Results 291 to 300 of about 11,630,444 (338)

Controlling Chemical Reactivity with Antibodies

Science, 1993
The remarkable specificity of an antibody molecule has been used to accomplish highly selective functional group transformations not attainable by current chemical methods. An antibody raised against an amine-oxide hapten catalyzes the reduction of a diketone to a hydroxyketone with greater than 75:1 regioselectivity for one of two nearly equivalent ...
Hsieh-Wilson, Linda C., Yonkovich, Shirlee, Kochersperger, Lynn, Schultz, Peter G.   +3 more
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Adsorption of basic dyes onto activated carbon: Experimental and theoretical investigation of chemical reactivity of basic dyes using DFT-based descriptors

Applications of Surface Science, 2018
Adsorption of basic dyes, basic blue 26 (BB26), basic green 1 (BG1), basic yellow 2 (BY2) and basic red 1 (BR1) onto activated carbon surfaces were investigated.
Thielle Nayara Vieira de Souza, S. M. L. de Carvalho, M. G. Vieira, M. G. Carlos da Silva, D. Brasil   +4 more
semanticscholar   +1 more source

The Problem of Chemically Reactive Metabolites

Drug Metabolism Reviews, 1982
(1982). The Problem of Chemically Reactive Metabolites. Drug Metabolism Reviews: Vol. 13, No. 6, pp. 941-961.
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On the Foundations of Chemical Reactivity Theory

The Journal of Physical Chemistry A, 2007
In formulating chemical-reactivity theory (CRT) so as to give it a deep foundation in density-functional theory (DFT), Parr, his collaborators, and subsequent workers have introduced reactivity indices as properties of isolated reactants, some of which are in apparent conflict with the underlying DFT. Indices which are first derivatives with respect to
Morrel H, Cohen, Adam, Wasserman
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Topological Aspects of Chemical Reactivity

Zeitschrift für Physikalische Chemie, 1984
A simple formalism is proposed allowing to characterise the nature of chemical reactions. In comparison with existing techniques the presented method does not require to perform either quantum chemical calculations or to use the group theory. This makes the method convenient not only for pedagogical purposes but also as a routine tool for organic ...
openaire   +1 more source

A DFT prediction on the chemical reactivity of novel azolethione derivatives as chelating agents: Implications for copper minerals flotation and copper corrosion inhibition

Journal of the Taiwan Institute of Chemical Engineers / Elsevier, 2018
Azolethione derivatives have attracted much attention in coordination chemistry, but their engineering applications as metal corrosion inhibitors or flotation collectors remain underexplored.
Xianglin Yang, Yao-Guo Huang, Guang-Yi Liu, Jun Liu, Long Ma, Xia Niu, Xiao-Yan Qu   +6 more
semanticscholar   +1 more source

Solvent Effects on Chemical Reactivity

Bulletin des Sociétés Chimiques Belges, 1982
Abstract
openaire   +1 more source

The activation strain model of chemical reactivity

Organic & Biomolecular Chemistry, 2010
Herein, we provide an account of the activation strain model of chemical reactivity and its recent applications. In this model, the potential energy surface DeltaE(zeta) along the reaction coordinate zeta is decomposed into the strain DeltaE(strain)(zeta) of the increasingly deformed reactants plus the interaction DeltaE(int)(zeta) between these ...
van Zeist, W.J., Bickelhaupt, F.M.
openaire   +3 more sources

Understanding the chemically-reactive proteome

Molecular BioSystems, 2015
Abstract The reactivity of amino acid residues in proteins is context-dependent and difficult to predict. Chemical biology can be used to understand the chemical modifications of proteins to help elucidate the nature of the reactive proteome.
openaire   +2 more sources

Interfacial chemical reactivity enhancement

The Journal of Chemical Physics
Interfacial enhancements of chemical reaction equilibria and rates in liquid droplets are predicted using a combined theoretical and experimental analysis strategy. Self-consistent solutions of reaction and adsorption equilibria indicate that interfacial reactivity enhancement is driven primarily by the adsorption free energy of the product (or ...
openaire   +2 more sources