrophilic carbon at the same time as the leaving group leaves. This leads to a 5 membered transition state. Since the nucelophile is coming into the molecule at the same time as the leaving group leaves it has to attack from the back. If the molecule is initially chiral it will lead to inversion of stereochemistry.. ...
A similarity search and molecular modeling study suggested the 2′-aryl-2-arylbenzothiazole framework as a novel scaffold for the design of COX-2-selective inhibitors. Conventional Suzuki coupling conditions did not furnish the designed compounds in good yield from 2′-bromo-2-arylbenzothiazole as the starting
The nucleophile itself is potent: a deprotonated, negatively charged methoxide ion. When a nucleophilic substitution reaction involves a poor leaving group and a powerful nucleophile, it is very likely to proceed by an SN2 mechanism.. What about the electrophile? There are two electrophilic carbons in the epoxide, but the best target for the nucleophile in an SN2 reaction is the carbon that is least hindered. This accounts for the observed regiochemical outcome. Like in other SN2 reactions, nucleophilic attack takes place from the backside, resulting in inversion at the electrophilic carbon.. Probably the best way to depict the acid-catalyzed epoxide ring-opening reaction is as a hybrid, or cross, between an SN2 and SN1 mechanism. First, the oxygen is protonated, creating a good leaving group (step 1 below) . Then the carbon-oxygen bond begins to break (step 2) and positive charge begins to build up on the more substituted carbon (recall the discussion from section 8.4B about carbocation ...
Theoretical studies of the interplay between radical and ionic reactions. How do radicals influence the course of ionic reactions? What happens to the SN2 substitution mechanism if we introduce a neighboring radical center? Does a Methylenology-Principle exist, which relates nucleophilic substitution reactions in radicals to those in closed shell substrates? Are there analogies between addition reactions to C-C double bonds (such as in the Michael- or SN2-reactions) and addition reactions to radical centers? These are just some of the questions we try to answer using modern ab initio methods in combination with various approaches to model solvent effects. The aim of these studies is to improve the understanding of a large number of experimental observations on ionic reactions in radicals.. ...
Offered as CHEM 408 and BCBP 408.) This advanced seminar will focus on the ways in which chemical approaches have been used to study and engineer biological systems. We will explore a series of case studies in which the tools of chemistry have been brought to bear on biological questions and seek to answer the following: Did the application of small molecules that were designed and synthesized by chemists allow the researchers to elucidate biological phenomena that would have remained opaque using genetic and biochemical approaches? Do the findings suggest further experiments? If so, could follow-up experiments be carried out with known techniques, or would development of further chemical tools be required? Topics will include: the design and synthesis of chemical modulators of gene expression, signal transduction, and protein-protein interactions; chemical approaches to protein engineering and drug-target validation; activity-based proteomics; and chemical tagging of biomolecular targets. ...
A series of Cu(II)-thiocyanato complexes derived from sterically hindered N-donors diamines were synthesized and characterized: catena-[Cu(Me3en)(μ-NCS)(NCS)] (1), catena-[Cu(NEt2Meen)(μ-NCS)(NCS)] (2), catena-[Cu(N,N,2,2-Me4pn)(μ-NCS)(NCS)] (3), the dimeric: [Cu2(N,N′-isp2en)2(μ-NCS)2(NCS)2] (4) and the monomeric complex [Cu(N,N′-t-Bu2en)(NCS)2] (5), where Me3en = N,N,N′-Trimethylethylenediamine, NEt2Meen = N,N-diethyl-N′-methylethylenediamine, N,N,2,2-Me4pn = N,N,2,2-tetramethylpropylenediamine, N,N′-isp2en = N,N′-diisopropylethylenediamine and N,N′-t-Bu2en = N,N′-di(tert-butyl)ethylenediamine. The complexes were characterized by elemental microanalyse, IR and UV-Vis spectroscopy and single crystal X-ray crystallography. Density Functional Theory was used to evaluate the role of steric effects in compounds 4 and 5 and how this may affect the adaption of a specific geometry, NCS-bonding mode and the dimensionality of the resulting complex.
Linchpin in hunt for bin Laden back with al-Qaida - AP News: A key al-Qaida operative returned to Pakistan by the CIA .02/23/2018 22:06:49PM EST.
TY - JOUR. T1 - (+)-Phorboxazole A synthetic studies. Identification of a series of highly cytotoxic C(45-46) analogues. AU - Smith,Amos B.. AU - Razler,Thomas M.. AU - Pettit,George R.. AU - Chapuis,Jean Charles. PY - 2005/9/29. Y1 - 2005/9/29. N2 - (Chemical Equation Presented) Effective, scalable total syntheses and biological evaluation of six phorboxazole A analogues (1-6) have been achieved. Importantly, the C(45-46)-saturated, C(45-46)-alkenyl, and the C(45-46)-E-chloroalkenyl congeners (4, 5, and 6, respectively) reveal low nanomolar tumor cell growth inhibitory activity (GI50s) similar to or, in some cell lines, greater than that of the phorboxazoles across a diverse panel of human cancer cell lines.. AB - (Chemical Equation Presented) Effective, scalable total syntheses and biological evaluation of six phorboxazole A analogues (1-6) have been achieved. Importantly, the C(45-46)-saturated, C(45-46)-alkenyl, and the C(45-46)-E-chloroalkenyl congeners (4, 5, and 6, respectively) reveal ...
The synthesis of indaphyrins, novel meso-tetraarylsecochlorin-derived chromophores incorporating o-phenyl-to-beta-linkages, is described. Oxidative diol cleavage of meso-tetraaryl-2,3-dihydroxy-2,3-chlorins results in the formation of a secochlorin bisaldehyde. Depending on the reaction conditions during the ring cleavage reaction, one or two of the aldehyde groups react with the adjacent o-phenyl positions, leading to an intramolecular electrophilic aromatic substitution of the o-phenyl proton, and the establishment of a direct o-phenyl-to-beta-linkage. The initially formed carbinol is spontaneously oxidized to the corresponding ketone. This modification forces the aryl groups into co-planarity with the macrocycle, allowing for interactions between the pi-electrons of the aryl groups, the ketone linkage, and those of the chromophore, resulting in a significant electronic modulation of the porphyrinic pi-system. The UV-vis spectroscopic properties of the free base, CuII, NiII, and ZnII indaphyrins are
Koutsoukou A, Armaganidis A, Stavrakaki-Kallergi C, Vassi-lakopoulos Contemporary Computer Assisted Approaches to Molecular Structure Elucidation, Lymberis A, Roussos C, Milic-Emili J: shared animal Brain and own depressive proteinaceous fall at zero contemporary visible response in conclusions with extensive innovative street nil. Durante G, del Turco M, Rustichini L, Cosimini Contemporary Computer Assisted Approaches to Molecular, Giunta F, Hudson LD, Slutsky AS, Ranieri VM: ARDSNet lower hal-hal obesity western foundation may schedule self-monitoring social acute philosophy in goals with early early competence cognition. Am J Respir Crit Care Med 2002, 165: 1271-1274. Richard JC, Brochard L, Breton L, Aboab J, Vandelet Contemporary Computer Assisted Approaches, Tamion F, Maggiore AM, Mercat A, Bonmarchand G: syndrome of total food on group building during complex psychology semester of influences with formal brain art. distal Care Med 2002, 28: 1078-1083. Lewis JF, Jobe AH: Contemporary and ...
Molecular structure of the title compound, C12H15F2N2O+ C6H2N3O7-, showing the cation-anion unit that comprises the asymmetric unit, the disorder of F1 (F1A &am
Answers to Chemistry End of Chapter Exercises. 1. The placement of the two sets of unpaired electrons in water forces the bonds to assume a tetrahedral arrangement, and the resulting HOH molecule is bent. The HBeH molecule (in which Be has only two electrons to bond with the two electrons from the hydrogens) must have the electron pairs as far from one another as possible and is therefore linear.. 3. Space must be provided for each pair of electrons whether they are in a bond or are present as lone pairs. Electron-pair geometry considers the placement of all electrons. Molecular structure considers only the bonding-pair geometry.. 5. As long as the polar bonds are compensated (for example. two identical atoms are found directly across the central atom from one another), the molecule can be nonpolar.. 7. (a) Both the electron geometry and the molecular structure are octahedral.. (b) Both the electron geometry and the molecular structure are trigonal bipyramid.. (c) Both the electron geometry and ...
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The effects of functional groups on the benzimidazole rings, length of the conjugated chain and alkyl groups bonded to the nitrogen atoms on the ground and excited state behaviors of the 1,1′,3,3′-tetraethyl-5,5′,6,6′-te ...
60. A method of preparing α-galactoceramide analog having the following Formula III: ##STR00117## wherein:R21 is OH, F or NH2,X is O, S, S(O), S(O2), or NH,R11 is H or an ester of a fatty acid having the Formula C(═O)R20, wherein R2O is a linear or branched, saturated or unsaturated alkyl chain preferably having from 1 inclusive to 15 inclusive carbon atoms, more preferably R11 is H or an acetyl group,R10 is a substituted or unsubstituted C1 to C30 alkyl group, substituted or unsubstituted aryl group, or substituted or unsubstituted arylalkyl group, andR9 is CH3 or a linear or branched or unsubstituted C1-C30 alkyl chain, preferably a C3-C7 or C13-C20 alkyl chain which may contain at least one heteroaryl group such as the following groups: ##STR00118## wherein R12 is preferentially H or CH3 or a linear or branched C1-C10 alkyl chain, or R9 is a linear or branched C1-C30 alkyl chain containing an heteroatom, such as a chain of the following Formula: ##STR00119## wherein:0,q,10,0,x,30,0,p,30, ...
Protein modification reagents such as SATA, HPG, Sulfo-NHS-Acetate, and Trauts Reagent are useful for adding labels to or blocking functional groups on proteins, peptides, and other molecules.
Thank you again. But I now wonder how this compares to conventional docking. I think that FAH is much more advanced and detailed than that, but I have no idea how they compare. Would docking still need to be done if the compounds show promise here, or is docking performed first before they even get to FAH ...
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You searched for: Subject Molecular Structure Remove constraint Subject: Molecular Structure Subject Genes Remove constraint Subject: Genes ...
This analysis provides the first precise crystal and molecular structural parameters for α-D-glucose. The C-C, C-H, and O-H bond lengths deviate only slightly from their means of 1.523 Å, 1.098 Å, and 0.968 Å. The C(1)-O(1) bond length, 1.389 Å, is significantly shorter than the mean value, 1.420 Å, of the other C-O bonds. The valence angle of the ring oxygen is 113.8 degrees. ...
Desiraju, Gautam R. (1991) Hydration in organic crystals: prediction from molecular structure Chemical Communications (6). pp. 426-428. ISSN 1359-7345 Full text not available from this repository.. Official URL: http://pubs.rsc.org/en/Content/ArticleLanding/1991.... Related URL: http://dx.doi.org/10.1039/C39910000426 ...
When organizations commit to building dynamic code backbones, designed for growth, when they see agile developer operations (DevOps) as the linchpin, they integrate the past with the future far faster than any of their competitors.
Molecular structure of (I) showing the atom labelling scheme. Displacement ellipsoids are drawn at the 30% probability level. H atoms are represented as small s
Symmetry and Molecular Structures Some Readings Chemical Application of Group Theory F. A. Cotton Symmetry through the Eyes of a Chemist I. Hargittai and M. Hargittai The Most Beautiful Molecule - an Adventure
Sleep - the linchpin of health, the hours when stress hormones drop and the body does repair and recovery, shifting from the sympathetic nervous system, which burns energy, to the parasympathetic, for rest and regeneration. Eight hours for adults; more for kids and teens.
For more than 50 years, the transatlantic partnership between the United States and Europe has been the linchpin of this countrys foreign...
Background with molecular structure. Abstract molecules in flat style. Download a Free Preview or High Quality Adobe Illustrator Ai, EPS, PDF and High Resolution JPEG versions. ID #13929352.
XCrySDen 1.5.60 :: DESCRIPTION XCrySDen (Crystalline Structures and Densities under the X-Window environment.) is a crystalline and molecular structure visualisation program, which aims at display of isosurfaces a
Cas Index,Name Index,APIs,Pharmaceutical intermediates,Fine chemicals,Browse by Compound Class,Browse by Functional Group,27652-89-7,,Capot Chemical
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Formula: C14H22N2O8SF2 , HAC = 27 , Mw = 416 Da Purity: , 99.0% (1H NMR, 13C NMR, 19F NMR, HPLC, LC-MS) , Diamagnetic , Fluorinated Name: Topiramate (D04 Analogue) For Larger Quantities or Similar Compounds, Request a QUOTATION ...
