• Tak-ing their cue from Moth-er Nature and the chem-ic-al com-pos-i-tion of mus-sel foot pro-teins, the Alis-on But-ler Lab at UC Santa Bar-bara decided to improve a small molecule called the siderophore cyc-lic tri-chryso-bactin ( CTC ) that they had pre-vi-ously dis-covered. (ibbnetzwerk-gmbh.com)
  • Taking their cue from Mother Nature and the chemical composition of mussel foot proteins, the Alison Butler Lab at UC Santa Barbara decided to improve a small molecule called the siderophore cyclic trichrysobactin (CTC) that they had previously discovered. (ucsb.edu)
  • In the periplasm, FeEnt is bound by FepB and passed to the integral inner membrane proteins FepG and FepD through active transport, with the energy provided by ATP hydrolysis catalysed by cytoplasmic FepC. (wikipedia.org)
  • Since the urinary tract is an iron-deficient environment, UPEC have evolved several ways to obtain iron, such as by producing molecules called siderophores that sop up iron bound to host proteins. (newswise.com)
  • Of these 16, two compounds were linked to disruption of the bacterial TonB system, which consists of three transmembrane proteins that help UPEC take up iron. (newswise.com)
  • If these two questions can be answered, this could have implications on novel siderophore design for antibiotics, or to help find the binding sites of the membrane proteins that adsorb these complexes. (warwick.ac.uk)
  • Cup-shaped proteins in tears or blood, so-called lipocalins, scavenge the mini-bait together with the iron, and thus curb the spread of the germs. (mytum.de)
  • One area of particular interest is the transport of small molecules and large proteins across the outer membrane by a single family of membrane proteins. (nih.gov)
  • Recently, we extended our work on small-molecule transporters to ask how proteins are ferried across the outer membrane. (nih.gov)
  • In human, iron is transported as tightly bound to specific proteins and bacteria compete with the host for the low concentrated Fe(III). (jacobs-university.de)
  • They either express receptors for host's proteins and/or secrete low molecular weight scavengers, called siderophores. (jacobs-university.de)
  • We just happened to see a visual similarity between compounds in the siderophore CTC and in mussel foot proteins," Butler explained. (ucsb.edu)
  • To better understand how two bacterial proteins specifically bind a human protein then extract and transport iron into the periplasm, we solved the structures of TbpA in the presence and absence of human transferrin. (nih.gov)
  • The outer membrane contains a host of beta barrel proteins commonly called outer membrane proteins (OMPs), which serve essential functions in cargo transport and signaling and are also vital for membrane biogenesis. (nih.gov)
  • Bacteria are able to compete effectively for iron bound to host proteins because of the secretion of high-affinity, low molecular weight iron chelators known as siderophores. (medscape.com)
  • This is necessary because most host iron is bound to intracellular and extracellular proteins. (medscape.com)
  • In order to deprive bacteria of iron, the host also secretes iron-binding proteins. (medscape.com)
  • Search proteins in UniProtKB for this molecule. (rhea-db.org)
  • A ferric and a ferrous iron operon encoding binding proteins and transporters were found in both strains. (biomedcentral.com)
  • A ferric iron transporter was found in the secretome of B. pseudolongum PV8-2, while ferrous binding proteins were detected in the secretome of B. kashiwanohense PV20-2, suggesting different strategies to take up iron in the strains. (biomedcentral.com)
  • Analyses of the genome and secretome of B. kashiwanohense PV20-2 and B. pseudolongum PV8-2 revealed different adaptations to low iron conditions and identified extracellular proteins for iron transport. (biomedcentral.com)
  • The identified extracellular proteins might be involved in competition for iron in the gastrointestinal tract. (biomedcentral.com)
  • Such iron-binding proteins may also be implicated in iron withholding thereby limiting the availability to pathogens in the GI-tract [ 13 ]. (biomedcentral.com)
  • PSI biology researchers are exploring the proteins that pathogenic bacteria use to gather scarce heme groups, and the iron ions they carry. (rcsb.org)
  • Stomach proteases, e.g. pepsin, specifically cleave proteins to release heparin-binding, acidic polysaccharide-binding domains that inhibit biofilm production in the stomach. (blogspot.com)
  • The extracellular side of the barrel contains loops that act as high-affinity and high-specificity ligand-binding sites for ferric-enterobactin. (wikipedia.org)
  • Low-abundance nutrient metals, such as Fe(III), need to be scavenged from the environment by high-affinity chelating molecules called siderophores. (nih.gov)
