Results 1 to 10 of about 39,612 (164)

Charge Neutralization During Peptide Transport in the Bacterial SecYEG Translocon [PDF]

Biomolecules
The driving force behind protein translocation across the cell membrane is not yet fully understood. In bacteria, there is an electrochemical potential across the cell membrane, which can interact with charged residues in the translocation substrate.
Laura Nübl, Ekaterina Sobakinskaya, Frank Müh   +2 more
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Predicting residue ionization of OmpF channel using Constant pH Molecular Dynamics as benchmark. [PDF]

PLoS Computational Biology
Electrostatic interactions are crucial for protein structure and function, especially in mesoscopic protein channels where ion selectivity is largely governed by the protein's electrostatic properties.
Ernesto Tavares-Neto, Marcel Aguilella-Arzo, Vicente M Aguilella   +2 more
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The protolytic properties of the sialorphin derivative Pal-Lys-Lys-Gln-His-Asn-Pro-Arg in an aqueous solution [PDF]

Acta Poloniae Pharmaceutica, 2023
The present work describes the protolytic properties of the sialorphin derivative (Pal-Lys- Lys-Gln-His-Asn-Pro-Arg) in an aqueous solution, at constant temperature 25.0 ± 0.1 °C and ionic strength 0.1 M (NaClO4), over the entire pH range.
Marek Pająk, Elżbieta Kamysz, Jakub Fichna, Magdalena Woźniczka   +3 more
doaj   +1 more source

Changes in Protonation States of In-Pathway Residues can Alter Ligand Binding Pathways Obtained From Spontaneous Binding Molecular Dynamics Simulations

Frontiers in Molecular Biosciences, 2022
Protein-ligand binding processes often involve changes in protonation states that can be key to recognize and orient the ligand in the binding site. The pathways through which (bio)molecules interplay to attain productively bound complexes are intricate ...
Helena Girame, Marc Garcia-Borràs, Ferran Feixas   +2 more
doaj   +1 more source

Complex-Forming Properties of the Anti-Inflammatory Sialorphin Derivative Palmitic Acid-Lysine-Lysine-Glutamine-Histidine-Asparagine-Proline-Arginine with Cu(II) Ions in an Aqueous Solution

Molecules, 2023
The present work describes the complexation of the anti-inflammatory sialorphin derivative Pal-Lys-Lys-Gln-His-Asn-Pro-Arg (palmitic acid-lysine-lysine-glutamine-histidine-asparagine-proline-arginine) with Cu(II) ions in an aqueous solution, at a ...
Marek Pająk, Elżbieta Kamysz, Karol Sikora, Jakub Fichna, Magdalena Woźniczka   +4 more
doaj   +1 more source

Protonation constants of hydroxybenzenes in hydrochloric acid [PDF]

Journal of the Serbian Chemical Society, 1999
The absorption spectra of monohydroxybenzene (Fen), 1,3-dihydroxybenzene (Rez), 1,4-dihydroxybenzene (Hi), 1,2,3-trihydroxybenzene (Pg) and 1,3,5-trihydroxybenzene (Fg) in aqueous solutions of hydrochloric acid with different values of the Hammett ...
S. B. TOSIC, M. V. OBRADOVIC, D. S. VESELINOVIC   +2 more
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Recent Developments of Computational Methods for pK_a Prediction Based on Electronic Structure Theory with Solvation Models

J, 2021
The protonation/deprotonation reaction is one of the most fundamental processes in solutions and biological systems. Compounds with dissociative functional groups change their charge states by protonation/deprotonation. This change not only significantly
Ryo Fujiki, Toru Matsui, Yasuteru Shigeta, Haruyuki Nakano, Norio Yoshida   +4 more
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Deprotonation of salicylic acid and 5-nitrosalicylic acid in aqueous solutions of ethanol [PDF]

Journal of the Serbian Chemical Society, 2011
The protonation constant values of two hydroxybenzoic acids (salicylic and 5-nitrosalicylic acid) were studied in some water-ethanol solutions using spectrophotometric and potentiometric methods at 25°C and in an ionic strength of 0.1 M sodium ...
Faraji Mohammad, Farajtabar Ali, Gharib Farrokh, Ghasemnejad-Borsa Hassan   +3 more
doaj   +1 more source

Superlubricity of pH-responsive hydrogels in extreme environments

Frontiers in Chemistry, 2022
Poly(acrylamide-co-acrylic acid) (P(AAm-co-AA)) hydrogels are highly tunable and pH-responsive materials frequently used in biomedical applications. The swelling behavior and mechanical properties of these gels have been extensively characterized and are
Allison L. Chau, Patrick T. Getty, Andrew R. Rhode, Christopher M. Bates, Christopher M. Bates, Craig J. Hawker, Craig J. Hawker, Angela A. Pitenis   +7 more
doaj   +1 more source

Potentiometric Studies on the Protonation Constants and Protonation Energies of Some Diamines in Methanol + Water Mixtures

E-Journal of Chemistry, 2007
The protonation constants of diamines such as ethylenediamine, 1,2-diaminopropane, 1,3-diaminopropane, o-phenylenediamine, m-phenylene-diamine, p-phenylenediamine were determined on the basis of Bjerrum and Calvin method in methanol-water mixtures.
Sangita Sharma, Mayur C. Shah, Neha Patel, Dipika Dalwadi, J. J. Vora   +4 more
doaj   +1 more source