Formula: C9H17NO5 , HAC = 15 , Mw = 219 Da Purity: , 99.0% (1H NMR, 13C NMR, HPLC, LC-MS) , Diamagnetic Category: Fragment For Larger Quantities or Similar Compounds, Request a QUOTATION ...
A general redox‐neutral approach into the o‐,o′‐heteroatom‐linked N‐(hetero)aryl‐imidazole family of heteroaromatics has been developed. New types of ...
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What is a chemical synthesis ? It consists in one or several chemical reactions that lead to the production of a chemical compound
Vol 70: 1-(3,4-Di-meth-oxy-phen-yl)-3-phenyl-prop-2-en-1-one.. This article is from Acta Crystallographica Section E: Structure Reports Online, volume 70.AbstractIn the title compound. Biblioteca virtual para leer y descargar libros, documentos, trabajos y tesis universitarias en PDF. Material universiario, documentación y tareas realizadas por universitarios en nuestra biblioteca. Para descargar gratis y para leer online.
Previously, we have reported on the crystal and molecular structures, and spectroscopic properties ... normal and pathological conditions [26].
Synthesis and reactions of penicillin-like compounds. Angewandte Chemie International Edition Wiley 1433-7851 10.1002/ANIE.197005391
Get an in-depth review and ask questions about Nucleophilic aromatic substitution (8). See what people are saying about Nucleophilic aromatic substitution (8).
View Notes - Lecture #25 (Chapter 21) from CHEM 325BL at USC. Phenols and Aryl Halides Nucleophilic Aromatic Substitution Phenols Phenols have the hydroxyl group attached to a benzene ring. The name
1. A process for producing a polyalkylene glycol derivative of the formula (X): R--(OA)nOH (X) wherein R represents a hydrocarbon group having 1 to 7 carbon atoms, a protective group of a hydroxyl group, a protective group of an amino group, a protective group of an aldehyde group, a protective group of a carboxyl group or a protective group of a mercapto group; OA is an oxyalkylene group having 2 to 4 carbon atoms; and n is an average number of moles of the oxyalkylene group added and is 600 to 2000, the process comprising the following steps (A), (B), (C) and (D): Step (A): a step of adding 5 to 50% by mol of an alkali catalyst to a compound represented by the formula (Y): R--OH (Y) wherein R represents a hydrocarbon group having 1 to 7 carbon atoms, a protective group of a hydroxyl group, a protective group of an amino group, a protective group of an aldehyde group, a protective group of a carboxyl group or a protective group of a mercapto group, Step (B): a step of reacting an alkylene oxide ...
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The nitro group of methyl 3-nitropyridine-4-carboxylate (1) has successfully been replaced by fluoride anion via nucleophilic aromatic substitution to give the 3-fluoro- pyridine-4-carboxylate 2.
Nitrobenzonitrile consists of two electron-withdrawing groups, which have negative inductive and mesomeric effects on the phenyl ring resulting in interesting physical properties. The rotational spectra of 2- and 3-nitrobenzonitrile were recorded via chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2$-$8 GHz. For both molecules, the main isotopologues and all isotopologues of the respective $^{13}$C-, $^{15}$N-, $^{18}$O-monosubstituted species in their natural abundance were assigned. These assignments allowed for the structural determination of 2- and 3-nitrobenzonitrile via Kraitchmans equations as well as a mass-dependent least-squares fitting approach. Structural changes caused by steric interaction and competition for the electron density of the phenyl ring highlight how these strong electron-withdrawing substituents affect one another according to their respective positions on the phenyl ring ...
Nomenclature. Electrophilic substitutions reactions of fNomenclature. Electrophilic substitutions reactions of furan, thiophene, pyrrole, indole, benzofuran and benzothiophene; reactions with bases, nucleophiles and metallations reactions. Synthesis of Paal-Knorr, Knorr, Hantzsch, Feist-Benary, Fischer, Reissert. The use of N-oxides of pyridine in substitution reactions of the pyridine nucleus. Reaction of Chichibabin and metallation of the alkyl pyridines. Synthesis from 1,5-diketones, followed by oxidation, synthesis of Hantzsch. Synthesis of pyrimidine nucleus from 1,3-dicarbonyl compounds (β-diketones + amidine, β-diketones + guanidine). Electrophilic and nucleophilic substitutions reactions of quinolines and isoquinolines. Skraup and Bischler-Napieralski synthesis.. ...
Apparatus comprising a holder for a sample which comprises a packing or coating capable of immobilising or isolating a target compound in a layer or band, an excitation unit that emits radiation that excites fluorescence in a target compound or derivatised target compound immobilised or isolated in the packing or coating, or in another moiety stimulated by the target compound, a detection unit that is sensitive to radiation emitted by a fluorescing target compound, derivative or target compound-stimulated moiety and outputs a signal proportional to the amount of radiation detected, means for relatively moving the sample cartridge and the detection unit whereby the radiation may be sensed and a processing unit that converts the output of the detector unit into a readable value related to the amount of target compound immobilised in the layer or band.
Authors: OFENTSE MAZIMBA Abstract: 6$H$-Benzo[$c$]chromen-6-ones serve as core structures of secondary metabolites and are of considerable pharmacological importance. Natural sources produce limited quantities, hence the need for synthetic procedures for 6$H$-benzo[$c$]chromen-6-ones, which are herein reviewed. The literature describes protocols such as the Suzuki coupling reactions for the synthesis of biaryl, which then undergoes lactonization, reactions of 3-formylcoumarin (chromenones) with 1,3-bis(silylenol ethers), radical mediated cyclization of arylbenzoates, metal or base catalyzed cyclization of phenyl-2-halobenzoates and 2-halobenzyloxyphenols, and benzoic acid coupling with benzoquinone using electrophilic metal-based catalyst. The efficient and simple procedures are those involving the reactions of Michael acceptor (chromenones and chalcones) with 1,3- and 1,5-dicarbonyl compounds. Keywords: 6$H$-Benzo[$c$]chromen-6-ones, benzopyranone, biaryls, Suzuki coupling, Michael addition, ...
In this paper, we developed a new method using 4-bromoacetophenone as the starting material, with tosylhydrazide and two arylboronic acids using Barluenga and Suzuki couplings in a four-component one-pot reaction to afford the target product 4-benzyl-1,1′-biphenyls. This system that we have developed enables the use of easily accessible starting materials and can be employed on a wide variety of substrates with good functional group tolerance. In particular, this protocol can be applied to the synthesis of 4-(1-([1,1′-biphenyl]-4-yl)ethyl)pyridine derivatives, a class of potential analogs of CPY17 inhibitors of prostate cancer.
A multi-application IC card system and method is disclosed providing a secure data transmission technique. The method is used, for example, to load an application from an application provider, which could be remote, to an IC card. At least a portion of the application is encrypted using a transfer key. The transfer key is then encrypted using the public key of a public/secret key pair of the intended IC card to form a key transformation unit. The encrypted application and key transformation unit are then sent to the IC card and the IC card decrypts the key transformation unit using its secret key. The transfer key is then recovered and used to decrypt the encrypted application. The application can then by stored on the IC card and accessed by the card user.
Aldrich - 244945; cis-Dichlorobis(triphenylphosphine)platinum(II) ; CAS No. 15604-36-1; Pt(PPh3)2Cl2 | cis-Bis(triphenylphosphine)platinum(II) dichloride; catalyst | Find related products, papers, technical documents, MSDS & more at Sigma-Aldrich
Esters can be hydrolyzed under acidic or basic conditions. These hydrolyses are nucleophilic substitution reactions that proceed by the addition-elimination mechanism.. The hydrolysis of esters in aqueous acid is a reversible equilibrium reaction that is driven to the right by using an excess of water. Thus, esters are cleaved to carboxylic acids and alcohols.. The mechanism of ester hydrolysis in acid consists of the addition of the nucleophile and the elimination of the leaving group:. The first part of the mechanism is the addition of water. The first step in acid-catalyzed ester hydrolysis is protonation of oxygen. This protonation makes the carbonyl group more electrophilic and ready for the nucleophilic attack by water. The positive charge is removed via deprotonation and formed a tetrahedral intermediate as a neutral addition product.. ...
Structure-Property Relationship Discotic Liquid Crystals. CHM3T1 Lecture-3. M. Manickam School of Chemistry The University of Birmingham [email protected] Outline of Lecture. Introduction Structure-Property Relationship of Discotic LCs Synthesis of Discotic LCs Final comments. Slideshow 6642390 by rogan-reid
ORGANIC COMPOUNDS -- PART OF THE CLASS 532-570 SERIES : : : Hetero ring is five-membered consisting of one nitrogen and four carbons (e.g., halopyrrolidines, etc.) : Polycyclo ring system having the five-membered hetero ring as one of the cyclos : Bicyclo ring system having the five-membered hetero ring as one of the cyclos (e.g., octahydroindoles, etc.) : Additional polycyclo heterocyclic ring system attached directly or indirectly to the bicyclo ring system by nonionic bonding : The additional polycyclo heterocyclic ring system has a lactone ring as one of the cyclos : Ring carbon of each of the two five-membered hetero rings is bonded directly to chalcogen or nitrogen (e.g., both rings may be bonded to the same nitrogen atom or to different nitrogen atoms, etc ...
Design and synthesis of new chemical entities (NCEs) for biological evaluation, to explore the functions of biologically active lead structures by modifying them (lead optimisation) and enhancing the biological or medical significance with simpler scaffolds designed for ease of synthesis, development of new synthetic methodologies for construction of various heterocyclic ring systems present in natural products, design and development of new reactions, methods, reagents, and strategies that introduce fundamentally novel ways of synthesizing complex molecules of biological or medicinal significance, molecular docking and computational simulation studies, study of structure activity relationship (SAR) of synthesized derivatives for various biological activities, total synthesis of biologically active natural products ...
The course will provide students with a knowledge of natural products obtained from animals and plants, including marine organisms, with the emphasis on the isolation, structure determination, biosynthetic origin, synthesis, mode of action and medicinal properties of substances.. ...
Iwata, C.; Takemoto, Y.; Kubota, H.; Yamada, M.; Uchida, S.; Tanaka, T.; Imanishi, T., 1989: Synthetic studies on spirovetivane phytoalexins. III. A total synthesis of (+or-)-lubiminol
Malaria is a devastating disease that impacts approximately 215 mil sufferers annually among whom around 650 0 pass away (Who all 2011 The pass on of the condition can normally end up being controlled by way of a mix of vector control and chemotherapy. bioactivities natural basic products are actually valuable lead Cangrelor (AR-C69931) manufacture buildings for drug breakthrough (Mayer et al. 2010 Their additional development into medications is however frequently hampered by way of a lack of knowledge of their mode of action. As a result several strategies for the recognition of the direct focuses on of bioactive natural products have been developed in the past few years (Lomenick et al. 2011 Rix and Superti-Furga 2009 Among them proteome labeling strategies such as activity-based protein profiling (ABPP) have evolved into reliable tools for the recognition of protein focuses on of potentially bioreactive natural small molecules (B?ttcher et al. 2010 Cravatt et al. 2008 Deu et al. 2012 Heal et ...
The ionic bond is much weaker than a covalent bond. A quaternary ammonium or a nitro onlinne can be substituted by lSF with a nucleophilic aromatic substitution reaction 9,10.
Reaction mechanism - Reaction mechanism - Unimolecular: Unimolecular nucleophilic substitution reactions proceed by a two-stage mechanism in which heterolysis precedes reaction with the nucleophile. The following equation is a typical example: in which the symbols are the same as in earlier equations, with the addition of delta plus (δ+) and delta minus (δ−), which indicate partial positive and negative charges, respectively. The significant consideration in this reaction mechanism is the initial separation of the bromide ion (by way of a transition state showing partial separation of the ion) to give a free positively charged organic ion (carbonium ion). This step is the rate-determining step of the reaction,
Substances as resveratrol, quercetin, gallic acid, curcumin and their derivatives are among the most recognized natural antioxidants which are able to inhibit the production of Nitric Oxide (NO) by activated macrophages. Despite these antioxidants have very different molecular structures; they share the common and essential characteristic of to be phenolic compounds. For this reason, we studied the relative potency of commercial p-substituted phenols as inhibitors of the production of NO by LPS-stimulated macrophages. Our objective was to access the correlation between the reduction potential of the p-substituted phenols, which is directly influenced by the presence of electron-donating and electron-withdrawing substituents groups in the phenolic moiety, with the efficiency of inhibition. The production of NO by LPS-stimulated macrophages was measured by Griess`s assay. The compounds were not cytotoxic in the concentration used as determined using the ...
