This unit provides an overview of how Nature has inspired the development of novel diiron bridged complexes for use in C–H Hydroxylation.
Contributed by Omar Villanueva and Cora MacBeth, Emory University, 2014
1. The document discusses different types of complexes that can form between molecules, including metal ion complexes, organic molecular complexes, and inclusion complexes.
2. Metal ion complexes involve donation of electron pairs from ligands to a central metal ion. Important types include inorganic complexes containing ligands like ammonia, and chelate complexes where a ligand donates multiple electron pairs.
3. Organic molecular complexes are weaker and involve polarization of molecules and charge transfer rather than covalent bonding. Examples discussed include complexes of drugs containing N-C=S moieties that can complex with iodine.
This study synthesized a series of hydroxy-substituted chalcone oxime derivatives and evaluated their inhibitory effects on tyrosinase and melanin formation in mouse melanoma cells. Two compounds exhibited much stronger tyrosinase inhibition than the positive control kojic acid. Kinetic studies showed that these compounds act as competitive tyrosinase inhibitors by binding to the enzyme's active site. Both compounds inhibited tyrosinase activity and melanin production in mouse melanoma cells, suggesting their potential as skin lightening agents.
Sanjo College of Pharmaceutical Studies, Physical Pharmaceutics I , 3rd semester B.Pharm, Complexation & protein binding, Classification in detail, determination methods, application of complexes in pharmacy.
This chapter discusses complexation and protein binding in pharmaceuticals. It defines the three classes of complexes as metal ion complexes, organic molecular complexes, and inclusion compounds. It describes the types of interactions that form complexes, such as coordination bonds and van der Waals forces. Metal complexes are discussed in depth, including examples of inorganic complexes like hexamminecobalt(III) chloride and the hybridization of metal orbitals. Chelates are described as complexes where ligands are attached to the same metal ion, conferring properties like chirality. Protein binding can influence drug action and is determined using methods like equilibrium dialysis.
Complexation and Protein Binding [Part-1](Introduction and Classification an...Ms. Pooja Bhandare
Complexation: Classification of complexation:
Metal ion or co-ordination complexes :
Inorganic type Organic molecular complexes :
Quinhydrone type
Picric acid type
Caffeine and other drug complexes
Polymer type
Inclusion or occlusion compound
Channel lattice type
Layer type
Monomolecular type
Macromolecular type
Chelates
Olefin type
Aromatic type
Pi (п) complexes
Sigma (б) complexes
Sandwich complexes
This powerpoint presentation will help to know about introduction of bioisosterism by Biotechnology point of view. Hope this powerpoint presentation will your reference.
The document discusses complexation, which is the combination of individual groups or molecules to form larger molecules or ions. Complexes are formed through coordination bonds between a central metal atom or ion and surrounding ligands. Ligands can be monodentate, bidentate, or polydentate. Complexation has applications in drug delivery through properties like enhanced solubility and stability. Metal ion complexes and organic molecular complexes are discussed as examples. Protein binding of drugs is another type of complexation that affects drug absorption, distribution, metabolism, and excretion by binding drugs and rendering them pharmacologically inactive. Factors influencing protein binding include drug properties, protein properties, and patient factors.
1. The document discusses different types of complexes that can form between molecules, including metal ion complexes, organic molecular complexes, and inclusion complexes.
2. Metal ion complexes involve donation of electron pairs from ligands to a central metal ion. Important types include inorganic complexes containing ligands like ammonia, and chelate complexes where a ligand donates multiple electron pairs.
3. Organic molecular complexes are weaker and involve polarization of molecules and charge transfer rather than covalent bonding. Examples discussed include complexes of drugs containing N-C=S moieties that can complex with iodine.
This study synthesized a series of hydroxy-substituted chalcone oxime derivatives and evaluated their inhibitory effects on tyrosinase and melanin formation in mouse melanoma cells. Two compounds exhibited much stronger tyrosinase inhibition than the positive control kojic acid. Kinetic studies showed that these compounds act as competitive tyrosinase inhibitors by binding to the enzyme's active site. Both compounds inhibited tyrosinase activity and melanin production in mouse melanoma cells, suggesting their potential as skin lightening agents.
Sanjo College of Pharmaceutical Studies, Physical Pharmaceutics I , 3rd semester B.Pharm, Complexation & protein binding, Classification in detail, determination methods, application of complexes in pharmacy.
This chapter discusses complexation and protein binding in pharmaceuticals. It defines the three classes of complexes as metal ion complexes, organic molecular complexes, and inclusion compounds. It describes the types of interactions that form complexes, such as coordination bonds and van der Waals forces. Metal complexes are discussed in depth, including examples of inorganic complexes like hexamminecobalt(III) chloride and the hybridization of metal orbitals. Chelates are described as complexes where ligands are attached to the same metal ion, conferring properties like chirality. Protein binding can influence drug action and is determined using methods like equilibrium dialysis.
Complexation and Protein Binding [Part-1](Introduction and Classification an...Ms. Pooja Bhandare
Complexation: Classification of complexation:
Metal ion or co-ordination complexes :
Inorganic type Organic molecular complexes :
Quinhydrone type
Picric acid type
Caffeine and other drug complexes
Polymer type
Inclusion or occlusion compound
Channel lattice type
Layer type
Monomolecular type
Macromolecular type
Chelates
Olefin type
Aromatic type
Pi (п) complexes
Sigma (б) complexes
Sandwich complexes
This powerpoint presentation will help to know about introduction of bioisosterism by Biotechnology point of view. Hope this powerpoint presentation will your reference.
The document discusses complexation, which is the combination of individual groups or molecules to form larger molecules or ions. Complexes are formed through coordination bonds between a central metal atom or ion and surrounding ligands. Ligands can be monodentate, bidentate, or polydentate. Complexation has applications in drug delivery through properties like enhanced solubility and stability. Metal ion complexes and organic molecular complexes are discussed as examples. Protein binding of drugs is another type of complexation that affects drug absorption, distribution, metabolism, and excretion by binding drugs and rendering them pharmacologically inactive. Factors influencing protein binding include drug properties, protein properties, and patient factors.
Bioisosterism is a strategy used in drug design that involves replacing one chemical group with another that has similar physical or chemical properties. This is done to improve properties like potency, selectivity, toxicity, and pharmacokinetics without significantly changing the chemical structure. Common bioisosteric replacements include replacing hydrogen with fluorine, replacing carboxylic acids with amides or esters, or replacing phenyl rings with heteroaromatic or saturated rings. The application of bioisosterism has been an important concept in medicinal chemistry for nearly 80 years and will continue to play a role in drug discovery and optimization.
Fuctional group determination of drugs in biological activity.vishnu chinnamsetti
The document discusses the role of functional groups in determining biological activity. It defines functional groups as atoms within drug molecules that confer specific chemical and physical properties. The key points are:
1) Functional groups determine properties like ionization, solubility, reactivity, stability, and metabolism. They impact drug shelf life, action duration, and susceptibility to metabolism.
