Multiscale Modeling and Simulation of Organic Solar Cells [PDF]
, 2012 In this article, we continue our mathematical study of organic solar cells (OSCs) and propose a two-scale (micro- and macro-scale) model of heterojunction OSCs with interface geometries characterized by an arbitrarily complex morphology.
Bagnis +41 more
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Differential interaction of glimepiride and glibenclamide with the β-cell sulfonylurea receptor I. Binding characteristics [PDF]
, 1994 Glimepiride is a novel sulfonylurea drug for treatment of non-insulin-dependent diabetes mellitus with higher blood sugar lowering efficacy in diabetic patients than glibenclamide raising the question whether this characteristics is in line with ...
Aguilar-Bryan +35 more
core +1 more source
NMR Line Shape Analysis of a Multi-state Ligand Binding Mechanism in Chitosanase [PDF]
, 2017 Chitosan interaction with chitosanase was examined through analysis of spectral line shapes in the NMR HSQC titration experiments. We established that the substrate, chitosan hexamer, binds to the enzyme through the three-state induced-fit mechanism with
Brzezinski, Ryszard +7 more
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Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8 [PDF]
, 2015 The thermal dissociation of octafluorocyclobutane, c-C4F8, was studied in shock waves over the range 1150-2300 K by recording UV absorption signals of CF2.
Cobos, Carlos Jorge +5 more
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The Dissociation Constants of Tetrahydrofolic Acid
Journal of Biological Chemistry, 1966 Six dissociable groups exist in tetrahydrofolic acid in the range H0 -3.0 to pH 14. The assignments in tetrahydrofolic acid by titrimetric and spectrophotometric comparisons with model compounds, p-aminobenzoylglutamic acid and 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-4-pteridinone, are as follows: acidic ionization of amide, pK' 10.5; N5, pK' 4.82; γ ...
R G, Kallen, W P, Jencks
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PLoS ONE, 2011 To understand the underlying mechanisms of significant differences in dissociation rate constant among different inhibitors for HIV-1 protease, we performed steered molecular dynamics (SMD) simulations to analyze the entire dissociation processes of ...
Dechang Li +3 more
doaj +1 more source
Macedonian Journal of Chemistry and Chemical Engineering, 2006 The behaviour of some newly synthesized derivatives of 1,2,4-triazoline-3-thione (4-butyl-5-octyl-2,4-dihydro-3H-1,2,4-triazoline-3-thione, 4-allyl-5-octyl-2,4-dihydro-3H-1,2,4-triazoline-3-thione, 4-phenyl-5-octyl-2,4- dihydro-3H-1,2,4-triazoline-3 ...
Mirjana Jankulovska +2 more
doaj
Utility of FRET in studies of membrane protein oligomerization: The concept of the effective dissociation constant. [PDF]
Biophys J, 2023 McKenzie DM +3 more
europepmc +1 more source
Secondary aerosol formation from atmospheric reactions of aliphatic amines [PDF]
, 2007 Although aliphatic amines have been detected in both urban and rural atmospheric aerosols, little is known about the chemistry leading to particle formation or the potential aerosol yields from reactions of gas-phase amines.
Chhabra, P. +9 more
core +3 more sources
ReDirection: an R-package to compute the probable dissociation constant for every reaction of a user-defined biochemical network. [PDF]
Front Mol Biosci, 2023 Kundu S.
europepmc +1 more source