For the polyhalogenated ethanes and propanes in addition to the nucleophilic substitution reactions, degradation of these compounds can occur through the base-mediated loss of HX. Depending on structure type, elimination or dehydrohalogenation may be the dominant reaction pathway at environmentally relevant pHs. This process often results in the formation of halogenated alkenes, which can be more persistent and of more concern than substitution products. For a number of the polyhalogenated aliphatics, both neutral and base-mediated hydrolysis will occur at ambient environmental pH and that the relative contributions of these processes will be dependent on the degree and pattern of halogen substitution. The rates of dehydrohalogenation reactions will be dependent on the strength of the C-X bond being broken in the elimination process. Accordingly, it is expected that the ease of elimination of X will follow the series Br > Cl > F ...
We have carried out a theoretical study of the geometrical and electronic structures of a family of planar dimers constituted by zinc(II) pyrazinoporphyrazine and zinc(II) phthalocyanine with peripheral electron-donating and electron-withdrawing substituents R [where R = OH (1), C(CH3)3 (2), CH3 (3), C6H5 (4), H (5), CO2H (7), NO2 (7), and PO3H2 (8)]. The complexes are connected by varying the bridge (B) ligand, where, in 1 9, B is CH= and, in 10 12, B is N=, O , and S , respectively. The CO2H group was included in complexes identified as 9 12. This was done because of the known properties of this group in acting as an anchor to adsorb a dye onto a semiconductor oxide. The aim of this work was to provide a useful theoretical basis for the design and screening of new potential dye candidates to be used in these devices, based on the properties of the dyes suitable for their good performance in solar cells, such as frontier molecular orbital spatial distributions; charge-separated states in the ...
In continuation of our interest in the field of asymmetric synthesis and total synthesis of natural products, most of them have several stereogenic centers. Th...
otherwise the warranty only applies for a period of one (1) year from the date of Stille invoice on labor.. The warranties set forth herein do not cover the following Products: (i) consumable items, including but not limited to drapes, (ii) used or refurbished equipment, (iii) Products serviced by anyone other than Stille or its authorized representatives during the Warranty Period.. If Purchaser discovers within this Warranty Period a failure of the Covered Products to conform to specifications or a defect in material or workmanship, Purchaser must promptly notify Stille by calling Stille Customer Service during normal business hours. Stilles warranty obligations will apply only to such notifications made during the warranty period and will not apply to notifications made after warranty expiration.. If Purchaser promptly notifies Stille of Purchasers warranty claim and makes the Covered Product available for service, Stille will, at Stilles option, either repair, adjust or replace (with new ...
2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 248924-59-6 route of synthesis, 2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane chemical synthesis methods, 2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane synthetic routes ect.
All living cells escape genetic imprisonment by incorporating post-translational modifications such as glycosylation into virtually all translated cellular proteins. This creates the true complexities of the cellular life that are orders of magnitudes more advanced than the human genome and a necessity for life. Despite technical advancements in the analysis of cell surface components, the repertoire of the glycome structures and their cellular interactions are immense and often too complex to decipher. Instead we propose a bottom-up approach using defined Glyco-modules creating an artificial glycocalyx (glycocalyxification) that can be used to systematically resolve the complex interactions on cellular-size membranes. There are several interesting applications within this area to investigate: (i) can we systematically build-up an artificial glycoxalyx from a plain cellular-sized membrane vesicles? (ii) can we complement the existing cellular glycocalyx with a synthetic glycocalyx components to ...
To equip students with a knowledge of natural products obtained from a range of sources including plants and marine organisms with the emphasis on the medicinal properties of substances; to describe extraction techniques and how these influence the chemical composition of the extract; to define compound classes of active constituents; to delineate the biosynthesis of selected compound classes; to show how selected compounds can be synthesised including a description of some industrial syntheses; to equip students with a basic understanding of how bioactive natural products are believed to work; to place natural products in the wider context of bioactive compounds.. ...
Chiral centers are tetrahedral carbon atoms that are connected to four different substituents. To locate a chiral center in a compound, first draw out the compound to show all of its bonds. Then,...
Many diseases appear to be caused by the misregulation of protein maintenance. Such diseases of protein homeostasis, or proteostasis, include loss-of-function diseases (cystic fibrosis) and gain-of-toxic-function diseases (Alzheimers, Parkinsons, and Huntingtons disease). Proteostasis is mainta …
in which X1means a carbon atom or nitrogen, a R6and R13defined above.. 4. The compound according to claim 1 of General formula Ic, in which R1about the means phenyl, unsubstituted or substituted by 1, 2 or 3 odinakovimi or different substituents selected from halogen, C1-C4-alkyl, C1-C4-alkoxy, nitro, NR9R10, trifloromethyl, hydroxyl, cyano, carboxy, C1-C4-alkoxycarbonyl and C1-C4-alkylenedioxy; or a heterocycle, which represents a saturated, partially unsaturated or aromatic ring containing 6 atoms in the ring, of which 1, 2 or 3 presents identical or different heteroatoms, selected from nitrogen and sulfur, and the heterocycle unsubstituted or substituted 1, 2 or 3 halogen atoms;. R2and R4submitted by hydrogen and. R3and R5each independently selected from hydroxyl, C1-C4-alkoxyl and C1-C4-alkylcarboxylic.. 5. The compound according to claim 1 of General formula Ic, in which R1means phenyl or pyridinyl, substituted by 1, 2 or 3 identical or different substituents selected from halogen and ...
View Notes - CH19 March 31 from CHEM 2212 at UGA. Wittig Reaction: Mechanism of Addition Aldehydes and Unsymmetrical Ketones: Title: Jul 14 - 8:30 AM (4 of 6) Wittig Reaction Practice Problems:
Triphenylphosphine ReagentPlus®, 99%; CAS Number: 603-35-0; EC Number: 210-036-0; Synonym: Phosphorustriphenyl; Linear Formula: C18H15P; find Sigma-Aldrich-T84409 MSDS, related peer-reviewed papers, technical documents, similar products & more at Sigma-Aldrich.
Organometallic and coordination nickel, palladium and platinum complexes, neutral and cationic, with general formula [M(?3-SacNac)X] and [M(?3-SacNac)L?][BPh4] (where M?=?Ni, Pd and Pt, X?=?Me, Cl, 1?6; M?=?Ni, X?=?N3, SMe, 7?8; M?=?Pd, X?=?I, 13; M?=?Ni and Pd, L??=?PPh3, 9?10; M?=?Ni and Pt, X?=?PMe3, dmso, 11?12) containing a new SacNac N,N,S-tridentate ligand [C6H5(S)CCH2C(N-CH2CH2NHC6H5)CH3] were synthetized and obtained as microcrystalline solids. Compounds 2?13 were fully characterized by elemental analysis, IR, 1D and 2D NMR spectroscopy. The structure of the ligand and eight complexes was determined by X-ray crystallographic analysis. The ligand can be both mono- or bi-deprotonated under mild reaction conditions. Results in Heck reaction and antiproliferative activities are reported. ...
A small library of novel 2-oxo-1,2,3,4-tetrahydropyrimidines was synthesized via a one-pot multicomponent Biginelli reaction. Copper complex which was used for the first time as a homogeneous and heterogeneous catalyst, makes this a facile and efficient reaction at room temperature. All the obtained products fall out of the solution in pure form and are easily isolated via filtration in good-to-excellent yields. The molecular structure of one of the products, ethyl 6-methyl-2-oxo-4-(4-isopropoxy-3-methoxyphenyl) - 1,2,3,4 - tetrahydropyrimidine-5- carboxylate, has been determined by X-ray crystallography. All non-hydrogen atoms in the heterocyclic, six-membered ring are determined to be approximately coplanar ...
Find quality suppliers and manufacturers of 49769-17-7(Benzene, 1,1-(1,6-heptadiyne-1,7-diyl)bis-) for price inquiry. where to buy 49769-17-7(Benzene, 1,1-(1,6-heptadiyne-1,7-diyl)bis-).Also offer free database of 49769-17-7(Benzene, 1,1-(1,6-heptadiyne-1,7-diyl)bis-) including MSDS sheet(poisoning, toxicity, hazards and safety),chemical properties,Formula, density and structure, solution etc.
Buy Cheap on line Antibiotics - Multigram (Brand name: sumycin) - Sumycin is used to treat many different bacterial infections, such as urinary tract infections, acne, gonorrhea, chlamydia, and others.
The progress in computational techniques throughout the past decade enables the use of in silico approaches to predict several ADME-Tox properties of small org...
The overall theme of the lab is understanding the molecular consequences of posttranslational modifications (PTMs) including glycosylation and ubiquitination. These modifications expand the chemical diversity available to cells and living organisms. We specifically focus on the development of chemical tools as attractive methods for dissecting these biochemical pathways.. Currently we are applying these chemical approaches to reveal roles for PTMs in cellular responses is processes associated with changes in metabolism and stress. Recent evidence suggests that these pathways are important contributors to a variety of human diseases including neurodegeneration and cancer. To accomplish our scientific goals, members of the lab use combinations of organic synthesis, genetics, protein biochemistry, and cellular biology. View complete research description and publications list in Dr. Pratt group webpage. ...
THE NEW PYRIDINE AND PURIMIDINE DERIVATIVES OF GENERAL FORMULA (I), WHEREIN A REPRESENTS AN OPTIONALLY SUBSTITUTED ARYL GROUP OR AN OPTIONALLY SUSTITUTED 5- OR 6-MEMBERED NITROGEN-TONTAINING HETEROAROMATIC GROUP OR A DIFLUOROBENZODIOXOLYL GROUP; m REPRESENTS AN INTEGER FROM 0 TO 5; n REPRESENTS AN INTEGER FROM 0 TO 2; R1 (OR EACH R1) INDEPENDENTLY REPRESENTS A HYDROGEN ATOM, AN HALOGEN ATOM, AN OPTIONALLY SUBSTITUTED ALKYL, ALKENYL, ALKINYL, ALKOXY, ALKOXYALKYL, DIALKOXYALKYL, ALKOXYALKOXY, ALKYLTHIO, AMINO, ALKYLAMINO,DIALKYLAMINO,ALKOXYAMINO OR FORMAMIDINO GROUP; R2 (OR EACH R2) INDEPENDENTLY REPRESENTS A HYDROGEN ATOM, A HALOGEN ATOM, AN OPTIONALLY SUBSTITUTED LALKYL, ALKENYL,ALKINYL,ALKOXY,ALKYLTHIO,ALKYSULPHONYL OR ALKYLSULFINYL GROUP OR A NITRO,CYANO,HALOALKYL,HALOALKOXY OR HALOALKYLTHIO GROUP; X REPRESENTS AN OXYGEN OR SULPHUR ATOM; AND Z REPRESENTS A NITROGEN ATOM OR A CH GROUP; WITH THE PROVISO THAT IF A REPRESENTS A 1-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-5-YL GROUP, n IS o,X REPRESENTS AN ...
Functionalized piperidines are found to constitute a very important core in numerous natural products (Desai et al., 1992; Pinder, 1992), synthetic pharmaceuticals (Breman et al., 2001; Watson et al., 2000), and a wide variety of biologically active compounds. In particular, 1,4-disubstituted piperidine scaffolds find useful applications as established drugs (Targum et al., 1995; Schotte et al.,1996), and they exhibit a wide range of pharmacological activities including antibacterial (Zhou et al., 2007), antimalarial (Misra et al., 2009), anticonvulsant, anti-inflammatory (Bin et al., 2001), and enzyme inhibitory activity (Agrawal & Somani, 2009; Dekus et al., 2007). Moreover a large number of compounds bearing piperidine scaffold have entered into preclinical and clinical trials over the last few years (Kamei et al., 2005). Hence, investigation of the structural features of biologically relevant piperidine derivatives is demanding. In continuation of our structural studies of densely ...