  • These small molecules bind to iron(III) with very high affinity, and one known as desferrioxamine is used to treat iron overdose in humans. (warwick.ac.uk)
  • The receptors typically have high-affinity binding sites for their cognate siderophore complex, which can be thus recognized and transported even at low concentrations. (jacobs-university.de)
  • Iron is an essential micronutrient for most organisms and is taken up by high affinity transport systems [ 1 ]. (biomedcentral.com)
  • FepA is an integral bacterial outer membrane porin protein that belongs to outer membrane receptor family and provides the active transport of iron bound by the siderophore enterobactin from the extracellular space, into the periplasm of Gram-negative bacteria. (wikipedia.org)
  • Like the binding catechol, enterobactin is thought to also have a three-fold symmetry dissecting the metal center. (wikipedia.org)
  • Escherichia coli secrets many iron-siderophore transports, but produce only one siderophore-enterobactin. (wikipedia.org)
  • When enterobactin binds ferric iron, this both alters the 3-dimensional conformation of the molecule and changes the charge from neutral to negative 3. (wikipedia.org)
  • So far, our structures have shown how iron transporters specifically recognize Fe 3+ bound to small molecules such as enterobactin (a siderophore synthesized by Escherichia coli) and citrate. (nih.gov)
  • 2009). Enterobactin can, nevertheless, be sequestered by the host innate immune protein siderocalin as a protection mechanism to prevent micro organism from accessing iron (Goetz et al. (tradebenefitsamerica.org)
  • 2004). In response, the pathogenic enterobacteria do not rely solely on enterobactin to gain access to iron throughout the host they usually possess multiple siderophore systems. (tradebenefitsamerica.org)
  • In specific, enterobactin may be modified into salmochelins by the addition of as much as three glucose molecules on its catechol moieties (Hantke et al. (tradebenefitsamerica.org)
  • Demonstration of enzymatic hydrolysis of enterobactin and its iron complex. (rhea-db.org)
  • Purified Fes preparations were examined for esterase activity on enterobactin and its metal complexes and for iron reduction from ferric complexes of enterobactin and 1,3,5-tris(N,N',N'-2,3-dihydroxybenzoyl)aminomethylbenzene (MECAM), a structural analog lacking ester linkages. (rhea-db.org)
  • Ferrous iron was released from the enterobactin complex at a rate similar to ligand cleavage indicating that hydrolysis and iron reduction are tightly associated. (rhea-db.org)
  • These observations are discussed in relation to studies which show that such enterobactin analogs can supply growth-promoting iron concentrations to E. coli. (rhea-db.org)
  • To understand how toxin is transported across the outer membrane, we solved the structure of FyuA, a TonB-dependent iron transporter required for virulence in bubonic plague, with and without its cognate siderophore, ferric yersiniabactin. (nih.gov)
  • cerevisiae, fungi have a excessive affinity system consisting of reductases, an iron permease and a MCO to generate ferrous iron for uptake, and that is the case for A. The elements of this system and its contribution to iron acquisition in a vertebrate host have been first characterised for C. albicans reductases, Cfl1 and Cfl95, have been recognized that promote discount of ferric iron upon heterologous expression in a S. (tradebenefitsamerica.org)
  • Similarly to the heme uptake system of P. aeruginosa, a heme oxygenase, HemO has been recognized in Neisseria species and is required for the degradation of heme into ferric iron, biliverdin, and CO (Zhu et al. (tradebenefitsamerica.org)
  • Remarkably, the ferric iron operon of B. pseudolongum PV8-2 is not found in other B. pseudolongum strains and likely acquired via horizontal gene transfer. (biomedcentral.com)
  • Many bacteria secrete small iron-binding molecules called siderophores, which bind strongly to ferric ions. (wikipedia.org)
  • It binds ferric ions using six oxygens from three catechol groups, giving an overall charge of āˆ’3. (wikipedia.org)
  • Because Fe3+ has a very low solubility, most of the Fe3+ ions in the bacteria's surrounding environment (e.g. soil) exist as iron oxides or hydroxides, and so the number of free Fe3+ is low. (wikipedia.org)
  • Bacteria use small molecules to impose strict regulation over the acquisition, uptake, and sequestration of transition metal ions. (nih.gov)
  • Often, bacteria produce a suite of compounds that bind various metal ions at different affinities in order to maintain homeostasis. (nih.gov)
  • Teredinibactins belong to a class of metal-binding molecules that utilize a phenolate-thiazoline moiety in the coordination of metal ions. (nih.gov)