2) There are several types of functional groups including acidic, basic, hydrophilic, intermediate polarity, and lipophilic groups. These groups impact properties like water solubility, lipid solubility, and ability to cross cell membranes.
3) The presence of particular functional groups is important for a drug's intended biological activity and receptor interactions. Understanding functional
This document summarizes research on the synthesis and reactivity of group 4 metal complexes containing symmetric amidinate ligands. Various amidinate ligands were prepared by modifying substituents on the nitrogen atoms to tune steric properties. Titanium and hafnium amidinate dimethylamido and chloride complexes were synthesized and their solid-state and solution structures were studied. These complexes were tested as catalysts for the polymerization of propylene and ethylene after activation with MAO. The activity of the catalyst and properties of the polymers produced depended on the substituents of the amidine ligands. Further experiments provided insights into the mechanism of ethylene polymerization, identifying catalytic species using ESR, C60 radical trapping
This document discusses complexation and protein binding. It defines complexes as molecules where most bonds can be described by classical theories of valency, but one or more bonds are anomalous. Complexes result from donor-acceptor or Lewis acid-base reactions between constituents.
It describes different types of complexes including metal complexes where the metal ion is the central atom. It also discusses organic molecular complexes formed between two organic molecules via hydrogen bonds or van der Waals forces. Inclusion complexes involve one compound being trapped in the lattice structure of another.
Various methods for analyzing complexes are presented, including determining stoichiometric ratios and stability constants using methods like continuous variation, distribution, solubility, and pH titration. Applications of complex
This document discusses complexation and protein binding. It defines complex compounds as molecules where some bonds cannot be described by classical valence theory. Complexation is the association of two molecules to form a non-covalently bonded entity with a stoichiometry. Ligands interact with central metal ions or atoms via coordinate bonds to form metal complexes. Protein binding is the formation of drug-protein complexes. Factors affecting protein binding include the drug's physicochemical properties, protein concentration and binding sites, drug interactions, and patient characteristics like age and disease state. Kinetics of protein binding influence drug absorption, distribution, metabolism, and elimination.
This document provides definitions and classifications of complex compounds. It defines complexes as molecules where most bonding structures can be described by classical theories but one or more bonds are anomalous. Complexes result from donor-acceptor reactions between Lewis acids and bases. They are divided into metal ion complexes, organic molecular complexes, and inclusion complexes. Metal complexes involve coordination between metal ions and ligands. Chelates form cyclic structures with multidentate ligands. Organic complexes involve weaker interactions like hydrogen bonding. Inclusion complexes entrap guest molecules in host structures like channels, layers, or cavities. Common examples of complexes and their properties are discussed.
This document provides an overview of molecular variation in homologous series and isosteric replacements for medicinal chemistry. It discusses different types of molecular variations such as variations based on homologous series with different biological response curves. It also discusses isosteric replacements, including the history and development of isosterism concepts. Current isosteric and bioisosteric modifications are presented. The document also discusses molecular variations based on ring transformations, homodimer and heterodimer ligands using the twin drug approach, and molecular variations in medicinal chemistry applications.
This document discusses the structure and properties of proteins. It begins with an introduction stating that proteins are polymers of amino acids and are involved in most body functions. It then discusses the primary, secondary, tertiary, and quaternary levels of protein structure. The primary structure is the amino acid sequence. Secondary structures include alpha helices and beta pleated sheets formed by hydrogen bonds. Tertiary structure is determined by interactions between amino acid side chains. Quaternary structure results from multiple polypeptide subunits aggregating. Proteins have various properties like solubility, molecular weight, and shape. They also have important functions like structure, enzymes, hormones, and more.
This document discusses different types of metal ion complexes and protein binding. It describes inorganic complexes containing ligands such as ammonia and cyanide. Chelates form more stable complexes due to multiple bonding sites for the metal. Organic molecular complexes involve weaker interactions like hydrogen bonding or charge transfer. Inclusion complexes trap one component within the lattice structure of the other. Common examples discussed include hexamine cobalt chloride, caffeine complexes, and drug polymer interactions.
This document discusses molecular variation in homologous series and isosteric replacements for drug discovery. It defines homologous series as molecules that differ by a methylene group, such as monoalkylated derivatives and cyclopolymethylenic compounds. Biological activity often follows a bell-shaped curve with increasing carbon chain length, peaking at an optimal partition coefficient for membrane crossing. Isosteric replacements involve substituting atoms or groups with others of similar size and electronic properties, allowing modification while maintaining biological activity, as seen with clozapine analogs. The concepts of homologous series and isosteric replacements are important tools in medicinal chemistry for analog design and drug discovery.
This document discusses methods for analyzing complexation and protein binding. It describes four main methods for determining the stoichiometric ratio and stability constant of complexes: continuous variation, pH titration, distribution, and solubility methods. It provides examples of how each method works and the types of calculations used. It also discusses kinetics of protein binding, describing protein-drug interactions and equations used to determine association constants and binding sites.
This document describes the synthesis and properties of polypyrrole/polyacrylamide composite hydrogels. Polypyrrole is used as the electro-conductive component within a cross-linked polyacrylamide hydrogel matrix. The effects of synthesis conditions and polypyrrole distribution on the structure, swelling ability, and mechanical properties of the composites are studied. The composite hydrogels combine the electrical characteristics of polypyrrole with the elasticity and swelling ability of the polyacrylamide hydrogel matrix.
This document provides an overview of polymer science. It begins with definitions, noting that a polymer is a large molecule formed by linking small repeating units called monomers. The document then covers various classifications of polymers based on their source, backbone, structure, and polymerization method. Applications of polymers in pharmaceutical formulations and drug delivery are discussed, along with mechanisms of drug release from polymers. The document also addresses viscosity, solvent selection, and common fabrication technologies for polymers.
The document discusses complexation and protein binding. It defines complexation as the process of combining individual atom groups, ions or molecules to create large ions or molecules. There are various types of complexes that are formed through different interactions. Applications of complexation include improving solubility, stability, and bioavailability of drugs. Methods for determining the stoichiometry of complexes include Job's method, mole ratio method, and slope ratio method which involve measuring a property of complexes formed at different concentration ratios. Protein binding is also discussed in relation to complexation and drug action.
This document discusses chelation and complexation. It defines chelation as the formation of ring-like structures when metal ions bind to organic or inorganic compounds. Chelation therapy involves administering chelating agents to remove heavy metals from the body. Common chelating agents include EDTA, DMSA, deferoxamine, and dimercaprol. Factors like pH and the charge of the chelator affect chelation. Chelation is used to treat metal poisoning and remove metals from pharmaceuticals. Complexation is the formation of complexes where a central metal atom is surrounded by ligands through charge transfer or hydrophobic interactions. Complexes can be metal ion complexes or organic molecular complexes.
