• Coordination of water molecules with polar compounds reduces the amount of water effectively available for salt solvation, resulting in crystallization, or "crashing out", of the salt. (wikipedia.org)
  • Each iron center coordinates with the phenate and carboxylate oxygens of four gallate molecules through six Fe-O bonds 10 . (nature.com)
  • Therefore, the ion centers act as active sites of the metallo-gallate complex that can donate electrons from the gallate ligands to ambient free oxygen molecules for the oxygen reduction and reactive oxygen species (ROS) generation 3 , after which the ligand field around iron center attenuates due to the electron loss from gallate 12 . (nature.com)
  • This moiety is the mainly responsible for the antibacterial properties of all these molecules, due to their ability to block the bacterial cell wall synthesis as a result of their covalent binding to penicillin-binding proteins (PBPs), which are essential enzymes involved in the terminal steps of the synthesis of peptidoglycan, the main component of the bacterial cell wall [ 9 ] . (encyclopedia.pub)
  • These heme enzymes are found in most organisms from all biological kingdoms and catalyze various oxidative chemical transformations important for the biosynthesis of steroid hormones, vitamins, signaling molecules, and many other compounds, as well as for the metabolism of xenobiotics. (schoolbag.info)
  • The phenomenon whereby compounds whose molecules have the same number and kind of atoms and the same atomic arrangement, but differ in their spatial relationships. (lookformedical.com)
  • In particular, we have developed methods for the stereoselective incorporation of the 1,2,4-dithiazolidine-3,5-dione (Dts imide) moiety into molecules as a masked isocyanate equivalent. (exeter.ac.uk)
  • Additionally, several derivatives of the natural compounds have been created to modulate their pharmacokinetic properties and/or to widen their spectrum of action. (encyclopedia.pub)
  • Abstract The preparation of novel porphyrin derivatives and their immobilization onto iron oxide nanoparticles to build up suitable nanotools for potential use in photodynamic therapy (PDT) has been explored. (docksci.com)
  • Contribution to Al-Pd-Co system: Structural studies of epsilon phase and proposal of partial isothermal section at 1035 °C. In Journal of Alloys and Compounds, 2022, vol. 896, art. (sav.sk)
  • Herein, we report an efficient one-pot four-component reaction of commercially available 1,3-dicarbonyl compounds, aromatic aldehydes, amines, and nitromethane in the presence of ZnO nanoparticles, which leads to highly substituted pyrroles in moderate to good yields. (sharif.edu)
  • Parkin, 2007 ) to define 2-center metal-ligand interactions of organometallic compounds as ML l X x Z z , where the ligand atoms are classified as L, X, and Z ligands ( Figure 1A ). (frontiersin.org)
  • The development of ligand-field theory in quantum chemistry has provided useful tools for exploring the metal-ligand cooperativity in coordination compounds as well as the related redox processes 5 , 6 , 7 . (nature.com)
  • The strong metal-ligand exchange coupling between Fe center and gallate ligands results in a strong electronic delocalization throughout the whole polymer, which not only significantly enhances light absorption to show deep black color of the iron gall ink, but also makes the spin densities of ion centers closer to the values of high-spin iron(II) 11 . (nature.com)
  • Owing to their low systemic toxicity and few side effects, natural compounds may provide better therapeutic effects for patients. (bvsalud.org)
  • When ambiphilic ligands are used, the metal center coordinates to the L-type moiety of the ligand and the degree of coordination to the Lewis acid moiety is increased ( Figure 1B ). (frontiersin.org)
  • However, if hydrogen peroxide is not completely reduced by these enzymes, it can generate an extremely reactive hydroxy radical when oxidized by iron (Fenton reaction). (dojindo.com)
  • The ROS and reactive nitrogen compounds have many different activities in biological systems. (dojindo.com)
  • The iron gall ink-triggered chemical corrosion of hand-written documents is a big threat to Western cultural heritages, which was demonstrated to result from the iron gall (GA-Fe) chelate-promoted reactive oxygen species generation. (nature.com)
  • Substrate binding at the distal site of the heme brings the target chemical group into the close proximity of the reactive iron-oxygen catalytic intermediate, often in the regiospecific and stereospecific mode, to provide the selectivity of the chemical transformation. (schoolbag.info)
  • Originally discovered by Sodeoka 25 years ago, they readily form reactive chiral Pd enolates upon deprotonation of b-dicarbonyl compounds and simultaneously, a Brønsted acid liberated from the catalyst activates the electrophile. (uni-leipzig.de)