  • That is why after an infection many microbes cast a kind of chemical mini-bait (siderophores) that scavenges iron ions in body fluids. (mytum.de)
  • Because they target iron uptake, this new class of drugs is expected to have no effect on beneficial E. coli strains in other regions of the body. (newswise.com)
  • Iron is plentiful in the body in non-urinary tract locations, so hindering iron uptake shouldn't cause a problem for these bacteria. (newswise.com)
  • Turnerbactin, a triscatecholate siderophore isolated from the intracellular shipworm symbiont Teredinibacter turnerae T7901, is responsible for iron regulation and uptake. (nih.gov)
  • Iron is essential for bacterial proliferation: If iron uptake could be blocked, an infection could be eradicated. (nih.gov)
  • Some of the iron transporters that we study also facilitate the uptake of large protein toxins called colicins. (nih.gov)
  • However, still few compounds have met with success, primarily because of the lack of knowledge about the many steps involved in the iron uptake, first of all the receptor recognition step. (jacobs-university.de)
  • Researchers reveal their antibiotics disrupt the bacterial TonB system which uropathogenic E. coli (UPEC) uses to uptake iron in order to cause urinary tract infections. (drugtargetreview.com)
  • According to the researchers, this new class of drugs targeting iron uptake should have no effect on beneficial E. coli strains in other regions of the body in which iron is plentiful, where most current antibiotics typically destroy the beneficial strains as well as the pathogenic ones. (drugtargetreview.com)
  • The quantification of the phosphate ABC transporter PstA combined with a cellular model of nutrient uptake suggested that Trichodesmium is generally confronted by the biophysical limits of membrane space and diffusion rates for iron and phosphate acquisition in the field. (copernicus.org)
  • Joseph has that we carefully have the 4BBrooklynNY11205193 others to be more functional and half workers, while winning greater Statistical ratios between an download and iron-uptake. (algen.com)
  • The collaborators previously showed that the iron acquisition process can be a target for small molecules for possible UTI treatment. (newswise.com)
  • We selected one of these compounds as a scaffold to modify into potential small molecule inhibitors of the TonB system," M. Cole Detels, an undergraduate student in Eagon's lab, explains. (newswise.com)
  • In this way the TUM researchers bestowed attributes upon a lipocalin allowing it to capture a small molecule with a radioactive metal ion (yttrium). (mytum.de)
  • Because the radioactive molecules are very small, the unbonded excess is discharged via the kidney and thus cannot harm the body. (mytum.de)
  • Each transporter has a unique binding pocket for its preferred small molecule. (nih.gov)
  • The next step is to use computational methods to screen for small molecules that effectively compete with the natural substrate for binding. (nih.gov)
  • Whether the transport mechanism is the same as found for small molecules or entirely different, we hope that our crystal structures will suggest answers. (nih.gov)
  • The researchers from California Polytechnic State University and the University of Michigan School of Medicine previously showed that the iron acquisition process can be a target for small molecules for possible UTI treatment. (drugtargetreview.com)
  • Unanswered questions in the field include how substances are individually recognized by dedicated transporters, how a signal is transduced across the outer membrane to initiate the transport process, and how protein toxins use these small molecule transporters to enter and kill a cell. (nih.gov)
  • Iron is an essential mineral, used by many enzymes for its ability to trap small molecules like oxygen and to act as a conduit of electron transfer. (rcsb.org)
  • This is due to both inorganic (e.g. as sulfide nanoparticles) as well as organic complexation by small metal chelating molecules - so called organic ligands. (andrea-koschinsky.org)
  • Genome-wide expression and ingenuity pathway analysis (IPA) identified enhanced expression of host genes encoding for components found in multiple cellular processes encompassing: (1) pro-inflammatory, (2) cell adhesion, (3) chemoattraction, (4) cellular matrix and small molecule transport, (5) apoptosis, and (6) antigen-processing and presentation. (madridge.org)
  • Prevalence and progression of infection by P. aeruginosa in the host is dependent on secretion of numerous extracellular molecules such as polysaccharides, proteases, eDNA, pyocyanin and pyoverdine. (intechopen.com)