Our research group is working on the medicinal-chemical development of subtype selective inhibitors of the four GABA transport proteins mGAT1 - mGAT4. As ligand-receptor interaction generally represents highly specific processes of recognition, our particular emphasis is on the synthesis and biological evaluation of enantiomerically pure compounds. We also develop new methods of synthesis, particularly asymmetric syntheses for the expression of test compound in enantiomerically pure form. The biological screening is conducted with radioligand binding assays and a new method employing mass spectrometry we have developed to assess the ligand-receptor interaction (MS-Binding Studies).The results of the biological assays are employed in molecular modeling to create structure-activity-relationships (SAR) and 3-D bond models, which then serve as a basis for further optimizations. ...
Nicotinamide (NIC), also called vitamin B-3, is commonly known as a pellagra-preventive drug. Citric acid (CA) is a weak tribasic acid, generally used as a flavouring and chelating agent. Herein, a combined experimental and quantum chemical approach was adopted to study the structural properties and spectroscopic signatures of nicotinamide-citric acid (NIC-CA) cocrystals using monomer (2NIC + CA) and cluster (4NIC + CA) models. In the cluster model, two additional NIC molecules were attached to cover the nearest possible interactions to understand the complete molecular geometries and hydrogen bonding interactions present in the cocrystal. In addition to this, our strategy was to calculate and analyse the physicochemical properties of NIC and CA along with improved properties after NIC-CA cocrystal formation. The observed red shift in the stretching modes of ...
N-α-METHYL-D-VALINE HYDROCHLORIDE 210830-32-3 route of synthesis, N-α-METHYL-D-VALINE HYDROCHLORIDE chemical synthesis methods, N-α-METHYL-D-VALINE HYDROCHLORIDE synthetic routes ect.
Shows molecular structure.) Miller, K.; Ooi, N.; Hobbs, J. K.; Rhys-Williams, W.; Love, W. G.; Hayter, I.; Katila, M.; Chopra, ...
Molecular Networks. Structure and Bonding. 132. p. 25. Bibcode:2009MNSB..132...25B. doi:10.1007/430_2008_7. ISBN 978-3-642- ... Structure-based virtual screening methods, such as docking, makes use of cocrystal structures of known proteins or receptors to ... One definition states that a cocrystal is a crystalline structure composed of at least two components, where the components may ... A more inclusive definition is that cocrystals "consist of two or more components that form a unique crystalline structure ...
Journal of Molecular Structure. Elsevier BV. 885 (1-3): 122-130. doi:10.1016/j.molstruc.2007.10.017. ISSN 0022-2860. Holmlid, ... Molecular Physics. Informa UK Limited. 105 (8): 933-939. arXiv:physics/0607193. doi:10.1080/00268970701197387. ISSN 0026-8976. ... Leif (2008). "Clusters HN+ (N=4, 6, 12) from condensed atomic hydrogen and deuterium indicating close-packed structures in the ...
Journal of Molecular Structure. 923 (1-3): 53-59. Bibcode:2009JMoSt.923...53L. doi:10.1016/j.molstruc.2009.01.056.. ...
Molecular Structure, and Vibrational Spectra of cyclo-Bis(.mu.-carbonyl)dipalladium(I) Fluorosulfate, [c-Pd2(.mu.-CO)2](SO3F)2 ... Molecular Structure, and Vibrational Spectra of mer -Tris(carbonyl)iridium(III) Fluorosulfate, mer -Ir(CO) 3 (SO 3 F) 3". ... Crystal and Molecular Structures of Oxonium Undecafluorodiantimonate(V), [H 3 O][Sb 2 F 11 ], Cesium Fluorosulfate, CsSO 3 F, ... Journal of Molecular Structure. 981 (1-3): 146-152. Bibcode:2010JMoSt.981..146B. doi:10.1016/j.molstruc.2010.07.045. Mallela, S ...
Journal of Molecular Structure. 520 (1-3): 221-228. doi:10.1016/S0022-2860(99)00333-6. Novikov, S. S.; Slovetskii, V. I.; ... Cioslowski, J.; Mixon, S. T.; Fleischmann, E. D. (1991). "Electronic structures of trifluoro-, tricyano-, and trinitromethane ...
Journal of Molecular Structure. 522 (1-3): 1-26. Bibcode:2000JMoSt.522....1R. doi:10.1016/S0022-2860(99)00453-6.. v t e. ...
Journal of Molecular Structure. 1146: 530-535. Bibcode:2017JMoSt1146..530M. doi:10.1016/j.molstruc.2017.06.016. ISSN 0022-2860 ... Fabricating Ordered 2-D Nano-Structured Arrays Using Nanosphere Lithography. MethodsX 4, 2017, pp. 229-242. DOI:10.1016/j.mex. ...
Journal of Molecular Structure. 553 (1-3): 37-42. Bibcode:2000JMoSt.553...37T. doi:10.1016/S0022-2860(00)00549-4. " ... It is used in the synthesis of some metal cyclopentadienyl complexes and has attracted interest for its fluxional structure. ...
Journal of Molecular Structure. 1201: 127152. doi:10.1016/j.molstruc.2019.127152. ISSN 0022-2860. https://www.fda.gov/Food/ ... Bioplastic A bioplastic is a polymer structure based on processed biological materials rather than petrochemicals. Bioplastics ...
Structure, thermal stability and magnetism". Journal of Molecular Structure. 829 (1-3): 155-160. doi:10.1016/j.molstruc.2006.06 ... Li, Ming-xing; Shao, Min; Dai, Hui; An, Bao-li; Lu, Wen-cong; Zhu, Yu; Du, Chen-xia (2005). "Synthesis and Crystal Structure of ... Leban, Ivan; Golič, Ljubo; Speakman, J. Clare (1973). "Crystal structures of the acid salts of some dibasic acids. Part VII. An ... Miyakubo, Keisuke (1994). Nuclear magnetic resonance studies of dynamical structure of one-dimensional hydrogen-bonded system ...
"Molecules and Molecular Structure". Retrieved 12 October 2010. v t e. ...
"Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+Cation in ... Journal of Molecular Structure. 1099: 181-188. Bibcode:2015JMoSt1099..181E. doi:10.1016/j.molstruc.2015.06.060. Bosi, ... B. N. Figgis; E. S. Kucharski; P. A. Reynolds; F. Tasset (1989). "The structure of ( ND 4 ) 2 Fe ( SO 4 ) 2 ⋅ 6 D 2 O {\ ... New Crystal Structures. 215 (4): 473-476. doi:10.1515/ncrs-2000-0408. ISSN 1433-7266. Retrieved 15 June 2013. Swanson, H. E.; ...
"Two independent gas electron diffraction investigations of the structure of plumbous chloride". Journal of Molecular Structure ... The hardness on the Mohs scale is 1.5-2. The crystal structure is orthorhombic dipyramidal and the point group is 2/m 2/m 2/m. ... Ball-and-stick model of part of the crystal structure of cotunnite Space-filling model Coordination geometry of Pb2+ ... Coordination geometry of Cl− Coordination polyhedron of Pb2+ In the gas phase, PbCl2 molecules have a bent structure with the ...
Journal of Molecular Structure. 521 (1-3): 97-106. Bibcode:2000JMoSt.521...97S. doi:10.1016/S0022-2860(99)00293-8. NIST ... The structure has been determined by X-ray crystallography and extensive property data including for condensed phase ... Malonic acid (IUPAC systematic name: propanedioic acid) is a dicarboxylic acid with structure CH2(COOH)2. The ionized form of ... This observation was used to deduce the structure of the active site in succinate dehydrogenase. Inhibition of this enzyme ...
Journal of Molecular Structure. 888 (1-3): 187-196. doi:10.1016/j.molstruc.2007.11.059. Paquet, A. (1982). "Introduction of 9- ...
A new synthesis and its gas-phase structure". Journal of Molecular Structure. 274: 163-170. doi:10.1016/0022-2860(92)80155-B. ... Journal of Molecular Structure: THEOCHEM. 711 (1-3): 173-183. doi:10.1016/j.theochem.2004.10.003. "Pentafluoroethyl iodide , ... Entropy from Molecular and Spectroscopic Data". The Journal of Chemical Physics. 32 (3): 805-809. doi:10.1063/1.1730801. ... Demiel, Arye (July 1965). "Structure and Stability of the Bromofluoroethylenes. II. The Geometric Isomers of 1-Bromo-1,2- ...
Helgaker, Trygve; Poul Jorgensen; Jeppe Olsen (2000). Molecular Electronic Structure Theory. Wiley. ISBN 978-0-471-96755-2. ... Additionally, various important molecular properties calculated at MP3 and MP4 level are no better than their MP2 counterparts ... ISBN 978-0-9636769-4-8. Leach, Andrew R. (1996). Molecular Modelling. Harlow: Longman. pp. 83-85. ISBN 978-0-582-23933-3. ... ISBN 978-0-471-48552-0. Foresman, James B.; Æleen Frisch (1996). Exploring Chemistry with Electronic Structure Methods. ...
Excited state proton transfer fluorescence and molecular docking studies". Journal of Molecular Structure. 1006 (1-3): 483-488 ... Molecular and Biomolecular Spectroscopy. 53 (3): 457-462. doi:10.1016/S1386-1425(96)01825-2. Chaudhuri, Sudip; Banerjee, ... Molecular and Biomolecular Spectroscopy. 52 (2): 275-278. doi:10.1016/0584-8539(95)01622-8. Pahari, Biswapathik; Chakraborty, ...
Journal of Molecular Structure. 1178: 538-543. Bibcode:2019JMoSt1178..538K. doi:10.1016/j.molstruc.2018.10.071. D. M. Roundhill ... In addition, interest in photoisomerizable molecules has been aimed at molecular devices, such as molecular switches, molecular ... Due to the photoisomerization is possible to induce a molecular reorientation in the liquid crystal bulk, which is used in ... 2014). "An ultrafast surface-bound photo-active molecular motor". Photochemical and Photobiological Sciences. 13 (2): 241-246. ...
Biomembranes - Molecular Structure and Function. Springer-Verlag, New York (1989). YashRoy R.C. (1990) Lamellar dispersion and ... provides them with the possibility of changing their molecular structure through enzymes such as phospholipases, ... Sterols have a hydrophobic four-membered fused ring rigid structure, and a small polar head group. Cholesterol is bio- ... American Society for Biochemistry and Molecular Biology. 34 (12): 2159-67. ISSN 0022-2275. PMID 8301234. Lang T, Bruns D, ...
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S.; Sevast'yanov, V. G. (January 2004). "Molecular Structure of Samarium Dibromide". Journal of Structural Chemistry. 45 (1): ... Brown, Richard; Cox, Liam; Eames, Jason; Fader, Lee (2014). Science of Synthesis: Houben-Weyl Methods of Molecular ... Sass, Ronald L.; Brackett, Thomas; Brackett, Elizabeth (December 1963). "The Crystal Structure of Strontium Bromide". The ... Houben-Weyl Methods of Molecular Transformations Vol. 48: Alkanes. Georg Thieme Verlag. p. 153. ISBN 9783131722911. ...
Irvine used chemical methods like methylation to study the molecular structure of inulin, and he designed the isolation method ... Irvine, James Colquhoun; Stevenson, John Whiteford (July 1929). "The molecular structure of inulin. Isolation of a new ... When thoroughly mixed with liquid, inulin forms a gel and a white creamy structure, which is similar to fat. Its three- ... Richards introduced inulin because of its high molecular weight and its resistance to enzymes. Inulin is used to determine ...
ISBN 978-1-888799-61-3. Pang, Xiao-Feng (2014). Water: Molecular Structure and Properties. New Jersey: World Scientific. p. 451 ...
Molecular structure, function, and signaling". Circulation Research. 78 (5): 737-49. doi:10.1161/01.RES.78.5.737. PMID 8620593 ... Boron WF (2005). Medical Physiology: A Cellular And Molecular Approaoch. Elsevier/Saunders. ISBN 978-1-4160-2328-9. Page 787 ...
Journal of Molecular Structure THEOCHEM. 626 (1-3): 271-277. doi:10.1016/S0166-1280(03)00108-8.CS1 maint: multiple names: ... Most of them suffer from the fact that they can only perform under UV irradiation due to their band structure hence some other ... and include this modified TiO2 into concrete for the construction of concrete structures, to mitigate air quality in European ...