  • 1,3-Oxathiolan-5-ones are a hitherto very poorly studied class of sulfur heterocycles some of which have been shown to be important precursors for HIV drugs or bioactive, anticarcinogenic compounds. (uni-leipzig.de)
  • Structures of the new compounds were established by elemental analyses and spectral data. (eurjchem.com)
  • CRC Atlas of Spectral Data and Physical Constants for Organic Compounds. (photochemcad.com)
  • A group of compounds with three aromatic rings joined in linear arrangement. (lookformedical.com)
  • Friedel, R. A. and M. Orchin (1951) Ultraviolet Spectra of Aromatic Compounds. (photochemcad.com)
  • 53] "Group 6 Carbonyl Complexes of C ‑Ylidic Cp Ligands", F. Mazzotta, K. W. Törnroos, D. Kunz*, Organometallics 2020 , 39 , 3590-3601. (uni-tuebingen.de)
  • In recent years, however, new developments towards the enantioselective synthesis of various heterocycles and other useful compounds have evolved which take advantage of the unique properties of chiral Pd-aqua complexes. (uni-leipzig.de)
  • The methods developed in this work would provide new tools to the arsenal of synthesis of L-sugar building blocks and of assembly of glycans containing L-sugar moieties. (authorea.com)
  • It was found that these compounds readily undergo regioselective interrupted Nazarov cyclization with trapping chloride ion and an efficient method of the synthesis of d -annulated pentacyclic steroids based on this reaction was proposed. (mdpi.com)
  • Copper enzymes are important in the Significance biosynthesis of natural products, hormones and neurotrans- mitters, proton pumping for adenosine triphosphate synthesis, The bioinorganic chemistry of copper is currently confined to a and the metabolism of iron and copper (1, 2). (docslib.org)
  • Nonclassic reactions catalyzed by some cytochromes P450, which do not use oxygen, and thus deviate from the main P450 mechanism, include direct reductive processes driven by the heme iron (conversion of nitric oxide to nitrous oxide by CYP55, reductive dehalogenation, reduction of azo compounds and quinines, etc. (schoolbag.info)
  • Two electrochemical processes (I-II), attributed to oxidation of the ferrocene moieties, and the values of E 0' (I), E 0' (II) , D E 0' (II-I) and comporportionation constant K com are reported. (scirp.org)
  • ROS can be created by metabolism, ionizing radiation, and carcinogenic compounds that directly interact with DNA. (dojindo.com)
  • The incorporation of benzimidazole and ether moieties causes microvoids to decrease in size and enhanced hydrogen bond interactions within the fibers. (4spe.org)
  • The reported results show that a strong intramolecular hydrogen bonding is developed between the hydroxyl hydrogen and carbonyl oxygen. (eurjchem.com)
  • Oxidative attacks by hydroxy radicals on the deoxyribose moiety lead to the release of free bases from DNA, generating strand breaks with various sugar modifications and simple abasic sites. (dojindo.com)
  • Second protonation of the distal oxygen atom and transient formation of the iron coordinated oxo-water, Fe-OOH 2 , results in the heterolytic scission of O-O bond and formation of the ferryl oxo porphyrin-cation radical, which is termed Compound I, by analogy to the same active intermediate first documented in peroxidases and catalases (2). (schoolbag.info)
  • Compounds with a 5-membered ring of four carbons and an oxygen. (lookformedical.com)
  • Despite the unprecedented variability of chemical reactions catalyzed by cytochromes P450, all the important features of their mechanism can be attributed to the oxidative transformations driven by the main catalytic intermediate, which is a ferryl-oxo heme complex with the porphyrin pi-cation radical, or Compound I (3, 4, 8). (schoolbag.info)
  • The majority of the world's most hazardous pathologies are linked to the oxidative damaging effect of free moieties. (jmchemsci.com)
  • The anionic hydride HFe 3 (CO) 11 − species grafted in the zeolite by ionic interaction with an Al 3+ ion showed high catalytic activity for the water gas shift reaction, which was comparable to that of iron carbonyl in homogeneous phase. (go.jp)
  • In the first chapter, high substituted pyrrole derivaitives were synthesized through a one pot four compounent reaction using carbonyl and amin compounds at the presence of magnetic nanoparticles of superparamagnetic ferrospinel NiFe2O4nanoparticles as catalyst.In the second chapter, NiFe2O4magnetic nanoparticles were employed in the Sonogashira reactions using phenyl acetylene as coupling partner with different types of aryle and alkyl halides in water as a green solvent. (sharif.edu)