  • Lactoferrin is effective, since it both binds iron and binds to acidic polysaccharides via its heparin-binding domains. (blogspot.com)
  • We focus on iron transporters from several bacterial pathogens. (nih.gov)
  • Even without knowing exactly how they function, we believe that these iron transporters may make good vaccine or drug targets because they are surface exposed and often antigenic. (nih.gov)
  • This protein forms a transport channel similar to those found in iron transporters, but the secreted protein domain is very large. (nih.gov)
  • Now, researchers report early progress toward developing a new class of antibiotics that would fight these infections by starving the causative bacteria of iron. (newswise.com)
  • You can't stop bacteria from evolving and developing resistance to antibiotics," says Mary Rose Ronquillo, an undergraduate student who works in the lab of Scott C. Eagon, Ph.D. "The aim of our research is to develop a drug that acts in a different way from current drugs - by depriving the bacteria of iron, a key nutrient essential to their survival. (newswise.com)
  • Hijacking active iron-transport systems in Gram-negative bacteria to deliver antibiotics. (jacobs-university.de)
  • In their latest study, presented at the American Chemical Society (ACS) Fall 2020 Virtual Meeting & Expo , researchers reveal a new class of antibiotics for urinary tract infections which targets bacterial iron acquisition. (drugtargetreview.com)
  • Bacillus anthracis, a Gram-positive bacteria that causes anthrax, secretes two siderophores: bacillibactin and petrobactin. (wikipedia.org)
  • Docking calculations are then used to compare the different complexes in terms of binding affinity for their receptor. (jacobs-university.de)
  • They mod-i-fied the molecule and then tested its adhes-ive strength in aqueous envir-on-ments. (ibbnetzwerk-gmbh.com)
  • They modified the molecule and then tested its adhesive strength in aqueous environments. (ucsb.edu)
  • Using protein design and genetic engineering the researchers altered the cup-like structure in such a way that a lipocalin can bind to specific defense cells and block the molecule CTLA-4, which plays a role in the immune response. (mytum.de)
  • During infection, the host reduces iron concentrations as a defense mechanism. (bvsalud.org)
  • Recent data from preclinical studies suggest a role for neutrophil myeloperoxidase and lipopolysaccharide-binding protein in host defense against K pneumoniae infection. (medscape.com)
  • In that study, they screened nearly 150,000 compounds and identified 16 that stop these bacteria from growing under iron-limiting conditions. (newswise.com)
  • Herein, another series of compounds are described that complex with iron, copper, and molybdenum in solution. (nih.gov)
  • We developed a bet-ter, more stable molecule than the actu-al CTC ," But-ler explained. (ibbnetzwerk-gmbh.com)
  • We developed a better, more stable molecule than the actual CTC," Butler explained. (ucsb.edu)
  • However, no detectable release of ferrous iron from the MECAM complex implies that, with these in vitro preparations, metal reduction depends upon, and is subsequent to, the esterase activity of Fes. (rhea-db.org)
  • Two oxidized forms of iron, ferric (Fe 3+ ) and ferrous iron (Fe 2+ ), occur in nature with ferrous iron being to be most abundant in the intestine [ 2 ]. (biomedcentral.com)
  • Scientific research on cancer diagnostics and therapy has pursued similar ideas with double binding structures for some time. (mytum.de)
  • These structures allowed us to precisely define the binding pocket for the substrate. (nih.gov)
  • Comparison of the structures of two forms of the Bradyrhizobium japonicum FixL heme domain, one in the "on" state without bound ligand and one in the "off" state with bound cyanide, reveals a mechanism of regulation by a heme that is distinct from the classical hemoglobin models. (versila.com)
  • Bacteria lack a membrane-bound nucleus and other internal structures and are therefore ranked among the unicellular life-forms called prokaryotes ( prokaryote ). (en-academic.com)
  • Y. pestis causes plague, and deletion of the gene encoding an iron transporter abolishes virulence in a mouse model of bubonic plague. (nih.gov)
  • These molecules have multiple roles in facilitating P. aeruginosa colonisation and virulence. (intechopen.com)
  • Mutations within the hgp, hup, hpbA and hel (encoding lipoprotein e , another periplasmic heme binding protein) genes had no impact on virulence in a bacteremia model with 5-day old rats (Morton et al. (tradebenefitsamerica.org)
  • Therefore, microbes have evolved to secret siderophores, Fe3+-binding peptides, into the surroundings and then actively transport the Fe3+-complex back into the cell by active transport. (wikipedia.org)
