Results 11 to 20 of about 39,711 (263)

Solvent effect on protonation of tpps in water-DMF mixtures

Bulletin of the Chemical Society of Ethiopia, 2017
The protonation of 5,10,15,20-tetrakis(4-sulfonatophenyl)porphyrin was investigated in aqueous solutions of N,N-dimethyformamide at 25 °C and 0.1 mol.dm-3 sodium perchlorate.
A. Farajtabar, M. Faeli
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Dataset showing the impact of the protonation states on molecular dynamics of HIV protease

Data in Brief, 2016
The data described here supports the research article “Unraveling HIV Protease Flaps Dynamics by Constant pH Molecular Dynamics Simulations” (Soares et al., 2016) [1].
Rosemberg O. Soares, Pedro H.M. Torres, Manuela L. da Silva, Pedro G. Pascutti   +3 more
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The Determination of Protonation Constants of Peptidomimetic Cyclophanes in Binary Methanol-Water Mixtures

Journal of Analytical Methods in Chemistry, 2016
The protonation constants of new group of peptidomimetic cyclophanes with valine or phenylalanine moieties incorporated into the macrocyclic skeleton as well as their linear analogues were determined by potentiometric measurements in solutions of ...
Piotr Seliger, Danuta Tomczyk, Grzegorz Andrijewski, Ewa Tomal   +3 more
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Micro-Analytical Study of a Zeolites/Geo-Polymers/Quartz Composite, Dielectric Behaviour and Contribution to Brønsted Sites Affinity

Ceramics, 2022
The chemical and mineralogical surface properties of a brick-derived composite were examined by using an environmental scanning electron microscopy (ESEM) equipped with an energy dispersive X-ray spectrometer (EDS).
Abdel Boughriet, Oscar Allahdin, Nicole Poumaye, Gregory Tricot, Bertrand Revel, Ludovic Lesven, Michel Wartel   +6 more
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A Density Functional Theory-Based Scheme to Compute the Redox Potential of a Transition Metal Complex: Applications to Heme Compound

Molecules, 2019
We estimated the redox potential of a model heme compound by using the combination of our density functionals with a computational scheme, which corrects the solvation energy to the normal solvent model.
Toru Matsui, Jong-Won Song
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Conformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation Equilibria. [PDF]

PLoS Computational Biology, 2015
BACE-1 is the β-secretase responsible for the initial amyloidogenesis in Alzheimer's disease, catalyzing hydrolytic cleavage of substrate in a pH-sensitive manner.
M Olivia Kim, Patrick G Blachly, J Andrew McCammon   +2 more
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pH-dependent structural diversity of profilin allergens determines thermal stability

Frontiers in Allergy, 2022
The family of profilin allergens is a common class of proteins found in plants, viruses and various eukaryotes including mammals. Profilins are characterized by an evolutionary conserved structural fold, which is responsible for their cross-reactive ...
Florian Hofer, Anna-Lena Fischer, Anna S. Kamenik, Franz Waibl, Monica L. Fernández-Quintero, Klaus R. Liedl   +5 more
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Investigation of the Specific Ion Interactions and Determining Protonation Constant of 3,5-Dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl] oxan-4-yl] 3,4,5-trihydroxybenzoate at Different Ionic Strength [PDF]

Iranian Journal of Chemistry & Chemical Engineering, 2019
In this research, the protonation constant value of tannic acid was determined at 25 °C and different ionic strengths (0.1 to 0.7 mol/dm3 NaCl) using potentiometric titration technique. The dependence of protonation constant on ionic strength was modeled
Gholamreza Ebrahimzadeh Rajaei, Arash Vojood   +1 more
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Effect of Solvent on Protonation Equilibria of L-Proline and L-Valine in 1, 2-Propanediol-Water Mixtures

E-Journal of Chemistry, 2012
Protonation equilibria of L-proline and L-valine in varying compositions (0.0-60.0% v/v) of 1, 2-Propanediol-water mixtures were investigated pH-metrically.
P. Bhushanavathi, B. Veeraswamy, G. Nageswara Rao, U. Viplavaprasad   +3 more
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THE EFFECT OF SOLVENT AND TEMPERATURE ON PROTONATION CONSTANTS OF DL-PHENYLALANINE IN DIFFERENT AQUEOUS SOLUTIONS OF METHANOL AT DIFFERENT TEMPERATURES

Studia Universitatis Babes-Bolyai Chemia, 2022
This research work has two sections. In first section, the equilibrium constant for protonation processes of DL-phenylalanine (K1, and K2) were determined in binary mixed solvents of water–methanol, containing 0, 10, 20, 30, 40, 50, 60, 70, and 80 % (v ...
Niloofar Soltani AHMADI, Farhoush KIANI, Seyed-Ahmad SHAHIDI, Azade GHORBANI-HASANSARAEI, Fatemeh ZABIHI, Fardad KOOHYAR   +5 more
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