1. Complex compounds are molecules where some bonds cannot be described by classical theories of valency and involve anomalous bonds.
2. Complexes form through interactions like coordination bonds, hydrogen bonds, and van der Waals forces between different chemical species.
3. Complexation can alter properties like solubility, conductivity, and chemical reactivity and is used in applications like increasing drug solubility, purification of water, drug analysis, and as anticoagulants.
Chemistry is the study of matter and its composition, structure, properties, and interactions. It is important to biology because it examines the chemical components, structures, and reactions that occur in living organisms. The collaboration between chemistry and biology gave rise to biochemistry, which studies the chemistry of living things. At the most basic level, cells contain proteins that are made up of carbon, hydrogen, nitrogen, and other atoms.
Applications of click chemistry in drug discoveryrita martin
his article focus mainly on click chemistry mechanisms and its applications, click chemistry is an easy way to generate substances quickly and reliably by joining small units together, with this ease of use mechanism, click chemistry as found its applications in various technologies especially in drug discovery ,medicinal chemistry, enzyme activity, chemistry natural products, material science, polymers, nanotechnology and bioconjugation
Carbohydrates metabolism and lipids biosynthesis and oxidationDr Kirpa Ram Jangra
Carbohydrates are organic compounds that serve as an important energy source. They typically break down to release energy through metabolism. The document discusses carbohydrate metabolism, including glycolysis, which involves breaking glucose down into pyruvate or lactic acid. Glycolysis yields ATP and NADH and is divided into preparatory and energy-yielding phases involving 10 steps that phosphorylate, isomerize, and break down glucose.
- The document discusses protein metabolism and nitrogen fixation. It covers the classification of proteins based on their structure, composition, and functions. There are four levels of protein structure - primary, secondary, tertiary, and quaternary.
- The primary structure is the linear sequence of amino acids. The secondary structure involves folding into alpha helices or beta sheets via hydrogen bonding. Tertiary structure describes the overall 3D shape formed by interactions between amino acid R groups. Quaternary structure applies to proteins with multiple polypeptide chains that combine to form complexes.
- Proteins are classified as globular, fibrous, or intermediate based on their shape. They can also be simple or conjugated based on composition
This document summarizes a review article about metal-organic framework (MOF)-based engineered materials and their applications. The review discusses the fundamentals and current uses of MOFs in electrocatalysis, photocatalysis, and biocatalysis. MOFs are crystalline porous materials constructed from organic ligands and inorganic connectors. Their tunable structures, high surface areas, and functionalities make them promising for applications in catalysis, gas storage, drug delivery, and more. The review examines the electrocatalytic, photocatalytic, and biomedical properties of MOFs and MOF-based composites. It also discusses synthesis methods and classifications of MOFs.
The Influence of a New-Synthesized Complex Compounds of Ni (II), Cu (II) And ...IOSR Journals
This document describes the synthesis and characterization of new macrocyclic complex compounds containing nickel(II), copper(II), and iron(II) coordinated with a ligand containing a tetraoxotetrahydrazin moiety. The complexes were characterized using techniques such as elemental analysis, UV-visible and IR spectroscopy, and magnetic moment measurements. The complexes were then tested for antibacterial activity against 14 pathogenic bacteria and compared to a standard antibiotic. The results indicate that the new complexes show potential as antimicrobial agents.
Bioisosterism is a strategy used in drug design that involves replacing one chemical group with another that has similar physical or chemical properties. This is done to improve properties like potency, selectivity, toxicity, and pharmacokinetics without significantly changing the chemical structure. Common bioisosteric replacements include replacing hydrogen with fluorine, replacing carboxylic acids with amides or esters, or replacing phenyl rings with heteroaromatic or saturated rings. The application of bioisosterism has been an important concept in medicinal chemistry for nearly 80 years and will continue to play a role in drug discovery and optimization.
Fuctional group determination of drugs in biological activity.vishnu chinnamsetti
The document discusses the role of functional groups in determining biological activity. It defines functional groups as atoms within drug molecules that confer specific chemical and physical properties. The key points are:
1) Functional groups determine properties like ionization, solubility, reactivity, stability, and metabolism. They impact drug shelf life, action duration, and susceptibility to metabolism.
2) There are several types of functional groups including acidic, basic, hydrophilic, intermediate polarity, and lipophilic groups. These groups impact properties like water solubility, lipid solubility, and ability to cross cell membranes.
3) The presence of particular functional groups is important for a drug's intended biological activity and receptor interactions. Understanding functional
This document summarizes research on the synthesis and reactivity of group 4 metal complexes containing symmetric amidinate ligands. Various amidinate ligands were prepared by modifying substituents on the nitrogen atoms to tune steric properties. Titanium and hafnium amidinate dimethylamido and chloride complexes were synthesized and their solid-state and solution structures were studied. These complexes were tested as catalysts for the polymerization of propylene and ethylene after activation with MAO. The activity of the catalyst and properties of the polymers produced depended on the substituents of the amidine ligands. Further experiments provided insights into the mechanism of ethylene polymerization, identifying catalytic species using ESR, C60 radical trapping
This document discusses complexation and protein binding. It defines complexes as molecules where most bonds can be described by classical theories of valency, but one or more bonds are anomalous. Complexes result from donor-acceptor or Lewis acid-base reactions between constituents.
It describes different types of complexes including metal complexes where the metal ion is the central atom. It also discusses organic molecular complexes formed between two organic molecules via hydrogen bonds or van der Waals forces. Inclusion complexes involve one compound being trapped in the lattice structure of another.
Various methods for analyzing complexes are presented, including determining stoichiometric ratios and stability constants using methods like continuous variation, distribution, solubility, and pH titration. Applications of complex
This document discusses complexation and protein binding. It defines complex compounds as molecules where some bonds cannot be described by classical valence theory. Complexation is the association of two molecules to form a non-covalently bonded entity with a stoichiometry. Ligands interact with central metal ions or atoms via coordinate bonds to form metal complexes. Protein binding is the formation of drug-protein complexes. Factors affecting protein binding include the drug's physicochemical properties, protein concentration and binding sites, drug interactions, and patient characteristics like age and disease state. Kinetics of protein binding influence drug absorption, distribution, metabolism, and elimination.
This document provides definitions and classifications of complex compounds. It defines complexes as molecules where most bonding structures can be described by classical theories but one or more bonds are anomalous. Complexes result from donor-acceptor reactions between Lewis acids and bases. They are divided into metal ion complexes, organic molecular complexes, and inclusion complexes. Metal complexes involve coordination between metal ions and ligands. Chelates form cyclic structures with multidentate ligands. Organic complexes involve weaker interactions like hydrogen bonding. Inclusion complexes entrap guest molecules in host structures like channels, layers, or cavities. Common examples of complexes and their properties are discussed.