  • Iron deficiency in the human body is a global issue with an impact on more than two billion individuals worldwide. (mdpi.com)
  • To counteract the host-induced iron deficiency, Mycma produces siderophores to capture iron. (bvsalud.org)
  • Deficiency in this protein induces a rare autosomal-recessive disease called AUTOIMMUNE POLYENDOCRINOPATHY-CANDIDIASIS-ECTODERMAL DYSTROPHY. (nih.gov)
  • The N-terminus also has two extracellular loops in the pore, which are thought to aid in the signal transduction between ligand-binding and TonB-mediated transport, though the precise mechanism is not clear. (wikipedia.org)
  • Residues 12 to 18 of the N-terminus domain of FepA comprise a region called the TonB box, which includes at least a proline and glycine residue. (wikipedia.org)
  • They use the largest known TonB-dependent iron transporter (TbpA, 100 kDa) to acquire iron from human transferrin, an 80 kDa glycoprotein that circulates in the bloodstream. (nih.gov)
  • Sidereophores are peptide-like substances excreted by many bacteria to scavenge iron - an essential metabolite - from the surroundings (e.g soil, host) which are dilute in soluble iron. (warwick.ac.uk)
  • Recognition of iron-bound transferrin is facilitated by TbpB, a 75 kDa soluble protein attached to the outside of the outer membrane by a lipid anchor. (nih.gov)
  • Modelling these iron-siderophore complexes are considerably difficult as the system is too large to produce meaningful ab initio quantum mechanical calculations so instead molecular modelling (MM) simulations are used. (warwick.ac.uk)
  • These interactions occur after environmental sensing, followed by converting those signals to molecular and genetic information, including many mechanisms and classes of molecules. (encyclopedia.pub)
  • Subsequently, the basic, antimicrobial peptides and agglutinins are cleaved by proteases, e.g. trypsin, that hydrolyze the binding domains. (blogspot.com)
  • This can also be seen with pathogenic bacteria inside its host, where iron is bound tightly by haemoglobin, transferrin, lactoferrin and ferritin, and thus low in concentration (10āˆ’24 mol Lāˆ’1). (wikipedia.org)
  • FixL's oxygen-detecting domain is a heme binding region that controls the activity of an attached histidine kinase. (versila.com)
  • In the absence of bound ligand, the heme domain permits kinase activity. (versila.com)
  • Nothing is understood about how iron is extracted from heme once it enters the cytoplasm. (tradebenefitsamerica.org)
  • In addition, restricting iron to pathogens in the GI-tract has been coined as nutritional immunity phenomenon and is usually associated with efficient iron-sequestration systems. (biomedcentral.com)
  • and interspecific fungal interactions are mediated upon contact and/or signaling molecules leading to, e.g., mating, alterations in growth and development, and pathogenicity [ 24 ]. (encyclopedia.pub)
  • The fluorescent actin staining (FAS) test, which uses fluorescein-conjugated phalloidin (an actin-specific fungal toxin) to bind filamentous actin in the so-called attaching and effacing AE lesion, is highly sensitive and specific for AE lesion-forming EPEC, EHEC, H. alvei, and C.freundii. (microrao.com)
  • Bifidobacteria require iron for growth and their iron-sequestration mechanisms are important for their fitness and possibly inhibit enteropathogens. (biomedcentral.com)
  • Additionally, the essential micronutrient zinc might have a similar role in ecosystems as iron, and mechanisms for zinc sequestration have been recently reported to further contribute to nutritional immunity by similar mechanisms as iron sequestration [ 14 - 16 ]. (biomedcentral.com)
  • When the correct substrate binds, the transporter undergoes conformational changes that send a signal across the outer membrane and prepare the system for transport. (nih.gov)
  • We are currently testing this idea using an iron transporter from Yersinia pestis. (nih.gov)
  • We recently solved the structure of the Y. pestis iron transporter in two states, alone and in complex with its cognate Fe 3+ -siderophore. (nih.gov)
  • The aim of our research is to develop a drug that acts in a different way from current drugs - by depriving the bacteria of iron, a key nutrient essential to their survival. (drugtargetreview.com)
  • It binds to the peptidyl transferase enzyme to inhibit transfer of the growing polypeptide to the next amino acid, thereby inhibit bacterial protein synthesis. (microrao.com)
  • Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. (lookformedical.com)
  • The most well characterized siderophores belong to this class, for which several 3D structure of the siderophore-receptor co-complex are also available. (jacobs-university.de)