  • A new three dimensional proton transfer compound, (tataH) 2 (citH).2H 2 O (I) was synthesized from the reaction of citric acid (citH 3 ), and 2,4,6-triamino-1,3,5-triazine (tata). (eurjchem.com)
  • Compound 5f is the most active compound with a modest cytotoxic activity against six human cancer cell lines: U-251 (glioma), PC-3 (prostate cancer), K-562 (leukemia), HCT-15 (colon cancer), MCF-7 (breast cancer) and SKLU-1 (lung cancer). (scirp.org)
  • Pharmacokinetic studies demonstrated that the synthesized albocarbon-based coumarins penetrate the gastrointestinal mucosa very well, and the majority of these compounds penetrate the blood-brain barrier only slightly. (jmchemsci.com)
  • Coumarins constitute an interesting group of compounds. (jmchemsci.com)
  • Coumarins are a class of heterocyclic compounds with a benzopyrone structure. (jmchemsci.com)
  • The structural diversity found in this family of compounds led to the division into different categories, from simple coumarins to many other kinds of policyclic coumarins such as furocoumarins and pyranocoumarins. (benthamscience.com)
  • Simple coumarins and analogues are a large class of compounds that have attracted their interest for a long time due to their biological activities: they have shown to be useful as antitumoural, anti-HIV agents and as CNS-active compounds. (benthamscience.com)
  • Stones containing mesalamine, the active moiety in balsalazide disodium capsules, are undetectable by standard radiography or computed tomography (CT). (nih.gov)
  • Virtual screening approaches can roughly be divided into target structure-based screening (often referred to as docking) and screening using active compounds as templates (ligand-based virtual screening). (benthamscience.com)
  • The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound. (lookformedical.com)
  • The alteration may inactivate the compound or it may result in the production of an active metabolite of an inactive parent compound. (lookformedical.com)
  • To achieve this purpose, a zinc porphyrin derivative, ZnPR-COOH, has been synthesized, characterized at the molecular level and immobilized onto previously synthesized iron oxide nanoparticles covered with oleylamine. (docksci.com)
  • Organometallic chemists have recognized how this basicity can be used to promote interactions between a TM and a Lewis acid moiety, where the acid acts as a σ-acceptor (L-type) and not a σ-donor (Z-type) ligand. (frontiersin.org)
  • An operationally simple and entirely green protocol for heteropoly acid catalyst conjugate addition of indoles and pyrrole to unsaturated carbonyl compounds and nitro-alkene in water was investigated. (sharif.edu)
  • Increasing carbonyl iron powder filler content affects polyurethane matrix reactions and causes the loss factor of the composites to decrease. (4spe.org)
  • Most reactions performed by cytochromes P450 can be catalyzed effectively by Compound I, which is formally the same high-valent intermediate in all isozymes (5, 6). (schoolbag.info)
  • The structures of the resultant compounds are established using IR, 1 H and 13 C NMR spectroscopy, mass spectrometry and elemental analysis. (scirp.org)
  • Furthermore, the rise in industrial activities, especially those that use secondary compounds and high amounts of water in their processes, has increased the concentration in water sources of pollutants, such as metals, radioactive materials, halogenated compounds, persistent organic pollutants, and bioaccumulative and toxic chemicals, such as pesticides. (ncsu.edu)
  • The iron serves as a sole redox center in the catalytic cycle, which accepts two electrons sequentially and channels them to coordinated dioxygen to form a (hydro)peroxo-ferric intermediate. (schoolbag.info)
  • The copper cluster is formed by of carbonyl sulfide and ammonia (18-20). (docslib.org)
  • However, the excessive uptake of GA will result in the reduced systemic iron availability by binding with non-heme iron species 18 , and heavy tea drinkers may suffer the risk of iron deficiency and anemia 19 . (nature.com)
  • Two other properties of glyphosate also negatively impact human health - chelation of minerals such as iron and cobalt, and interference with cytochrome P450 (CYP) enzymes, which play many important roles in the body. (texasorganicresearchcenter.org)
  • Carbon monoxide is produced from the partial combustion of carbon -containing compounds, notably in internal-combustion engines . (wikidoc.org)
  • In this study, iron oxyborate (Fe3BO6 was synthesized through the solution combustion method as a potential anode material for lithium-ion batteries. (hacettepe.edu.tr)
  • Since transition metals (TMs) are typically defined as electron-deficient species, the majority of ligands that have been developed are electron-rich Lewis-basic moieties (L- and X-types) that aim to complete the valence shell of the transition metal (also known as the 18 electron rule). (frontiersin.org)