This document provides an overview of molecular variation in homologous series and isosteric replacements for medicinal chemistry. It discusses different types of molecular variations such as variations based on homologous series with different biological response curves. It also discusses isosteric replacements, including the history and development of isosterism concepts. Current isosteric and bioisosteric modifications are presented. The document also discusses molecular variations based on ring transformations, homodimer and heterodimer ligands using the twin drug approach, and molecular variations in medicinal chemistry applications.
This document discusses the structure and properties of proteins. It begins with an introduction stating that proteins are polymers of amino acids and are involved in most body functions. It then discusses the primary, secondary, tertiary, and quaternary levels of protein structure. The primary structure is the amino acid sequence. Secondary structures include alpha helices and beta pleated sheets formed by hydrogen bonds. Tertiary structure is determined by interactions between amino acid side chains. Quaternary structure results from multiple polypeptide subunits aggregating. Proteins have various properties like solubility, molecular weight, and shape. They also have important functions like structure, enzymes, hormones, and more.
This document discusses different types of metal ion complexes and protein binding. It describes inorganic complexes containing ligands such as ammonia and cyanide. Chelates form more stable complexes due to multiple bonding sites for the metal. Organic molecular complexes involve weaker interactions like hydrogen bonding or charge transfer. Inclusion complexes trap one component within the lattice structure of the other. Common examples discussed include hexamine cobalt chloride, caffeine complexes, and drug polymer interactions.
This document discusses molecular variation in homologous series and isosteric replacements for drug discovery. It defines homologous series as molecules that differ by a methylene group, such as monoalkylated derivatives and cyclopolymethylenic compounds. Biological activity often follows a bell-shaped curve with increasing carbon chain length, peaking at an optimal partition coefficient for membrane crossing. Isosteric replacements involve substituting atoms or groups with others of similar size and electronic properties, allowing modification while maintaining biological activity, as seen with clozapine analogs. The concepts of homologous series and isosteric replacements are important tools in medicinal chemistry for analog design and drug discovery.
This document discusses methods for analyzing complexation and protein binding. It describes four main methods for determining the stoichiometric ratio and stability constant of complexes: continuous variation, pH titration, distribution, and solubility methods. It provides examples of how each method works and the types of calculations used. It also discusses kinetics of protein binding, describing protein-drug interactions and equations used to determine association constants and binding sites.
This document describes the synthesis and properties of polypyrrole/polyacrylamide composite hydrogels. Polypyrrole is used as the electro-conductive component within a cross-linked polyacrylamide hydrogel matrix. The effects of synthesis conditions and polypyrrole distribution on the structure, swelling ability, and mechanical properties of the composites are studied. The composite hydrogels combine the electrical characteristics of polypyrrole with the elasticity and swelling ability of the polyacrylamide hydrogel matrix.
This document provides an overview of polymer science. It begins with definitions, noting that a polymer is a large molecule formed by linking small repeating units called monomers. The document then covers various classifications of polymers based on their source, backbone, structure, and polymerization method. Applications of polymers in pharmaceutical formulations and drug delivery are discussed, along with mechanisms of drug release from polymers. The document also addresses viscosity, solvent selection, and common fabrication technologies for polymers.
The document discusses complexation and protein binding. It defines complexation as the process of combining individual atom groups, ions or molecules to create large ions or molecules. There are various types of complexes that are formed through different interactions. Applications of complexation include improving solubility, stability, and bioavailability of drugs. Methods for determining the stoichiometry of complexes include Job's method, mole ratio method, and slope ratio method which involve measuring a property of complexes formed at different concentration ratios. Protein binding is also discussed in relation to complexation and drug action.
This document discusses chelation and complexation. It defines chelation as the formation of ring-like structures when metal ions bind to organic or inorganic compounds. Chelation therapy involves administering chelating agents to remove heavy metals from the body. Common chelating agents include EDTA, DMSA, deferoxamine, and dimercaprol. Factors like pH and the charge of the chelator affect chelation. Chelation is used to treat metal poisoning and remove metals from pharmaceuticals. Complexation is the formation of complexes where a central metal atom is surrounded by ligands through charge transfer or hydrophobic interactions. Complexes can be metal ion complexes or organic molecular complexes.
1. Complex compounds are molecules where some bonds cannot be described by classical theories of valency and involve anomalous bonds.
2. Complexes form through interactions like coordination bonds, hydrogen bonds, and van der Waals forces between different chemical species.
3. Complexation can alter properties like solubility, conductivity, and chemical reactivity and is used in applications like increasing drug solubility, purification of water, drug analysis, and as anticoagulants.
Chemistry is the study of matter and its composition, structure, properties, and interactions. It is important to biology because it examines the chemical components, structures, and reactions that occur in living organisms. The collaboration between chemistry and biology gave rise to biochemistry, which studies the chemistry of living things. At the most basic level, cells contain proteins that are made up of carbon, hydrogen, nitrogen, and other atoms.
Applications of click chemistry in drug discoveryrita martin
his article focus mainly on click chemistry mechanisms and its applications, click chemistry is an easy way to generate substances quickly and reliably by joining small units together, with this ease of use mechanism, click chemistry as found its applications in various technologies especially in drug discovery ,medicinal chemistry, enzyme activity, chemistry natural products, material science, polymers, nanotechnology and bioconjugation
Carbohydrates metabolism and lipids biosynthesis and oxidationDr Kirpa Ram Jangra
Carbohydrates are organic compounds that serve as an important energy source. They typically break down to release energy through metabolism. The document discusses carbohydrate metabolism, including glycolysis, which involves breaking glucose down into pyruvate or lactic acid. Glycolysis yields ATP and NADH and is divided into preparatory and energy-yielding phases involving 10 steps that phosphorylate, isomerize, and break down glucose.
- The document discusses protein metabolism and nitrogen fixation. It covers the classification of proteins based on their structure, composition, and functions. There are four levels of protein structure - primary, secondary, tertiary, and quaternary.
- The primary structure is the linear sequence of amino acids. The secondary structure involves folding into alpha helices or beta sheets via hydrogen bonding. Tertiary structure describes the overall 3D shape formed by interactions between amino acid R groups. Quaternary structure applies to proteins with multiple polypeptide chains that combine to form complexes.
- Proteins are classified as globular, fibrous, or intermediate based on their shape. They can also be simple or conjugated based on composition
This document summarizes a review article about metal-organic framework (MOF)-based engineered materials and their applications. The review discusses the fundamentals and current uses of MOFs in electrocatalysis, photocatalysis, and biocatalysis. MOFs are crystalline porous materials constructed from organic ligands and inorganic connectors. Their tunable structures, high surface areas, and functionalities make them promising for applications in catalysis, gas storage, drug delivery, and more. The review examines the electrocatalytic, photocatalytic, and biomedical properties of MOFs and MOF-based composites. It also discusses synthesis methods and classifications of MOFs.