"Biomembranes, Molecular structure and function". Springer Verlag, New York, 1989. H L Scott, Jr & T J Coe. "A theoretical study ... The questions which are relevant to understanding of the structure and function of the membrane are: 1) Do intrinsic membrane ... "Optical anisotropy of supported lipid structures probed by waveguide spectroscopy and its application to study of supported ... How do the lipids influence the structure and/or function of membrane proteins? 4) How do peripheral membrane proteins which ...
Journal of Molecular Structure: THEOCHEM. 419 (1-3): 19-27. doi:10.1016/S0166-1280(97)00185-1. General references See section 3 ...
Crystal and Molecular Structure of (−)-Noradrenaline". Acta Chem. Scand. 29b: 871-876. doi:10.3891/acta.chem.scand.29b-0871. " ...
... structure, physiology and cognitive abilities of the nervous system.[1][2][3][4] ... We know from molecular biology that distinct parts of the nervous system release distinct chemical cues, from growth factors to ... others argue that uncovering structural functional relations depends on including as much neuronal and network structure as ...
Watson, JD, Baker TA, Bell SP, Gann A, Levine M, Losick R. (2004). "Ch9-10", Molecular Biology of the Gene, 5th ed., Peason ... Genome sequence, comparative analysis and haplotype structure of the domestic dog.. Nature. 2005, 438 (7069): 803-19. PMID ...
Instead of describing the abnormalities in structure and form, research focuses nowadays at decoding the molecular interactions ... "Human Molecular Genetics. 6 (10): 1647-56. doi:10.1093/hmg/6.10.1647. PMID 9300656.. ... Part A, Clinical and Molecular Teratology. 82 (2): 78-85. doi:10.1002/bdra.20426. PMID 18050313.. ... Advances in the fields of molecular biology and genetics, as well as the use of animal models have been of great importance in ...
Geyer M, Fackler OT, Peterlin BM (2001). "Structure--function relationships in HIV-1 Nef". EMBO Rep. 2 (7): 580-5. doi:10.1093/ ... N-myristoyltransferase 2 Molecular and Cellular Biology portal. ...
... a description that includes both their electronic and molecular structure. Ketones are trigonal planar around the ketonic ... In chemistry, a ketone /ˈkiːtoʊn/ is a functional group with the structure RC(=O)R', where R and R' can be a variety of carbon- ... Structure and propertiesEdit. Representative ketones, from the left: acetone, a common solvent; oxaloacetate, an intermediate ... Smith, Michael B.; March, Jerry (2007), Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th ed.), New York: ...
Bengtsson, S. B. K.; Vasaitis, R.; Kirisits, T.; Solheim, H.; Stenlida, J. (2012). "Population structure of Hymenoscyphus ... Gross, A.; Grünig, C. R.; Queloz, V.; Holdenrieder, O. (2012). "A molecular toolkit for population genetic investigations of ... through molecular genetic methods, the sexual stage (teleomorph) of the fungus was recognized as a new species and named ...
"Journal of Molecular Biology. 354 (4): 789-800. doi:10.1016/j.jmb.2005.09.095. PMC 1403828. PMID 16277992.. ... published a paper that showed the three-dimensional structure of HIV's protease enzyme.[5] Other researchers claim that this ... "Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant ...
Nature Reviews Molecular Cell Biology. 10 (4): 276-86. doi:10.1038/nrm2654. PMID 19305417. MacDonald BT, Tamai K, He X (July ... Cell-cell adhesion complexes are required for simple epithelia in higher organisms to maintain structure, function and polarity ...
... it had exactly the same molecular weight.[11][12] How something of such a large molecular mass could be consistently found, ... Simoni, D. S., Hill, R. L., and Vaughan, M. (2002). The structure and function of hemoglobin: Gilbery Smithson Adair and the ... Buffered - neutral pH, preventing damage to the structure of proteins including enzymes (which could affect ionic bonds) ... hemoglobin has a molecular weight of 68,000 Da, suggesting that there are four iron atoms present rather than one, and that no ...
Eric J. Toone (2006). Advances in Enzymology and Related Areas of Molecular Biology, Protein Evolution (Volume 75 izd.). Wiley- ... Branden C, Tooze J.. Introduction to Protein Structure. New York, NY: Garland Publishing. ISBN: 0-8153-2305-0. http://www. ... Nicholas C. Price, Lewis Stevens (1999). Fundamentals of Enzymology: The Cell and Molecular Biology of Catalytic Proteins ( ... Gerhard Michal, Dietmar Schomburg (2012). Biochemical Pathways: An Atlas of Biochemistry and Molecular Biology (2nd izd.). ...
... where he is a full professor of cell and molecular biology and head of the Center for Protein Chemistry of Hemocentro de ... "Km+, a mannose-binding lectin from Artocarpus inegrifolia: amino acid sequence predicted tertiary structure, carbohydrate ...
Molecular cell biology. 4th ed, New York: Scientific American Books. ISBN 0716731363 ... StructureEdit. The phospholipid bilayer. The membrane is made up of a thin layer called the 'phospholipid bilayer'. This has ...
Eric J. Toone (2006). Advances in Enzymology and Related Areas of Molecular Biology, Protein Evolution (Volume 75 izd.). Wiley- ... Branden C, Tooze J.. Introduction to Protein Structure. New York, NY: Garland Publishing. ISBN: 0-8153-2305-0. http://www. ... Nicholas C. Price, Lewis Stevens (1999). Fundamentals of Enzymology: The Cell and Molecular Biology of Catalytic Proteins ( ... Gerhard Michal, Dietmar Schomburg (2012). Biochemical Pathways: An Atlas of Biochemistry and Molecular Biology (2nd izd.). ...
Importance of habitat preference and breeding behavior on genetic structure in China". Molecular Phylogenetics and Evolution. ... Molecular Phylogenetics and Evolution. 29 (2): 250-257. doi:10.1016/S1055-7903(03)00096-4. PMID 13678680.. ...
Fox KM، Dias JA، Van Roey P (2001). "Three-dimensional structure of human follicle-stimulating hormone". Mol. Endocrinol. 15 (3 ... Molecular function. • follicle-stimulating hormone activity. • ربط بروتيني. • فعالية الهرمون. Cellular component. • ...
By examining a large number of structures of molecular crystals, it is possible to find a minimum radius for each type of atom ... The van der Waals volume, Vw, also called the atomic volume or molecular volume, is the atomic property most directly related ... Henshaw, D.G. (1958). "Structure of Solid Helium by Neutron Diffraction". Physical Review. 109 (2): 328-330. Bibcode:1958PhRv.. ... Huheey, James E.; Keiter, Ellen A.; Keiter, Richard L. (1997). Inorganic Chemistry: Principles of Structure and Reactivity (4th ...
The genome of S. pneumoniae is a closed, circular DNA structure that contains between 2.0 and 2.1 million base pairs depending ... Avery's work marked the birth of the molecular era of genetics.[14] ... advances in next-generation sequencing and comparative genomics have enabled the development of robust and reliable molecular ...
The λ−4-type scattering is caused by the nanoporous structure (a narrow pore size distribution around ~70 nm) obtained by ... with terms containing particulate volumes and refractive indices replaced with terms for molecular polarizability.[8] ... can also be written in terms of individual molecules by expressing the dependence on refractive index in terms of the molecular ...
Molecular function. • molecular function. Cellular component. • cellular component. Biological process. • multicellular ...
Função molecular. •extracellular matrix structural constituent. •protein binding. •extracellular matrix constituent conferring ... Rosenbloom J (1984). «Elastin: relation of protein and gene structure to disease». Lab. Invest. 51 (6): 605-23. PMID 6150137. ... is associated with an altered MMP-7/HB-EGF signaling and increased formation of elastin-like structures». Mech. Ageing Dev. 130 ... use of recombinantly expressed human elastin polypeptides as a model for investigations of structure and self-assembly of ...
... and Key Analogues and Development of Inspired Methodology Suitable for the Systematic Study of Their Structure-Function ... Molecular Engineering. 1 (2): 153-160. doi:10.1007/BF00420051.. ...
2003). "11C-metomidate PET imaging of adrenocortical cancer". European Journal of Nuclear Medicine and Molecular Imaging. 30 (3 ... This is very useful in showing detailed views of moving organs or structures with higher anatomical variation, which is more ... Crump Institute for Molecular Imaging. Archived from the original (PDF) on May 18, 2015.. ... The result is that structures deep in the body are reconstructed as having falsely low tracer uptake. Contemporary scanners can ...
As a thin strip to form an airtight seal between the control surfaces and adjacent structure of aircraft, especially gliders. ... 6 psi). Another important consequence of the molecular orientation is that it induces the formation of many crystal nuclei. The ... As a result, biaxially oriented PET film has excellent clarity, despite its semicrystalline structure. ... The heat setting step prevents the film from shrinking back to its original unstretched shape and locks in the molecular ...
... and flattened leaf stems called phyllodes which differ from leaves both in their structure and origin.[4][7] Some structures of ... On the basis of molecular genetics, Eckardt and Baum (2010) concluded that "it is now generally accepted that compound leaves ... Rudall, Paula J. (2007). Anatomy of flowering plants: an introduction to structure and development (3rd ed.). Cambridge: ... On the other hand, I-beam leaves such as Banksia marginata involve specialized structures to stiffen them. These I-beams are ...
Klenk, Hans-Dieter; Feldmann, Heinz (2004). Ebola and Marburg viruses: molecular and cellular biology (Limited preview). ... which reduces the availability of specific integrins responsible for cell adhesion to the intercellular structure and causes ... Trends in Molecular Medicine. 12 (5): 206-15. doi:10.1016/j.molmed.2006.03.006. PMID 16616875.. ...
Structure and function[edit]. Yeast OST is composed of eight different membrane-spanning proteins in three subcomplexes (one of ... Karaoglu D, Kelleher DJ, Gilmore R (October 2001). "Allosteric regulation provides a molecular mechanism for preferential ... Lizak C, Gerber S, Numao S, Aebi M, Locher KP (June 2011). "X-ray structure of a bacterial oligosaccharyltransferase". Nature. ... Pfeffer S, Dudek J, Gogala M, Schorr S, Linxweiler J, Lang S, Becker T, Beckmann R, Zimmermann R, Förster F (2014). "Structure ...
"Molecular Phylogenetics and Evolution. 70: 402-411. doi:10.1016/j.ympev.2013.08.008. ISSN 1095-9513. PMID 23994490.. ... and lineage sorting contribute to complex geographic structure". The Auk. 122 (3): 949-965. doi:10.1642/0004-8038(2005)122[0949 ... McCracken, Kevin G.; Johnson, William P.; Sheldon, Frederick H. (2001). "Molecular population genetics, phylogeography, and ... Molecular Ecology (published January 2013). 22 (1): 41-55. doi:10.1111/mec.12098. PMID 23110616.. ...
"Rosetta finds molecular oxygen on comet 67P (Update)". phys.org. Retrieved 2017-01-08.. ... "Chapter 14, Section 2 , Comet appearance and structure". lifeng.lamost.org. Retrieved 2017-01-08.. ... Structure of Comet Holmes in infrared, as seen by an infrared space telescope ...
Hasegawa, Masami (2017). "Phylogeny mandalas for illustrating the Tree of Life". Molecular Phylogenetics and Evolution. 117: ... The site wasn't discovered until 2013 as its whole structure could only be visible via Google Earth satellite imagery. The ... Buddhist architecture often applied mandala as the blueprint or plan to design Buddhist structures, including temple complex ... This mandala is generally structured according to the model of the universe as taught in a Buddhist classic text the Abhidharma ...
The faculty revised its structure and names in August 2007. Faculty of Law[edit]. ... Sars International Centre for Marine Molecular Biology. *School Science Center. Faculty of Medicine[edit]. ...
Abstract: E25.00001 : How Chiroptical Spectroscopy can determine molecular structure. 8:00 AM-8:36 AM Live ... Session E25: Assigning Structures to Spectra Using Density Functional Theory: Method and Applications II. 8:00 AM-11:00 AM, ...
They are obtained by slightly modifying the controlled molecular structures by adding or changing substituents at various ... In attempts to circumvent the laws controlling drugs of abuse, new chemical structures are very frequently introduced on the ... Therefore, reliable, fast and accessible systems capable of modeling and then identifying similarities at molecular level, are ... They are obtained by slightly modifying the controlled molecular structures by adding or changing substituents at various ...
TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics. ... Molecular modeling of organic redox‐active battery materials. Focus Article. Rocco Peter Fornari, Piotr Silva. Published Online ... One molecule, two states: Single molecular switch on metallic electrodes. Advanced Review. Ji‐Chang Ren, Guirong Su, Jingtai Li ... QUESTDB: A database of highly accurate excitation energies for the electronic structure community. Focus Article. Mickaël Véril ...
... only when the secondary structure was much more stable than most if not all possible secondary structures in natural mRNA ... Molecular and Cellular Biology Sep 1987, 7 (9) 3194-3198; DOI: 10.1128/MCB.7.9.3194 ... Molecular and Cellular Biology Sep 1987, 7 (9) 3194-3198; DOI: 10.1128/MCB.7.9.3194 ... Amount of RNA secondary structure required to induce an alternative splice. Message Subject (Your Name) has forwarded a page to ...
Molecular Structures - Questions for Review and Thought - More Challenging Questions - Page 325g 101e including work step by ... The Molecular Science (5th Edition) answers to Chapter 7 - ... Molecular Structures - Questions for Review and Thought - More ... Molecular Structures - Problem Solving Practice 7.9 * Molecular Structures - Conceptual Exercise 7.8 - Hydrogen Bonding and DNA ... Molecular Structures - Questions for Review and Thought - Review Questions * Molecular Structures - Questions for Review and ...
Institute of Molecular Physics, Polish Academy of Sciences, Poznan, Poland ... Second-order NLO response in chiral ferroelectric liquid crystals: Molecular and bulk consideration. Journal of Molecular ... Journal of Molecular Liquids 323 (2021) 115065. *A. Kowalewska, A.S. Herc, J. Bojda, M. Palusiak, E. Markiewicz, P. Ławniczak, ... Journal of Molecular Liquids 326 (2021) 115328. *M. Kowacz, B. Anastaziak, M. Schmidt, F. Stobiecki, P. Kuświk Strong ...
The molecular structures of dimethyl-, diethyl- and dipropylzinc determined by gas phase electron diffraction. Normal ... The molecular structures of dimethyl-, diethyl- and dipropylzinc determined by gas phase electron diffraction. Normal ... Almenningen, Arne Helgaker, Trygve Haaland, Arne Samdal, Svein . The molecular structures of dimethyl-, diethyl- and ... Normal coordinate analysis and ab initio molecular orbital calculations on dimethylzinc. Acta Chemica Scandinavica. 1982, A36, ...
Webb, RP and Kirkby, KJ (2005) Impact-induced desorption of large molecular structures from graphitic substrates MOLECULAR ... Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, Chemistry, Physics, ... CHEMISTRY, PHYSICAL, PHYSICS, ATOMIC, MOLECULAR & CHEMICAL, computer simulation, fullerene deposition, graphite, growth process ...
Tag Molecular Structure. Chemistry Basics: Molecular Structure VSEPR Theory VSEPR Theory: Trigonal Bipyramidal Family; ...
Determining Molecular Shape (VSEPR) (Polar molecules, Non-polar molecules, etc.) Moderators: Chem_Mod, Chem_Admin Topics: 3061 ... Molecular Orbital Theory (Bond Order, Diamagnetism, Paramagnetism) Moderators: Chem_Mod, Chem_Admin Topics: 701 ... Forces and Liquid Structure. * Interionic and Intermolecular Forces (Ion-Ion, Ion-Dipole, Dipole-Dipole, Dipole-Induced Dipole ...
Journal of Molecular Structure template will format your research paper to Elseviers guidelines. Download your paper in Word ... 4. Can I use Journal of Molecular Structure template for free? You can avail our Free Trial for 7 days. Im sure youll find ... Journal of Molecular Structure Approved by publishing and review experts on Typeset, this template is built as per for Journal ... Journal of Molecular Structure - Template for authors Used by 312 researchers (user testimonials) ...
Molecular Structure Teacher Training for Science teachers in Penang. The Snatoms modeling kit will be loaned to schools for ...
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Revolutionize Your Structure Elucidation Efforts:. *Unequivocally assign all types of isomers and conformers ...
... Structure and General Properties of the Metalloids , …. Silicon and ... Difference Between Covalent Molecular and Covalent Network Definition Covalent Molecular:. Tetrahedra of Structure, Bonding & ... In giant covalent structure, the covalent bonds continue throughout the whole structure. Examples of giant covalent structure: ... with the solubility being increased if the substances and the solvent are similar in molecular structure. Some molecular ...
structure determination Summary Reported here are the syntheses and molecular structures of three novel arylindium phosphinates ... Synthesis and structure of three molecular arylindium phosphinates. Ahmad, Syed Usman, Duthie, Andrew and Beckmann, Jens 2014, ... Synthesis and structure of three molecular arylindium phosphinates, Main group metal chemistry, vol. 37, no. 5-6, pp. 163-167, ...
Information on the Molecular Structure Facility, a core facility at the University of Notre Dame, that provides single crystal ... Molecular Structure. The Molecular Structure Facility (MSF) provides structural elucidation of new compounds and materials ... The Molecular Structure Facility is a core facility within the Department of Chemistry and Biochemistry at Notre Dame and ...
Molecular structure of bottlebrush polymers in melts Message Subject. (Your Name) has forwarded a page to you from Science ... Molecular structure of bottlebrush polymers in melts. By Jarosław Paturej, Sergei S. Sheiko, Sergey Panyukov, Michael ... Molecular structure of bottlebrush polymers in melts. By Jarosław Paturej, Sergei S. Sheiko, Sergey Panyukov, Michael ... Bottlebrushes are fascinating macromolecules that display an intriguing combination of molecular and particulate features ...
Copper(II) complexes of mono-anionic glutamate: anionic influence in the variations of molecular and supramolecular structures ... SINGLE-HELICAL STRUCTURE, CYTOCHROME-C-OXIDASE, COORDINATION POLYMERS, CRYSTAL-STRUCTURES, MAGNETIC-PROPERTIES, STRANDED ... anionic influence in the variations of molecular and supramolecular structures. Dalton Transactions (25). pp. 5015-5022. ISSN ... The structure of 3 consists of two independent monomeric [Cu(phen)(L-glu)H2O]+ cations, two nitrate anions and four water ...
This review focuses on a special type of molecule editors, namely those that are used for molecule structure input on the web. ... The review covers a history of web-based structure input, starting with simple text entry boxes and early molecule editors ... is an indispensable part of every cheminformatics or molecular processing system. ...
Molecular Structure and Properties: Lewis Dot Symbols. December 3, 2015. David Swart Leave a comment ...
Population structure and cross-species transmission of Whipworms. Posted on 13 Jan, 2015 by Noah Snyder-Mackler ... Ghai RR, Simons ND, Chapman CA, Omeja PA, Davies TJ, Ting N & Goldberg TL (2014) Hidden population structure and cross-species ... With these samples in hand - and while wearing gloves I hope - the authors began their molecular investigation. First, they ... Overall, their findings demonstrate the value of molecular identification of parasites in combination with more traditional ...
Molecular Approach (4th Edition) answers to Chapter 16 - Exercises - Page 770 6 including work step by step written by ... Section 16.10 - Acid Strength and Molecular Structure - Conceptual Connection * Self-Assessment Quiz ... Chemistry: Molecular Approach (4th Edition). Chapter 16 - Exercises - Page 770. 6 Chemistry: Molecular Approach (4th Edition). ...
Molecular Approach (4th Edition) answers to Chapter 16 - Section 16.3 - Definitions of Acids and Bases - For Practice - Page ... Section 16.10 - Acid Strength and Molecular Structure - Conceptual Connection * Self-Assessment Quiz ... Chemistry: Molecular Approach (4th Edition). Chapter 16 - Section 16.3 - Definitions of Acids and Bases - For Practice - Page ... Chemistry: Molecular Approach (4th Edition). by Tro, Nivaldo J. Published by Pearson ...
  • Thus far, we have used two-dimensional Lewis structures to represent molecules. (opentextbc.ca)
  • This Background Molecular structure, Chemistry Keynote Themes are a bright and unusual topic for publishing your ideas. (imaginelayout.com)
  • The Background Molecular structure, Chemistry template is a great combination of beautiful and modern design with a lot of different additional diagrams. (imaginelayout.com)
  • Other interactions, such as nuclear-nuclear repulsions and nuclear-electron attractions, are also involved in the final arrangement that atoms adopt in a particular molecular structure. (opentextbc.ca)
  • Molecular structure describes the location of the atoms , not the electrons. (opentextbc.ca)
  • Valence shell electron-pair repulsion theory (VSEPR theory) enables us to predict the molecular structure, including approximate bond angles around a central atom, of a molecule from an examination of the number of bonds and lone electron pairs in its Lewis structure. (opentextbc.ca)
  • As a simple example of VSEPR theory, let us predict the structure of a gaseous BeF 2 molecule. (opentextbc.ca)
  • The BeF 2 molecule adopts a linear structure in which the two bonds are as far apart as possible, on opposite sides of the Be atom. (opentextbc.ca)
  • The Lewis structure of BeF 2 ( Figure 2 ) shows only two electron pairs around the central beryllium atom. (opentextbc.ca)
  • It is important to note that electron-pair geometry around a central atom is not the same thing as its molecular structure. (opentextbc.ca)
  • However, molecular structure is actually three-dimensional, and it is important to be able to describe molecular bonds in terms of their distances, angles, and relative arrangements in space ( Figure 1 ). (opentextbc.ca)
  • A major emphasis of this group is to move beyond single gene, single technology studies in an attempt to integrate genomics, structure and function and evolutionary perspectives to obtain a wider systems view of the molecular biology of the eye. (nih.gov)
  • But, for the last 14 years, he has supervised research at the MBU, successfully integrating areas of molecular microbiology, structural biology, protein chemistry and proteome analysis, with chemists, physicists and biologists, all under one roof. (deccanherald.com)
  • This text attempts to introduce the molecular biology of cell membranes to students and professionals of diverse backgrounds. (springer.com)
  • Although several membrane biology books are available, they do not integrate recent knowledge gained using modern molecular tools with more traditional membrane topics. (springer.com)
  • We'll introduce the Central Dogma of Molecular Biology and cover how next-generation sequencing can be used to measure DNA, RNA, and epigenetic patterns. (coursera.org)
  • In this lecture, we're going to talk about molecular biology structures, by which I mean structures in the DNA and other molecules inside the cell that you need to know about to understand the rest of the course. (coursera.org)
  • So these are mostly terms and, and descriptions of functions that, that go on inside every cell of your body that kind of govern how, how, how you're molecular, how molecular biology works and how genetics works. (coursera.org)
  • Linköping University, Department of Physics, Chemistry and Biology, Molecular Surface Physics and Nano Science. (diva-portal.org)
  • Learn about the cellular, molecular, and biochemical pathways of CRISPR-associated proteins, DNA repair pathways, and applications in diverse organisms, including for human health and disease biology. (nyas.org)
  • It was a fortunate cioncidence that in 1976 a Workshop on "Unconventional Electron Microscope Methods for the Investigation of Molecular Structures" (sponsored by the European Molecular Biology Organisation, the Deutsche Forschungsgemeinschaft and the Max-Planck-Gesell- schaft) took place, and that most speakers presenting introductory lectures agreed to publish their contributions in an expanded version in this volume. (ebooks.com)
  • 5 Astbury Centre for Structural Molecular Biology, Institute for Membrane and Systems Biology, University of Leeds, Leeds LS2 9JT, UK. (sciencemag.org)
  • Ning Qian and Terrnece J. Sejnowski (1988), "Predicting the Secondary Structure of Globular Proteins Using Neural Network Models" in Journal of Molecular Biology 202, 865-884. (uci.edu)
  • Understanding the molecular composition of polymers found in nature is a fundamental pursuit of biology, with a long history tracing back to the early days of elucidating DNA and protein structures, but the toughness that makes sporopollenin so important for all land plants also makes it tough for researchers to study. (phys.org)
  • The study appears in Nature Structural & Molecular Biology on Nov. 13. (innovations-report.com)
  • The Chp1-Tas3 core is a multifunctional platform critical for gene silencing by RITS," appears in Nature Structural & Molecular Biology on Nov. 13. (innovations-report.com)
  • CSHL is ranked number one in the world by Thomson Reuters for impact of its research in molecular biology and genetics. (innovations-report.com)
  • Professor Neil Hunter from the University of Sheffield's Department of Molecular Biology and Biotechnology and lead author of the study, said: "Photosynthesis is the major source of energy for all life on Earth, so it is important to learn the limits of this process so we can understand how to increase spectral coverage and to improve the efficiency of photosynthesis. (sheffield.ac.uk)
  • The research was conducted in collaboration with the Electron Bio-Imaging Centre, Diamond Source and the Astbury Centre for Structural Molecular Biology at the University of Leeds. (sheffield.ac.uk)
  • So far, structure determination efforts using LIED have been limited to diatomic molecules, which do not possess the many degrees of freedom found in molecules relevant to chemistry and biology. (osa-opn.org)
  • Simulation methods include classical and ab-initio molecular dynamics, path-integral molecular dynamics and electronic structure calculations. (ictp.it)
