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The Mode of Action of Recombinant Mycobacterium tuberculosis Shikimate Kinase: Kinetics and Thermodynamics Analyses
(2013-05-06)
Tuberculosis remains as one of the main cause of mortality worldwide due to a single infectious agent, Mycobacterium tuberculosis. The aroK-encoded M. tuberculosis Shikimate Kinase (MtSK), shown to be essential for survival ...
The Mode of Action of Recombinant Mycobacterium tuberculosis Shikimate Kinase: Kinetics and Thermodynamics Analyses
(2013-05-06)
Tuberculosis remains as one of the main cause of mortality worldwide due to a single infectious agent, Mycobacterium tuberculosis. The aroK-encoded M. tuberculosis Shikimate Kinase (MtSK), shown to be essential for survival ...
Molecular adsorption model for organic compounds over TiO2 – P25 by protonic distribution affinity.
(2014-04-28)
A predictive molecular adsorption model for organic compounds over TiO2-P25 particles was formulated. The model is an extension of a theoretical method of surface characterization called Protonic Distribution Affinity ...
Predicting deprotonation sites using alchemical derivatives
(American Chemical Society, 2020)
An alchemical transformation is any process, physical or fictitious, that connects two points in the chemical space. A particularly important transformation is the vanishing of a proton, whose energy can be linked to the ...
Protonation Sites, Tandem Mass Spectrometry and Computational Calculations of o-Carbonyl Carbazolequinone Derivatives
(MDPI AG, 2016)
A series of a new type of tetracyclic carbazolequinones incorporating a carbonyl group at the ortho position relative to the quinone moiety was synthesized and analyzed by tandem electrospray ionization mass spectrometry ...
The protonation state of an evolutionarily conserved histidine modulates domainswapping stability of FoxP1
(Nature Publishing Group, 2019)
Forkhead box P (FoxP) proteins are members of the versatile Fox transcription factors, which control the timing and expression of multiple genes for eukaryotic cell homeostasis. Compared to other Fox proteins, they can ...
Electrostatic and non-electrostatic contributions to hydrogen bonding and proton transfer in solution phase
(American Chemical Society, 1996)
A combined methodology of semiempirical density functional (DFT) and Hartree-Fock (HF) theories is used to analyze the solution-phase proton-transfer (PT) process in the H2O⋯HX (X = F, Cl, and OH) model systems. Gas-phase ...
Basicity and solvent effects on hydrogen bonding in NR3 ⋯ HCOOH (R = H, CH3) model systems
(John Wiley and Sons Inc., 1999)
The effect of the basicity of methyl-amines on hydrogen bonding (HB) with HCOOH is examined in both gas and solution phases. In the gas phase, the strength of HB may be related to the proton affinity (PA) difference between ...