The Influence of a New-Synthesized Complex Compounds of Ni (II), Cu (II) And ...IOSR Journals
This document describes the synthesis and characterization of new macrocyclic complex compounds containing nickel(II), copper(II), and iron(II) coordinated with a ligand containing a tetraoxotetrahydrazin moiety. The complexes were characterized using techniques such as elemental analysis, UV-visible and IR spectroscopy, and magnetic moment measurements. The complexes were then tested for antibacterial activity against 14 pathogenic bacteria and compared to a standard antibiotic. The results indicate that the new complexes show potential as antimicrobial agents.
This document describes the synthesis and characterization of new macrocyclic complex compounds containing nickel(II), copper(II), and iron(II) coordinated with a ligand containing a tetraoxotetrahydrazin moiety. The complexes were characterized using techniques such as elemental analysis, UV-visible and IR spectroscopy, and magnetic moment measurements. The complexes were then tested for antibacterial activity against 14 pathogenic bacteria and compared to a standard antibiotic. The results indicate that the new complexes show potential as antimicrobial agents.
Metal-organic molybdenum complexes were synthesized by the hydrothermal method using ammonium heptamolybdate as the metallic source, and as the organic ligand terephthalic acid (BDC) or bis(2-hydroxyethyl) terephthalate (BHET), obtained via glycolysis of poly(ethylene)terephthalate (PET). The BDC-Mo and BHET-Mo complexes were characterized by XRD, N2 physisorption, TGA, ATR-FTIR, SEM, XPS and their in vitro biocompatibility was tested by porcine fibroblasts viability. The results show that molybdates (MoO4-2) are coordinated to the carbonyl functional groups of BDC and BHET by urea bonding (-NH-CO-NH-) which is related to their high biocompatibility and high thermal stability. These organic molybdate complexes possess rectangular prism particles made up of rods arrays characteristics of molybdenum oxides (MoO3). The organic complexes BDC-Mo and BHET-Mo do not show to be cytotoxic for porcine dermal fibroblasts growing on their surface for up to 48 h of culture.
JBEI Research Highlights Slides - July 2022SaraHarmon4
Anaerobic fungi produce a wealth of enzymes that can act on cellulose, hemicellulose, and lignin. These enzymes show promise for accelerating the breakdown of lignocellulose for industrial applications like chemical and fuel production. Molecular dynamics simulations provide insights into how these enzymes may interact with lignocellulose and enable its breakdown. This could allow enzymes from anaerobic fungi to be applied industrially.
Biochemical ontologies aim to capture and represent biochemical entities and the relations that exist between them in an accurate manner. A fundamental starting point is biochemical identity, but our current approach for generating identifiers is haphazard and consequently integrating data is error-prone. I will discuss plausible structure-based strategies for biochemical identity whether it be at molecular level or some part thereof (e.g. residues, collection of residues, atoms, collection of atoms, functional groups) such that identifiers may be generated in an automatic and curator/database independent manner. With structure-based identifiers in hand, we will be in a position to more accurately capture context-specific biochemical knowledge, such as how a set of residues in a binding site are involved in a chemical reaction including the fact that a key nitrogen atom must first be de-protonated. Thus, our current representation of biochemical knowledge may improve such that manual and automatic methods of bio-curation are substantially more accurate.
This document summarizes biological processes for converting carbon dioxide and hydrogen into liquid fuels and chemicals. It discusses several microorganisms and pathways being developed for this purpose, known as "electrofuels". These include Ralstonia eutropha and Clostridium ljungdahlii, which can fix carbon dioxide via the Calvin-Benson-Bassham cycle or Wood-Ljungdahl pathway respectively. The document also reviews computational analyses of carbon fixation pathways and their relative energetic costs for producing biomass and fuels.
The document summarizes a student research project investigating the design of short peptide amphiphiles that can bind transition metal ions. The student synthesized a peptide called C16-AHLHL3K3 and used various characterization techniques. Results showed the peptide formed beta-pleated sheet fibers under certain conditions and was able to bind transition metals like cobalt. This demonstrates the potential for short peptides to have transition metal binding sites and possibly enzymatic capabilities.
This document provides an introduction to biochemistry for nurses. It defines biochemistry as the chemistry of biological systems and explains that biomolecules like amino acids, sugars, and nucleic acids make up macromolecules and living things. The key characteristics of living systems are described as highly organized, having functional structures, undergoing energy transformations, and being efficient at self-replication. The document also explains that carbon is the most abundant element in biomolecules due to its ability to form diverse structures through covalent bonding. Finally, it describes the hierarchy of molecular components in a cell from precursors to organelles and the weak interactions that link supramolecular complexes.
Elastic properties of various poly(hydroxybutyrate) (PHB) molecular conformations were examined using molecular mechanics calculations. Force-distance functions and Young's moduli were computed by stretching PHB molecules. Unwinding the helical conformation is initially characterized by a Young's modulus of 1.8 GPa. At higher strains, the helix transforms into a highly extended twisted form. In contrast to paraffins, planar PHB is bent, attaining maximum length in straightened but twisted conformations. Single-chain moduli depend on chain extension. Computed data were used to analyze elastic response of tie molecules in the interlamellar region of semi-crystalline PHB and how their
This document discusses bioinorganic chemistry concepts related to oxygen transport and binding. It begins by outlining the relevance of bioinorganic chemistry and how oxygen is a key player. It then discusses hemoglobin and its reversible oxygen binding, explaining the differential binding abilities of hemoglobin and myoglobin. The document attributes this difference to their structural properties. It further explores the cooperativity effect in hemoglobin due to structural changes upon oxygen binding. In summary, the document examines how inorganic elements and oxygen play important roles in biological processes related to respiration and energy transduction.
Andrew Fielding's doctoral research focused on understanding the mechanism of O2 activation and catalysis by two similar catechol dioxygenases: Fe(II)-homoprotocatechuate 2,3-dioxygenase (Fe-HPCD) and Mn(II)-MndD. He prepared and characterized the cobalt-substituted variant of HPCD, which showed higher activity than Mn- or Fe-HPCD despite Co(II) being a poorer reducing agent. Using electron-poor substrate analogs, he was able to trap and characterize three O2 intermediates by EPR, providing new insights into dioxygenase mechanisms. Comparing the properties of different metal-substituted enzymes allowed full characterization
The document provides information about an upcoming chemistry lab class including required dress and that there are no assignments due the first week. It then summarizes the key topics to be covered in Chapter 2 including the four major classes of organic compounds (carbohydrates, lipids, proteins, nucleic acids). Carbohydrates are discussed in detail, noting that they are made of carbon, hydrogen, and oxygen and can exist as monosaccharides (simple sugars), disaccharides, or polysaccharides. Examples such as glycogen, starch, and cellulose are provided.