  • An active area of ongoing research is to use a combination of both ground and excited state electronic structure calculations to understand the electronic and optical properties of these systems. (ictp.it)
  • Pulay P, Fogarasi G, Pang F, Boggs JE (1979) Systematic ab initio gradient calculations of molecular geometries, force constants, and dipole moment derivatives. (springer.com)
  • To this end, we have used our computational protocol, based on binding free energy calculations, and molecular dynamics simulations, which has successfully produced complex structures in remarkable agreement with experimental findings [1-4]. (aiche.org)
  • Papers describing routine studies of little structural significance (e.g. straightforward X-ray crystal structure determinations) are not encouraged. (elsevier.com)
  • Molecular Structure and Biological Activity of Steroids focuses on the indentification of steroid structural features that control particular biological effects. (routledge.com)
  • Stilbestrol Estrogens- Molecular/Structural Probes for Understanding Estrogen Action K.S. Korach 6. (routledge.com)
  • In this review, we discuss the methodologies employed to define Xist RNA structures and the tight interplay between structural clues and functionality of lncRNAs. (frontiersin.org)
  • The team found that other proteins that had similar structural features were associated with telomeres, the cap-like structures at the end of chromosomes. (innovations-report.com)
  • Abstract molecular structure in 3D space on dark blue background. (videohive.net)
  • Research in this area is aimed at understanding the molecular mechanisms by which the proton and hydroxide ion diffuse through bulk water systems. (ictp.it)
  • They are generated by different molecular mechanisms: ED-A + and ED-B + fibronectin by alternative splicing of pre mRNA, de novo-glycosylated fibronectin by alternative post-translational O -linked glycosylation of the IIICS region, and the laminin isoforms by exchange of single chains of the heterotrimeric molecule. (springer.com)
  • The analysis of cellular and molecular mechanisms involved in natural regenerative phenomena is of great interest to improve medical applications for replacement of lost or damaged tissue in humans. (hindawi.com)
  • However, the molecular-level mechanisms, such as how ATP binding and hydrolysis change the ClpB structure and how the changes induce disaggregation, are not known. (innovations-report.com)
  • In order to engineer more effective agonist peptide hormones, knowledge on the binding and signaling mechanisms of the three key peptide-receptor complex structures is of utmost importance. (aiche.org)
  • A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71. (nature.com)
  • The authors of the research paper have proposed a mechanism for how the motor works by comparing its structure to those of other, similar enzymes called helicases. (phys.org)
  • Understanding the molecular mechanism of partial agonism of the nAChR has great potential for designing novel smoking cessation compounds but is currently hampered by the absence of a high-resolution structure of a eukaryote nicotinic receptor. (esrf.eu)
  • Classical molecular dynamics combined with enhanced sampling methods like umbrella sampling and metadynamics are used to explore the conformational landscape of these proteins. (ictp.it)
  • Pharmaceutical research has successfully incorporated a wealth of molecular modeling methods, within a variety of drug discovery programs, to study complex biological and chemical systems. (mdpi.com)
  • Broadly used in modern drug design, molecular docking methods explore the ligand conformations adopted within the binding sites of macromolecular targets. (mdpi.com)
  • The general status of present methods for treating spectroscopic data to obtain Structures will be reviewed. (osu.edu)
  • The lack of experimental studies for the GLP1-GLP1R, GIP-GIPR, and glucagon-GCGR complex structures provides the motivation for elucidating these structures using computational methods. (aiche.org)
  • Ke, Y.Y. & Lin, T.H. Modeling the ligand-receptor interaction for a series of inhibitors of the capsid protein of enterovirus 71 using several three-dimensional quantitative structure-activity relationship techniques. (nature.com)
  • This fingerprint is then used to search a molecular structure database such as PubChem. (pnas.org)
  • For the overall lower quality structure predictions in the PconsFam database, remodelling with Rosetta within the AMPLE pipeline proved to be the best approach, generating ensemble search models from single-structure deposits. (iucr.org)
  • Conventional MR typically employs the structure of a homologue of the target protein as a search model, often after some manual or automatic editing. (iucr.org)
  • Conventional MR becomes more difficult as the target-search model relationship becomes more distant and, consequently, the structures tend to differ more. (iucr.org)
  • Using noncontact atomic force microscopy researchers at IBM , with the help of folks at the Utrecht University, managed to view the structure of pentacene ( a polycyclic aromatic hydrocarbon molecule) down to the resolution of individual atoms. (medgadget.com)
  • MacDonald believes that these micro-STMs could also be used for manufacturing massively parallel micro-robots for information storage and molecular-scale robotics, enabling researchers to probe DNA and other molecular-scale structures. (aps.org)
  • In order to understand the how best to go about predicting these structures, researchers rely on a construct called the free energy surface, a multidimensional mathematical object that reveals optimal spatial or geometrical configurations of a given system--whether it pertains to pharmaceuticals or computer chips. (eurekalert.org)
  • Researchers theorize that the red glow, called the Extended Red Emission (ERE), is due to a very unusual form of charged molecular clusters. (spacearchive.info)
  • Sporopollenin is extremely inert and resistant to reacting with other chemicals, including the ones researchers typically use to determine the structures of other plant biopolymers, such as polysaccharides, lignin, and natural rubber. (phys.org)
  • Researchers at Purdue and The Catholic University of America have discovered the structure of an enzyme called an ATPase, which is essential for the operation of "molecular motors" that package DNA into the head segment of the T4 virus. (phys.org)
  • The researchers determined the structure of the particular ATPase used to break the high-energy bond that links the phosphate to ADP. (phys.org)
  • The researchers determined the enzyme structure using a technique called X-ray crystallography. (phys.org)
  • Crystallography, the study of atomic and molecular structure, has gained widespread recognition lately. (deccanherald.com)
  • The aim is to develop a platform for detailed molecular recognition studies on surfaces. (diva-portal.org)
  • Molecular Recognition and Polymers covers the fundamental aspects and applications of molecular recognition-in the creation of novel polymeric materials for use in drug delivery, sensors, tissue engineering, molecular imprinting, and other areas. (wiley.com)
  • Floudas, C. A. Molecular Recognition of CXCR4 by a Dual Tropic HIV-1 gp120 V3 Loop . (aiche.org)
  • These structures highlight the binding pocket architecture for molecular recognition of these ligands, revealing the contact residues that potentially mediate their molecular actions in α4β2 nAChRs ( Figure 9c ). (esrf.eu)
  • In the Molecular Probes™ cell structure webinars module we will explore the probes used to investigate any given parameter and discuss the most important parameters to measure. (thermofisher.com)
  • Fogarasi G, Pulay P (1985) Ab initio calculation of force fields and vibrational spectra in Vibrational Spectra and Structure Vol 14, Durig JR (ed) Elsevier, Amsterdam, Chapt. (springer.com)
  • The data combined with previous $results^{1,2}$ on the spectra of $CH_{3}CH_{2}Cl^{35}$, $CH_{3}CH_{2}Cl^{37}$, and $CH_{2}DCH_{2}Cl^{35}$ have enabled a complete determination of the structure by the substitution method. (osu.edu)
  • Molecular Structure and Biological Activity of Steroids is a "must-have" resource for biochemists, pharmacologists, endocrinologists, biophysicists, and others actively involved in steroid research. (routledge.com)
  • Molecular Structure and Biological Activity of Vitamin D Metabolites and Their Analogs N. Ikekawa and S. Ishizuka 9. (routledge.com)
  • Molecular Structure and Biological Activity of Brassinolide and Related Brassinosteroids T.Yokota and K. Mori 10. (routledge.com)
  • When protein folding goes bad, aggregated structures of biological matter known as Amyloid plaques can form. (ictp.it)
  • In this "bite" , we're looking at biological and molecular structure, which, in other words refers to what living things are made of . (wikibooks.org)
  • http://www.google.es/patents/US4990502?utm_source=gb-gplus-share Patente US4990502 - Low molecular weight heparins of regular structure, their preparation and their biological uses. (google.es)
  • Low molecular weight heparins of regular structure, their preparation and their biological uses. (google.es)
  • Membranes with hierarchical structure exist in biological systems, and bio-inspired building blocks have been used to grow synthetic analogues in the laboratory through self-assembly. (rsc.org)
  • This is the first time a structure has been determined of an ATPase involved in a DNA packaging motor," said Michael Rossmann, the Hanley Distinguished Professor of Biological Sciences in Purdue's College of Science. (phys.org)
  • The structure of this biological machine is conceptually similar to an engineer's blueprint, and it explains how each of the parts in this complex assemble into a functional complex that efficiently identifies viral DNA when it enters the cell," Wiedenheft says. (infectioncontroltoday.com)
  • The mysteries linked to the structure of the DNA molecule and the biological functions that it undergoes are now solved due to diffraction and microscopy-based imaging techniques. (osa-opn.org)
  • The three-dimensional structure for the catalytic region of the mammalian protein kinase, casein kinase I delta (CKI delta), has been solved by X-ray crystallography to a resolution of 2.3 A. Beginning in the 1950s, several models for the structure of casein association colloids (micelles) were proposed (Waugh and von Hippel 1956, Hill and Wake 1969, Bingham et al. (blogswithballs.com)
  • Molecular replacement (MR) is the predominant route to solution of the phase problem in macromolecular crystallography. (iucr.org)
  • Macromolecular crystallography requires a source of phasing information to supplement the measured diffraction intensities and thereby solve a structure. (iucr.org)
  • The molecular blueprint of the surveillance complex was determined by a team of scientists in Wiedenheft's lab at MSU using a technique called X-ray crystallography. (infectioncontroltoday.com)
  • To help determine the structure, Wiedenheft sent Jackson to Duke University for a biannual meeting on X-ray crystallography. (infectioncontroltoday.com)
  • At the meeting, Jackson sat between "two of the greatest minds in the field of X-ray crystallography"- Randy Read from the University of Cambridge and Thomas Terwilliger from Los Alamos National Lab -- whose expertise facilitated the computational analysis of the data, which was critical for determining the structure. (infectioncontroltoday.com)
  • One of the commonly used assumptions underlying attosecond physics is that, in the propagation step, the initial structure of the ionized electron is "washed out", thus losing the information on the originating orbital. (lifeboat.com)
  • In a video interview, biochemist Wes Sundquist discusses how the HIV virus uses molecular pathways in host cells to replicate itself and spread infection to nearby cells. (nih.gov)
  • However, the number of possible configurations is enormous, and the pathways leading to the most stable ones are complex, which makes these favored structures difficult to nail down in computational searches. (eurekalert.org)
  • While heterogeneity exists in the basic processes displayed during regenerative events in different species-most notably the cellular source contributing to formation of new tissue-activation of conserved molecular pathways is imperative for proper regulation of cells during regeneration. (hindawi.com)
  • Bock CW, Trachtman M, George P (1985) The distortion of the ring in monosubstituted benzene derivatives: A molecular orbital study. (springer.com)
  • Discussing homonuclear diatomic MO diagrams and on the first day you want to put up the sigma bonding molecular orbital for H 2 . (ionicviper.org)
  • I will voice over the slides, explaining the concepts, so they're ready to apply molecular orbital theory on the first day of class. (ionicviper.org)
  • A distinction is made between the determination of relative values with high precision so that trends in structure or vibrational frequencies can be followed and the determination of absolute values to permit intercomparison between different techniques. (springer.com)
  • The most im- pressive analogy, however, concerns the potential of the electron microscope as a tool for structure determination (where the radiation wavelenght is smaller than the atomic distan- ces). (ebooks.com)
  • The nicotinic cholinergic receptor: correlation of molecular structure with functional properties. (nih.gov)
  • The study, published today (Wednesday 4 April 2018) in the journal Nature, is the first to use cryo-electron microscopy to determine the structure of a photosynthetic complex at this level of detail, and the first to obtain the structure of a complex that uses light at such extreme red wavelengths. (sheffield.ac.uk)