  • Combined Computational and Experimental Study on [5 + 2] Cycloaddition of 2-Trifluoromethylated Oxidopyrylium Species Leading to 1-(Trifluoromethyl)-8-oxabicyclo[3.2.1]oct-3-en-2-ones. (acs.org)
  • Iron gall ink is one of the most widely used inks in the history of Western civilization for preparing manuscripts, documents, and musical compositions, especially in Europe through the Middle Ages until the 20th century 1 . (nature.com)
  • A fungistatic compound that is widely used as a food preservative. (lookformedical.com)
  • The relationship between the chemical structure of a compound and its biological or pharmacological activity. (lookformedical.com)
  • These models will help chemists understand the orbital interactions involved in these compounds so that they can approach their synthetic goals most effectively. (frontiersin.org)
  • 1963) Tables of Spectrophotometric Absorption Data of Compounds Used for the Colorimetric Determination of Elements. (photochemcad.com)
  • Hirayama, K. (1967) Handbook of Ultraviolet and Visible Absorption Spectra of Organic Compounds. (photochemcad.com)
  • The geometrical parameters of the title compound are in agreement with the values of similar structures. (eurjchem.com)
  • Ligand-based screening techniques essentially focus on comparative molecular similarity analysis of compounds with known and unknown activity, regardless of the methods or algorithms used. (benthamscience.com)
  • In the resting state, heme iron is oxidized (Fe 3+ ) and is coordinated with the thiolate sulfur atom of cysteine as the fifth axial ligand with the sixth position vacant or occupied by water. (schoolbag.info)
  • The higher the conductivity of the chain is, the stronger are the exchange interactions between paramagnetic atoms of iron in complex ( I ). Due to this, we performed a study of the complex by means of Mössbauer spectroscopy which is very sensitive to the changes of energy [ 11 ] and by the measurement of the temperature dependence of magnetic susceptibility in a wide temperature range from 2?K to 300?K. (hindawi.com)
  • The electrochemical properties of compounds 3a, 3b, 3d and 5f a re investigated using cyclic square wave voltammetry. (scirp.org)
  • Compounds are often classed together because they have structural characteristics in common including shape, size, stereochemical arrangement, and distribution of functional groups. (lookformedical.com)
  • Another Italian pharmacologist, Giuseppe Brotzu, identified the presence of other compounds with bactericidal activity in crude filtrates of Cephalosporium cultures in 1945 [ 4 ] . (encyclopedia.pub)
  • The synthesized compounds were screened for their antimicrobial activity. (eurjchem.com)
  • A key feature is the unique 2in1 system that combines both iron and curling characteristics. (businessopad.com)
  • In previous paper [ 9 ] the mixed-ligand complex bis [(1,3-dithiole-2-thione-4,5-dithiolato)-di(carbonyl)-cyclopentadienyliron (II)] ( I ) and its crystal structure has been described (Figure 1 ). (hindawi.com)
  • The structure of one compound, cis -2-(1,2-diferrocenylvinyl)-1-methylbenzimidazole (3b), is confirmed by X-ray diffraction analysis. (scirp.org)
  • Only in 1949, however, was the structure of this compound fully revealed, thanks to the pioneering X-ray studies of Dorothy Crowfoot Hodgkin [ 3 ] . (encyclopedia.pub)
  • The founder of this second class of compounds, cephalosporin C, was identified from these filtrates in 1953 and its structure was fully characterized in 1961 [ 5 ] [ 6 ] . (encyclopedia.pub)
  • Some important exceptions involve the hydroperoxoferric complex, Compound 0, and perhaps the one-electron reduced Cpd I, ferryl oxo heme complex Compound II (1, 3, 4, 9). (schoolbag.info)
  • All extracts and the isolated and synthesized compounds were subjected to screening of bioactivity for medical, cosmetic, and plant protection purposes, for industrial applications, and the use of the total or remaining biomass in production of growth substrates, organic fertilizers, and bioremediation materials was investigated. (europa.eu)
  • The changes in the C-N bond lengths suggest an extended π-electron delocalization over the thiourea moiety which is responsible for the non-linearity of the molecule. (eurjchem.com)
  • Among them, LY0 was the strongest free radical-housing compound from these recognitions, along with the safety and good pharmacokinetic parameters in accordance with the computer-based study. (jmchemsci.com)
  • The data obtained in these experiments agree with data from the similar tertiary amine triethylamine, leading the authors to conclude that any acyclic trialkylamine with straight-chain moieties will have similar stereodynamics compared to DEMA and triethylamine. (wikipedia.org)