This document summarizes the engineering and characterization of a soluble cytoplasmic subcomplex (C-MBH) of the membrane-bound respiratory hydrogenase (MBH) from the hyperthermophilic archaeon Pyrococcus furiosus. The researchers engineered a P. furiosus strain that differentially expresses the 14-gene MBH operon, producing a 4-subunit C-MBH complex containing an affinity tag. They purified the C-MBH using affinity chromatography without detergent. The purified C-MBH had catalytic activity and generated hydrogen from the physiological electron donor reduced ferredoxin, optimally at 60°C. This is the first report of engineering and characterizing a soluble
Green synthesis of iron-organic framework Fe-BTC using direct ultrasound to r...IJAEMSJORNAL
Metal-organic framework materials (MOFs) comprise organic bridges and metal centers (as connection points). MOFs have unique properties such as crystal structure, large specific surface area, flexible structural framework, and can change the size and shape of pores and diverse chemical functional groups inside the pores. In this study, metal-organic framework materials based on iron (Fe) and the organic ligand H3BTC were successfully synthesized by ultrasonic method and evaluated for their ability to remove MB dye through Investigate the effects of MB concentration, pH, isotherm model, and adsorption kinetics. With a size of about 100 - 200 nm and an excitation wavelength in the ultraviolet region, the synthesized material shows potential in environmental treatment when the adsorption efficiency reaches over 60% after just 10 minutes and over 80% both processes under sunlight conditions. In addition, the synthesized material is also evaluated to have selective adsorption with Methylene Blue dye.
One pot synthesis of cu(ii) 2,2′ bipyridyl complexes of 5-hydroxy-hydurilic acidrkkoiri
This document describes the one-pot synthesis of two new copper(II) complexes containing the ligands 5-hydroxy-hydurilic acid (complex 1) and alloxanic acid (complex 2) from the reaction of a barbiturate derivative (LH4) with Cu(II) 2,2'-bipyridyl complexes. It also reports the synthesis of a third complex (complex 3) from the reaction of LH4 with copper nitrate that retains the ligand framework. The complexes were characterized using X-ray crystallography, spectroscopy, and electrochemistry. Complexes 1 and 3 were found to cleave DNA and showed cytotoxic activity against cancer cells, while complex 2 was insoluble and not
One pot synthesis of cu(ii) 2,2′ bipyridyl complexes of 5-hydroxy-hydurilic acidrkkoiri
This document describes the one-pot synthesis of three copper(II) complexes with 2,2'-bipyridine and derivatives of a barbiturate ligand. Complex 1 contains 5-hydroxy-hydurilic acid, complex 2 contains alloxanic acid, and complex 3 retains the original barbiturate ligand framework. The complexes were characterized using X-ray crystallography, spectroscopy, and thermal analysis. Their interactions with DNA were studied through absorption and emission titrations as well as circular dichroism. Complexes 1 and 3 were found to cleave plasmid DNA. Their cytotoxicity against T-cell lymphoma cells was also evaluated.
This document provides an overview of the field of chemoinformatics. It defines chemoinformatics as the combination of chemistry and information technology used to process and analyze chemical data. The document discusses common representations of molecules including 1D, 2D, and 3D formats. It also outlines several common file formats used in chemoinformatics like Mol, SDF, and SMILES. Finally, it describes several important chemical databases, including PubChem, ChemBank, ChEMBL, and DrugBank, and gives examples of chemoinformatics applications such as virtual screening and QSAR modeling.
Encyclopedia of physical science and technology polymers 2001PaReJaiiZz
This document provides a table of contents for an encyclopedia on physical science and technology. It lists 14 articles related to polymers, including biopolymers, macromolecules, plastics engineering, polymer processing, and polymers with various electronic, mechanical, photoresponsive, and thermal properties. Each article is 1-3 pages long and provides information on a specific topic within the subject area of polymers.
Catalyst Advancements in Microbial Fuel Cells: Pioneering Renewable Energy So...piyushpandey409164
Microbial Fuel Cells (MFCs) harness the power of microorganisms to convert organic matter into electricity while treating wastewater. By utilizing various biomass sources like wood, food waste, and sewage sludge, MFCs offer a sustainable solution for renewable energy production without competing with food sources. Originally conceptualized in 1911 by Potter, MFC technology has evolved, utilizing catalysts like Escherichia coli and Saccharomyces cerevisiae, and electrodes such as platinum. Over time, advancements have led to the elimination of artificial mediators, with bacteria directly transferring electrons to electrodes. MFCs stand as a promising avenue for clean energy generation, aligning with the imperative to mitigate climate change and reduce reliance on fossil fuels.
Similar to C–H bond hydroxylation at non heme carboxylate-bridged diiron centers (20)
CH Functionalizations on Electron-Deficient Aromatics in the synthesis of Pi-...Daniel Morton
This document discusses the use of C-H functionalization catalysis to incorporate electron-deficient moieties into conjugated materials without needing to first install reactive halides or stannanes. Electron-deficient moieties are important for electronic materials as they can tune optical properties and transport characteristics. Direct C-H functionalization avoids harsh halogenation steps and bypasses instability issues of stannanes. Examples are given of one-pot syntheses using this approach to obtain up to 96% yields of differentially substituted electron-accepting building blocks. Challenges include controlling reaction selectivity when multiple C-H bonds on a moiety could potentially react.
Collagen is made up of the repeating pattern Glycine-X-Y, where X and Y are commonly L-proline (Pro) and 4(R)-hydroxy-l-proline (Hyp), respectively. By substituting X and Y with a fluorine probe, stereoelectronic effects can be observed and compared to the effects of hydrogen bonding which has been predicted to be the main contributor to the collagen triple helix strength.
Contributed by: Alexandra Zudova, Samuel Broadbent (Undergraduates), University of Utah, 2013
Bio inspired metal-oxo catalysts for c–h bond functionalizationDaniel Morton
Metal-oxo complexes are important species in the activation of strong C–H bonds in biological systems. The high reactivity of metal-oxo complexes results from the way their valence electrons are arranged, and this arrangement depends strongly on the geometry around the metal center.
Contributed by: A.S. Borovik and Sarah Cook, University of California-Irvine, 2014
A carbene is any neutral carbon species which contains a non-bonding valance pair of electrons.
Contributed by Alison Brown & Nathan Buehler, Undergraduates, University of Utah
The document discusses the Hammett plot, which is a linear free-energy relationship analysis used to model the electronic effects of substituents on aromatic systems. It describes how σ values are derived from ionization reactions to indicate whether a substituent is electron-donating or electron-withdrawing. These σ values can then be used to analyze reaction mechanisms and optimize reaction conditions for similar processes. Examples are given of how split Hammett plots reveal changing mechanisms depending on the electronic nature of the substituent. Problems involving interpreting ρ values in Hammett plots to determine reaction pathways are also presented.