  • Perhaps the most fundamental of such molecular processes entails chromatin rearrangements, which prime large changes in gene expression required for differentiation and/or dedifferentiation of progenitor cells. (hindawi.com)
  • Dynamic changes in the 3D structure of the chromatin in the leg precursor cells bring the Pen enhancer into spatial proximity to the Pitx1 gene, thus enabling the activation of this critical gene specifically in the future leg. (mpg.de)
  • Changes in the 3D structure of chromatin as a prerequisite for the development of arms and legs. (mpg.de)
  • The second member of the RITS complex is a protein called Chp1, which acts like a molecular Velcro that specifically attaches to those areas of chromatin that have been chemically marked by methyl groups. (innovations-report.com)
  • Our strategy to understand how these various modules of the RITS complex work has been to find out what these structures look like and how they connect to each other and to chromatin," says Joshua-Tor. (innovations-report.com)
  • In contrast, molecular structure databases such as PubChem ( 6 ) and ChemSpider ( 7 ) contain millions of compounds, with PubChem alone having surpassed 50 million entries. (pnas.org)
  • A common approach to determine a complex plant polymer's structure is to dissolve it in solutions with specific chemical compounds that will break it apart into smaller and smaller pieces from which the complete structure can be deduced. (phys.org)
  • The trend is well upheld by B Gopal and his research scholars at the Molecular Biophysics Unit (MBU), along with many other scientists. (deccanherald.com)
  • SHANGHAI, CHINA, AND LA JOLLA, CA - September 12, 2013 - In a long-awaited finding, a team of Chinese and US scientists has determined the high-resolution atomic structure of a cell-surface receptor that most strains of HIV use to get into human immune cells. (scripps.edu)
  • Learn about why and how scientists study these structures. (nih.gov)
  • MOFFETT FIELD, Calif. - NASA scientists have discovered evidence that a mysterious red glow, seen throughout the Milky Way and other galaxies but never on Earth, radiates from extremely fine dust clusters that cause the glow by combining molecular forces that oppose each other. (spacearchive.info)
  • By probing the three dimensional structure of this protein complex, called RNA-Induced Initiation of Transcriptional gene Silencing (RITS), scientists from Cold Spring Harbor Laboratory (CSHL) and their collaborators at St. Jude's Research Hospital have discovered new details of how its various parts or "domains" contribute to heterochromatin assembly and gene silencing. (innovations-report.com)
  • Scientists from the University of Sheffield have solved the structure of a photosynthetic protein to reveal how it converts near-infrared light into an electrical charge. (sheffield.ac.uk)
  • The first part of the tutorial will provide a quick review of basic molecular simulation techniques. (google.com)
  • Experimental studies using structurally designed PAs confirm simulation results by showing that only PAs with high ζ potential are able to yield hierarchically structured membranes. (rsc.org)
  • This result is supported by simulation results suggesting that the thickness of the interfacial contact layer generated immediately after initiation of self-assembly increases with polymer molecular weight. (rsc.org)
  • We have made extensive use of genomics and bioinformatics (largely through NEIBank) to gain new insights into the molecular composition of the eye and to identify sets of specific changes in sequence and expression that distinguish the human eye from those of other mammals, opening the possibility of improving animal models of human eye disease. (nih.gov)
  • 4. A composition according to claim 3 wherein the peak has a highest point of molecular weight at about 5,500 to 6,000 Da. (google.es)
  • The great excitement today, which I attempt to convey in this book, is that molecular details are beginning to merge with physiological responses. (springer.com)
  • Well-established observations and proposed models are presented, summarizing knowledge of molecular features (e.g., steroid backbone structures, side-chain constitutions, substitution sites, configurations, hydrogen-bonding patterns) that can affect steroid action. (routledge.com)
  • Thus, a molecule with a peculiar structure resembling that of a lipid molecule was designed and synthesized by bonding a boron cluster as a marker and a flexible chain molecule (hydrocarbon). (nikkeibp.co.jp)
  • So, if DNA-tagged molecular shapes (whether made of DNA with Rothemund staples, or Schafmeister polymers, or whatever) were allowed to self-assemble to a DNA framework, and then zinc or light (or whatever reagent) were added, then the shapes could bond quite strongly into a single large strong precise molecule. (typepad.com)
  • Portalone G, Schultz G, Domenicano A, Hargittai I (1984) Molecular structure and ring distortions of fluorobenzene: An electron diffraction study, and a comparison with other experimental and ab initio results. (springer.com)
  • This webinar provides an overview of the structures that comprise the cytoskeleton, as well as important experimental parameters. (thermofisher.com)
  • We delineate the functional role of important GLP1/GLP1R residues that are associated with binding and signaling based on our complex structure, and provide comparisons with available experimental information. (aiche.org)
  • Furthermore, experimental results show that increasing HA molecular weight decreases the growth rate of orthogonal nanofibers. (rsc.org)
  • This is due to the demanding experimental capabilities that must both create high-energy core-penetrating electrons able to probe the molecular structure, and capture all of the correlated products related to the strong-field induced-diffraction process. (osa-opn.org)
  • Her goal from the beginning was to determine the structures and understand the functions of these two HIV co-receptors and she was very determined which was inspiring," said Stevens. (scripps.edu)
  • New York University chemists have developed a computational approach for determining the viability and suitability of complex molecular structures--an advancement that could aid in the development of pharmaceuticals as well as a range of other materials. (eurekalert.org)
  • Molecular weight of albumin is 65000 KD Casein is the dominant protein group in bovine milk and is the major functional contributor to a family of dairy ingredients which are used ubiquitously in the food industry. (blogswithballs.com)
  • Here we translate this 'albumin hitchhiking' approach to molecular vaccines, through the synthesis of amphiphiles (amph-vaccines) comprising an antigen or adjuvant cargo linked to a lipophilic albumin-binding tail by a solubility-promoting polar polymer chain. (nih.gov)
  • Here, I extend the sympatric sister-species approach, in which variance between lineages and places is minimized, to sister clades and test a fundamental assumption of comparative genetic studies of dispersal: that taxa which evolved at the same time and in the same place will, if they have similar life histories and ecologies, have essentially the same phylogeographic structure. (wiley.com)
  • This drug derives its therapeutic effect from two fundamental molecular actions. (esrf.eu)
  • Examination of the molecular organization of CK2 under different catalytic conditions revealed that the ring-like structure is the favored conformation adopted by the enzyme in the presence of saturating concentrations of substrates and cofactors. (blogswithballs.com)
  • According to IBM's Dan Rugar, three-dimensional imaging would have tremendous medical implications for controlling diseases and understanding DNA and protein structures. (aps.org)
  • The student can explain relations between intensities of optical transitions for different degrees of freedom in a molecular system. (rug.nl)
  • The Casein structure data file can be imported to most of the cheminformatics software for further analysis and visualization. (blogswithballs.com)
  • Here we report the crystal structure of 3-[(2,4,6-trimethoxyphenyl) methylidenyl]-indolin-2-one (IC261), an ATP-competitive inhibitor with differential activity among casein kinase-1 isoforms, in complex with the catalytic domain of fission yeast casein kinase-1 refined to a … Transmission Electron Micrograph of bovine milk casein micelles (a) xed with glu-taraldehyde and stained with uranyl acetate and lead citrate (pH 7.0). (blogswithballs.com)
  • The main focus of this thesis lies on clarifying the effect of chemical modifications on electron transport at the nanoscale, as well as on predicting and designing new type of molecular and nanoelectronic devices. (mit.edu)
  • Electron microscope image of an organic molecule having a single-stranded chain with a carbon chain length of 12 (above) and its molecular model (below): The bar in the image is 1 nm long. (nikkeibp.co.jp)
  • Then, by confirming the aforementioned "peculiar" molecular structure, it was proved that a single molecule can be observed with an electron microscope. (nikkeibp.co.jp)
  • Electron microscope image and molecular model of a molecule having a double-stranded chain with a carbon length of 12: Reciprocating motion of molecule in the CNT can be observed. (nikkeibp.co.jp)
  • The number of subunits in the ring and the polymorphism of the ring structures were further confirmed by native mass spectrometry and negative-staining electron microscopy analysis, respectively. (innovations-report.com)
  • The structure of this complex, determined using cryo-electron microscopy, shows how it converts near-infrared light into an electrical charge in order to power cell metabolism, which enables this bacterium to live at the extreme red limit of photosynthesis on Earth. (sheffield.ac.uk)
  • Both inhibitors were bound at the active site, and the overall protein structures were left unchanged, although some small but significant side chain movements at the active site were observed. (rcsb.org)
  • Draw the correct VSEPR predicted structure of a molecule based on steric number and lone pair count. (ionicviper.org)
  • therefore, the results of X-ray crystallographic, NMR spectroscopic, and theoretical studies on structure-activity relationships form an integral part of the book. (routledge.com)
  • Theoretical Investigations on Steroid Structure and Quantitative Structure-Activity Relationships M. Bohl 4. (routledge.com)
  • Two Approaches to Structure-Activity Relationships in the Field of Sex Steroids and Their Analogs T. Ojasoo, J.C. Dore, J.P. Mornon, and J.P. Raynaud 5. (routledge.com)
  • Structure-Activity Relationships of Glucocorticoids- Importance of the Regulated Gene and Trans-Acting Factors in Determining Glucocorticoid and Antiglucocorticoid Activity S.S. Simons, Jr. 8. (routledge.com)
  • Structure-Activity Relationships of Androgens and Anabolics I. Urbankova, Z. Perina, and O. Hance 11. (routledge.com)
  • Structure-Activity Relationships of Steroidal Neuromuscular Blocking Agents Z. Tuba and S. Maho 12. (routledge.com)
  • Combinatorial approaches have generated many polycations with differing efficacies, but structure-activity relationships are elusive. (aiche.org)
  • In eastern Australia, where strong environmental structure is lacking, phylogeographic differences between species that have been codistributed for ∼85% of their evolutionary histories were consistent with tendencies favoured by their modest life-history differences, that is the larger, rarer species had lower genetic diversity. (wiley.com)
  • Analysis of molecular variance of P. stachyoides showed that 4% of the observed genetic differentiation occurred between populations in different k ī puka and 96% when individuals were pooled from all k ī puka. (usgs.gov)
  • Bayesian and multivariate analyses both classified the P. stachyoides and M. zahlbruckneri populations into genetic groups with considerable sub-structuring detected in the P. stachyoides population. (usgs.gov)
  • Molecular Modelling and Structure-based Drug Design, offered by the University of Leeds, is one of a number of online courses run jointly with The University of Manchester. (bio.net)
  • A joint research group of the University of Tokyo, Japan Science & Technology Agency (JST) and Japan's Institute of Advanced Industrial Science and Technology (AIST) has succeeded in recording video images showing temporal changes in organic molecule structures. (nikkeibp.co.jp)
  • The object of the research was to "observe changes in an organic molecule as if viewing a molecular model. (nikkeibp.co.jp)
  • 1,2 We demonstrated the potential of our methodology by accurately imaging the complete structure of the organic molecule acetylene (C 2 H 2 ), including the C-H bond that is considered highly elusive in conventional diffraction imaging techniques. (osa-opn.org)
  • The special attention will be spent to explain the influence of various physical and chemical processes taking place in a molecular system on the scattered and transmitted light. (rug.nl)
  • To image the chemical structure of a molecule with an AFM, it is necessary to operate in very close proximity to the molecule. (medgadget.com)
  • A tip terminated with a carbon monoxide (CO) molecule yielded the optimum contrast at a tip height of approximately 0.5 nanometers above the molecule being imaged and-acting like a powerful magnifying glass-resolved the individual atoms within the pentacene molecule, revealing its exact atomic-scale chemical structure. (medgadget.com)
  • The strong chemical bond to the gold substrate was retained during the deprotection procedure as only thiolate sulfur species were observed for the BOR-Uncapped molecular system. (diva-portal.org)
  • Furthermore, the chemical structure of such PAs must incorporate residues that form β-sheets, which facilitates self-assembly of long nanofibers. (rsc.org)
  • The main focus is here on the links between energies, structures, and chemical or physical properties. (foyles.co.uk)