Binding mechanisms in supramolecular complexes

HJ Schneider - Angewandte Chemie International Edition, 2009‏ - Wiley Online Library
Forces to reckon with: Supramolecular complexes, such as the one shown, are normally
based on a combination of different interactions such as ion pairing, hydrogen bonds, and …

Why are proteins charged? Networks of charge–charge interactions in proteins measured by charge ladders and capillary electrophoresis

I Gitlin, JD Carbeck… - Angewandte Chemie …, 2006‏ - Wiley Online Library
Almost all proteins contain charged amino acids. While the function in catalysis or binding of
individual charges in the active site can often be identified, it is less clear how to assign …

[ספר][B] Atoms in molecules

PLA Popelier, F Aicken, S O'Brien - 2000‏ - researchgate.net
1.1 What Is AIM?±The theory of``Atoms in Molecules''(AIM) is an interpretative theory which
aims to recover chemical insight from modern highresolution electron densities. 1 These …

Resonance‐assisted hydrogen bonding as a driving force in synthesis and a synthon in the design of materials

KT Mahmudov, AJL Pombeiro - Chemistry–A European …, 2016‏ - Wiley Online Library
Resonance‐assisted hydrogen bonding (RAHB), a concept introduced by Gilli and co‐
workers in 1989, concerns a kind of intramolecular H‐bonding strengthened by a …

Why enzymes are proficient catalysts: beyond the Pauling paradigm

X Zhang, KN Houk - Accounts of chemical research, 2005‏ - ACS Publications
Pauling proposed that “enzymes are molecules that are complementary in structure to the
activated complexes of the reactions that they catalyze,...,[rather than] entering into …

Ground state and transition state contributions to the rates of intramolecular and enzymatic reactions

TC Bruice, FC Lightstone - Accounts of chemical research, 1999‏ - ACS Publications
Reactions within enzyme-substrate (E ‚S) complexes share with intramolecular reactions the
close proximity of reactants. This proximity effect results in a much larger numerical value of …

Density functional theory and FTIR spectroscopic study of carboxyl group

M Ibrahim, A Nada, DE Kamal - 2005‏ - nopr.niscpr.res.in
Both molecular modelling and FTIR have been used to study carboxyl group among acetic
acid, potassium and sodium acetate, glycine, sodium salicylate, salicylic acid and cellulose …

MOF‐Based Solid‐State Proton Conductors Obtained by Intertwining Protic Ionic Liquid Polymers with MIL‐101

S Zhang, Y **e, RJ Somerville, FF Tirani, R Scopelliti… - Small, 2023‏ - Wiley Online Library
Solid‐state proton conductors based on the use of metal–organic framework (MOF)
materials as proton exchange membranes are being investigated as alternatives to the …

Simulating enzyme reactions: challenges and perspectives

MJ Field - Journal of computational chemistry, 2002‏ - Wiley Online Library
Elucidating how enzymes enhance the rates of the reactions that they catalyze is a major
goal of contemporary biochemistry, and it is an area in which computational and theoretical …

Bis-tridentate N-heterocyclic carbene Ru (II) complexes are promising new agents for photodynamic therapy

RT Ryan, KC Stevens, R Calabro, S Parkin… - Inorganic …, 2020‏ - ACS Publications
Ruthenium (II) complexes developed for photodynamic therapy (PDT) are almost exclusively
tris-bidentate systems with C2 or D 3 symmetry. This is due to the fact that this structural …