Organic Pedagogical Electronic Network
Aryl Fluorination
This document summarizes aryl fluorination, an important reaction for introducing fluorine groups onto aromatic rings. It notes that two of the top 10 grossing drugs, Lipitor and Reserdal, contain aryl fluorines. The mechanism proceeds through oxidation of an aryl group to a high valent metal species, followed by transmetalation and reductive elimination to introduce the fluorine. Examples are given of stoichiometric and catalytic aryl fluorination reactions using Selectfluor and silver oxide catalysts.
The allylic position is the atom bound to a double bonded atom. The substituents on the allylic carbon and the doubly bonded atoms can result in allylic strain.
Contributed by: Sophia Robinson, (Undergraduate), Physical Organic Chemistry I, CHEM 7240 (Sigman), University of Utah, 2015
A 1,3-dipolar cycloaddition is a fascinating and diverse reaction that can be used in stepwise syntheses of large molecules, such as masked aldol reactions, and has potential biological applications. While it is an incredibly useful reactions, is also has a simple mechanism.
Contributed by: Created by Alexandra Kent and Judy Zhu (Undergraduates)Edited by Margaret Hilton
Honors Organic Chemistry
University of Utah
This document summarizes work on the Heck reaction and redox-relay Heck reaction. It provides background on the Heck reaction and its applications. It then discusses chain-walking in the Heck reaction where the palladium catalyst migrates down an alkyl chain, producing alkene isomers. It introduces Sigman's work developing a redox-relay Heck reaction where chain-walking of palladium is controlled by an alcohol thermodynamic sink on the substrate, transferring unsaturation to form aldehydes or ketones. It is authored by Margaret Hilton from the Sigman Lab at the University of Utah in 2014.
Stability and reactions of n heterocyclic carbenesDaniel Morton
1) N-heterocyclic carbenes (NHCs) are stable two-coordinate carbon compounds that were first synthesized in 1991. Their stability is due to mesomeric and inductive effects from the nitrogen atoms that make the carbenes strong π-donors and weak σ-acceptors.
2) The thermodynamics of dissociation were studied for a bis(benzimidazol-2-ylidene), finding an enthalpy of 13.7 kcal/mol and entropy of 30.4 cal/mol*K. NHCs were also ranked based on their acidity.
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This unit provides an overview of the different strategies that have been develop to selectively functionalize the 2,3 and 4 positions of pyridine units.
Contributed by the Sarpong Group, UC-Berkeley, 2013
The Brønsted catalysis relationship is a Linear Free Energy Relationship (LFER) that relates ionization of an acid or base which catalyzes a reaction and the rate of the reaction.
Contributed by: Quincy Davis, Jonathan Greenhalgh, Joshua Visser (Undergraduates), University of Utah, 2016
Tunneling is a phenomenon of Quantum Mechanics in which particles, with a small amount of probability, are able to “tunnel” or travel through a large, finite potential energy (PE) barrier instead of traveling over the barrier as Classic Mechanics dictates should occur.
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The Prins-Pinacol reaction is a two-step process that begins with the Prins reaction, where an alkene attacks an aldehyde activated by a Lewis acid to form a cationic intermediate. This is followed by a pinacol rearrangement, where a methyl shift pushes the cation onto an oxygen. The reaction forms complex natural product backbones and allows stereoselective tetrahydropyran synthesis. Driving forces include increased stability of the carbocation intermediate and relief of ring strain. The Lewis acid activates the aldehyde for attack.
When substrates are put in solution, the solvent molecules can organize themselves around a charged species to stabilize it. Solvents can stabilize a charge most effectively when the charge on the substrate is easy to get to.
Contributed by: Jamie Allen, Jacqueline Pasek-Allen, Sarah Lefave (Undergraduates), University of Utah, 2016
Solvation can be defined as any stabilizing interaction of a solute (or solute moiety) and the solvent. These interactions can be weak, purely electrostatic, as is the case with non-polar solutes and solvents, or more significant, involving the interactions between dipole moments or between dipoles and formal charges.
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Hyperconjugation is the donation of a sigma bond into an adjacent empty or partially filled p orbital, which results in an increased stability of the molecule.
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A substituent effect is the change in a molecule’s reactivity when a substituent on the molecule is changed. In 1935, Louis Hammett designed a scale to measure influence of various substituents (X) at the meta- or para- positions on the acidity of benzoic acid.
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An overview of the use of the Marcus Theory to calculate the energies of transition states.
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The binding of cosmological structures by massless topological defectsSérgio Sacani
Assuming spherical symmetry and weak field, it is shown that if one solves the Poisson equation or the Einstein field
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field capable of driving flat rotation (i.e. Keplerian circular orbits at a constant speed for all radii) of test masses on a thin
spherical shell without any underlying mass. Moreover, a large-scale structure which exploits this solution by assembling
concentrically a number of such topological defects can establish a flat stellar or galactic rotation curve, and can also deflect
light in the same manner as an equipotential (isothermal) sphere. Thus, the need for dark matter or modified gravity theory is
mitigated, at least in part.
Remote Sensing and Computational, Evolutionary, Supercomputing, and Intellige...University of Maribor
Slides from talk:
Aleš Zamuda: Remote Sensing and Computational, Evolutionary, Supercomputing, and Intelligent Systems.
11th International Conference on Electrical, Electronics and Computer Engineering (IcETRAN), Niš, 3-6 June 2024
Inter-Society Networking Panel GRSS/MTT-S/CIS Panel Session: Promoting Connection and Cooperation
https://www.etran.rs/2024/en/home-english/
Travis Hills' Endeavors in Minnesota: Fostering Environmental and Economic Pr...Travis Hills MN
Travis Hills of Minnesota developed a method to convert waste into high-value dry fertilizer, significantly enriching soil quality. By providing farmers with a valuable resource derived from waste, Travis Hills helps enhance farm profitability while promoting environmental stewardship. Travis Hills' sustainable practices lead to cost savings and increased revenue for farmers by improving resource efficiency and reducing waste.
Immersive Learning That Works: Research Grounding and Paths ForwardLeonel Morgado
We will metaverse into the essence of immersive learning, into its three dimensions and conceptual models. This approach encompasses elements from teaching methodologies to social involvement, through organizational concerns and technologies. Challenging the perception of learning as knowledge transfer, we introduce a 'Uses, Practices & Strategies' model operationalized by the 'Immersive Learning Brain' and ‘Immersion Cube’ frameworks. This approach offers a comprehensive guide through the intricacies of immersive educational experiences and spotlighting research frontiers, along the immersion dimensions of system, narrative, and agency. Our discourse extends to stakeholders beyond the academic sphere, addressing the interests of technologists, instructional designers, and policymakers. We span various contexts, from formal education to organizational transformation to the new horizon of an AI-pervasive society. This keynote aims to unite the iLRN community in a collaborative journey towards a future where immersive learning research and practice coalesce, paving the way for innovative educational research and practice landscapes.