  • Several promising siderophore-antibiotic conjugates belong to this group and a deeper understanding of the receptor recognition steps will be extremely useful to design and develop new conjugates with improved performance. (jacobs-university.de)
  • The structure of the Fe - siderophore complex. (warwick.ac.uk)
  • Search Rhea for molecules that contain or resemble this structure. (rhea-db.org)
  • A distinctive toroidal structure, a metal ion and an iron-sulfur cluster allow Cas4 to unwind and process phage DNA in the process of CRISPR-associated immunity. (rcsb.org)
  • Skerra and his colleagues established that the newly constructed lipocalin binds to CTLA-4 just like an antibody - which is why the researchers named their antibody-like lipocalins "anticalins. (mytum.de)
  • Predominant members of an ecosystem frequently possess efficient iron-scavenging systems which enable them to outcompete other microorganisms by depriving them from iron [ 7 ]. (biomedcentral.com)
  • However iron is essential in sustaining life due to its role in co-enzymes of respiration and DNA synthesis, so bacteria must adapt to have a mechanism for intake of iron. (wikipedia.org)
  • In this chapter, we have outlined the roles of various extracellular molecules secreted by P. aeruginosa and specifically focused on the role of pyocyanin in inducing eDNA production, binding to eDNA via intercalation and facilitating biofilm promoting factors, whilst inducing oxidative stress to host cells via production of reactive oxygen species. (intechopen.com)
  • Availability of iron increases host susceptibility to K pneumoniae infection. (medscape.com)
  • Here we used combined genomic and proteomic analyses to characterize adaptations to low iron conditions of B. kashiwanohense PV20-2 and B. pseudolongum PV8-2, 2 strains isolated from the feces of iron-deficient African infants and selected for their high iron-sequestering ability. (biomedcentral.com)
  • Additionally, the secretomes of the two strains grown under low-iron conditions were analyzed using a combined genomic-proteomic approach. (biomedcentral.com)
  • The binding is thought to be in two phases, a fast step which recognises FeEnt, and a slower step which may be the first step in translocation-preparing the complex for translocation. (wikipedia.org)
  • UV-vis absorption spectroscopy based titration experiments with CuCl 2 show the formation of an intermediate complex at substoichiometric concentrations and conversion to a copper-bound complex at 1:1 molar equiv. (nih.gov)
  • [ 1 ] Acinetobacter baumannii , genomic species 3 and 13TU, three of the most clinically relevant species, are genetically and phenotypically very similar to an environmental species, Acinetobacter calcoaceticus , and are therefore grouped together into the so-called A. calcoaceticus-Acinetobacter baumannii complex. (medscape.com)
  • It also cleaved the aluminum (III) complex at a rate similar to the ferric complex, suggesting that ester hydrolysis of the ligand backbone is independent of any reductive process associated with the bound metal. (rhea-db.org)
  • The micronutrient iron is essential for practically all living organisms. (mytum.de)
  • Iron is essential to life but it is mostly found in the form of Fe(III) highly insoluble minerals. (jacobs-university.de)
  • Iron is essential for bacterial growth and establishment of infection. (bvsalud.org)
  • Iron (Fe) and e.g. zinc (Zn) represent limited but essential micronutrients within the marine biogeochemical cycle in most oceans. (andrea-koschinsky.org)
  • All of these treatments can remove the calcium, magnesium and iron that is essential to the matrix. (blogspot.com)
  • The most important functions ensured by adequate amounts of iron in the body are related to transport and storage of oxygen, electron transfer, mediation of oxidation-reduction reactions, synthesis of hormones, the replication of DNA, cell cycle restoration and control, fixation of nitrogen, and antioxidant effects. (mdpi.com)
  • In such instances, either the solvent molecules occupy the missing positions of the metal's octahedral configuration, or higher stoichiometry complexes have to be envisaged. (jacobs-university.de)
  • Siderophores are molecules that bind and transport iron in microorganisms such as bacteria. (ucsb.edu)
  • Instead, Rob Deeth has developed a system which handles the transition metal with Ligand Field Theory of d-Orbitals, whilst leaving the atoms not in the vincinity subject to conventional forcefields, and has implement this into a popular MM/MD program called MOE to form DommiMOE. (warwick.ac.uk)
  • 313. 'Kinetic Control via Binding Sites within the Confined Space of Metal Metalloporphyrin-Frameworks for Enhanced Shape-Selectivity Catalysis' Zhang, W. (unt.edu)