Unlocking the mysteries of reproduction: Exploring fecundity and gonadosomati...AbdullaAlAsif1
The pygmy halfbeak Dermogenys colletei, is known for its viviparous nature, this presents an intriguing case of relatively low fecundity, raising questions about potential compensatory reproductive strategies employed by this species. Our study delves into the examination of fecundity and the Gonadosomatic Index (GSI) in the Pygmy Halfbeak, D. colletei (Meisner, 2001), an intriguing viviparous fish indigenous to Sarawak, Borneo. We hypothesize that the Pygmy halfbeak, D. colletei, may exhibit unique reproductive adaptations to offset its low fecundity, thus enhancing its survival and fitness. To address this, we conducted a comprehensive study utilizing 28 mature female specimens of D. colletei, carefully measuring fecundity and GSI to shed light on the reproductive adaptations of this species. Our findings reveal that D. colletei indeed exhibits low fecundity, with a mean of 16.76 ± 2.01, and a mean GSI of 12.83 ± 1.27, providing crucial insights into the reproductive mechanisms at play in this species. These results underscore the existence of unique reproductive strategies in D. colletei, enabling its adaptation and persistence in Borneo's diverse aquatic ecosystems, and call for further ecological research to elucidate these mechanisms. This study lends to a better understanding of viviparous fish in Borneo and contributes to the broader field of aquatic ecology, enhancing our knowledge of species adaptations to unique ecological challenges.
The use of Nauplii and metanauplii artemia in aquaculture (brine shrimp).pptxMAGOTI ERNEST
Although Artemia has been known to man for centuries, its use as a food for the culture of larval organisms apparently began only in the 1930s, when several investigators found that it made an excellent food for newly hatched fish larvae (Litvinenko et al., 2023). As aquaculture developed in the 1960s and ‘70s, the use of Artemia also became more widespread, due both to its convenience and to its nutritional value for larval organisms (Arenas-Pardo et al., 2024). The fact that Artemia dormant cysts can be stored for long periods in cans, and then used as an off-the-shelf food requiring only 24 h of incubation makes them the most convenient, least labor-intensive, live food available for aquaculture (Sorgeloos & Roubach, 2021). The nutritional value of Artemia, especially for marine organisms, is not constant, but varies both geographically and temporally. During the last decade, however, both the causes of Artemia nutritional variability and methods to improve poorquality Artemia have been identified (Loufi et al., 2024).
Brine shrimp (Artemia spp.) are used in marine aquaculture worldwide. Annually, more than 2,000 metric tons of dry cysts are used for cultivation of fish, crustacean, and shellfish larva. Brine shrimp are important to aquaculture because newly hatched brine shrimp nauplii (larvae) provide a food source for many fish fry (Mozanzadeh et al., 2021). Culture and harvesting of brine shrimp eggs represents another aspect of the aquaculture industry. Nauplii and metanauplii of Artemia, commonly known as brine shrimp, play a crucial role in aquaculture due to their nutritional value and suitability as live feed for many aquatic species, particularly in larval stages (Sorgeloos & Roubach, 2021).
The technology uses reclaimed CO₂ as the dyeing medium in a closed loop process. When pressurized, CO₂ becomes supercritical (SC-CO₂). In this state CO₂ has a very high solvent power, allowing the dye to dissolve easily.
Authoring a personal GPT for your research and practice: How we created the Q...Leonel Morgado
Thematic analysis in qualitative research is a time-consuming and systematic task, typically done using teams. Team members must ground their activities on common understandings of the major concepts underlying the thematic analysis, and define criteria for its development. However, conceptual misunderstandings, equivocations, and lack of adherence to criteria are challenges to the quality and speed of this process. Given the distributed and uncertain nature of this process, we wondered if the tasks in thematic analysis could be supported by readily available artificial intelligence chatbots. Our early efforts point to potential benefits: not just saving time in the coding process but better adherence to criteria and grounding, by increasing triangulation between humans and artificial intelligence. This tutorial will provide a description and demonstration of the process we followed, as two academic researchers, to develop a custom ChatGPT to assist with qualitative coding in the thematic data analysis process of immersive learning accounts in a survey of the academic literature: QUAL-E Immersive Learning Thematic Analysis Helper. In the hands-on time, participants will try out QUAL-E and develop their ideas for their own qualitative coding ChatGPT. Participants that have the paid ChatGPT Plus subscription can create a draft of their assistants. The organizers will provide course materials and slide deck that participants will be able to utilize to continue development of their custom GPT. The paid subscription to ChatGPT Plus is not required to participate in this workshop, just for trying out personal GPTs during it.
2. C–H bond Hydroxylation at Carboxylate-Bridged Diiron Centers
(1)Friedle, S. et al. Chem. Soc. Rev., 2010, 39, 2768-2779.
(2)Kopp, D. A. et al. Curr. Opin. Chem. Biol., 2002, 6, 568-576.
In biology, a family of metalloproteins called
bacterial multicomponent monooxygenases
(BMMs) catalyze the hydroxylation of strong
C–H bonds using dioxygen (O2) as the
oxidant. Soluble methane monooxygenase
(sMMO) is one of the most widely-studied
protein in this family which converts methane
(CH4) to methanol (CH3OH) using O2. The
soluble hydroxylase component (sMMOH) is
responsible for dioxygen activation and
substrate hydroxylation. In particular MMOH
contains a carboxylate-bridged non-heme
diiron active site.1
Overview: General Reaction
Active site of sMMOH in its reduced state2
3. Mechanistic Overview
Overall changes in the diiron core
upon activating dioxygen:
(1)Rosenzweig, A. C. et al. Nature, 1993, 366, 537.
(2)Tshuva E. Y. et al. Chem. Rev., 2004, 104, 987-1012.
Detailed Mechanism:
4. Synthetic Models – Bioinspired Catalyst Design
(1) Du Bois, J. et al. Coord. Chem. Rev. 2000, 443, 200-202.
(2) Jones, M. B. et al. Inorg. Chem. 2011, 50, 6402-6405.
Synthetic carboxylate-bridged diiron(II) complexes have been extensively studied as both
structural and functional models of these active sites.1
Jones et al. report a diiron(II) complex (shown above) containing two bridging amidate
ligands as a functional model of diiron(II) hydroxylase.2 These studies suggest bridging
amidate ligands may be used in synthetic functional models of diiron enzymes that activate
dioxygen and C-H bonds
5. Problems
Nature has evolved to allow diiron carboxylate-bridged systems such as in MMOH
to selectively convert methane to methanol in methanotrophic bacteria.
1. Compare the active site of MMOH to those metalloenzymes that host a non-
heme mononuclear iron center. What are the major differences in their motifs
that dictate the differences in reactivity?
1. Modeling the chemistry of non-heme diiron proteins such as MMOH is very
challenging. In functional synthetic models of MMOH, what are the key
components that allow for similar catalytic reactivity such as in the protein?
6. This work is licensed under a
Creative Commons Attribution-
ShareAlike 4.0 International
License.
Contributed by:
Omar Villanueva, Cora MacBeth
Emory University, 2014