Monte Carlo method and GA-MLR-based QSAR modeling of NS5A inhibitors against the hepatitis C virus
W Liman, M Oubahmane, I Hdoufane, I Bjij, D Villemin… - Molecules, 2022 - mdpi.com
Hepatitis C virus (HCV) is a serious disease that threatens human health. Despite consistent
efforts to inhibit the virus, it has infected more than 58 million people, with 300,000 deaths …
efforts to inhibit the virus, it has infected more than 58 million people, with 300,000 deaths …
Novel organotin (IV) complexes of 2-[4-hydroxy-3-((2-hydroxyethylimino) methyl) phenylazo] benzoic acid: Synthesis, structure, noncovalent interactions and in vitro …
P Debnath, P Debnath, M Roy, L Sieroń… - Crystals, 2022 - mdpi.com
Three new organotin (IV) complexes,[Me3Sn (H2L)] 2 (1), Bu3Sn (H2L)(2), and [(Bu2Sn
(H2L)) 2O] 2 (3) were synthesized by the reaction of 2-[4-hydroxy-3-((2-hydroxyethylimino) …
(H2L)) 2O] 2 (3) were synthesized by the reaction of 2-[4-hydroxy-3-((2-hydroxyethylimino) …
Electrocatalytic Conversion of CO2 to Formate at Low Overpotential by Electrolyte Engineering in Model Molecular Catalysis
E Vichou, A Solé‐Daura, C Mellot‐Draznieks… - …, 2022 - Wiley Online Library
An electrolyte engineering strategy was developed for CO2 reduction into formate with a
model molecular catalyst,[Rh (bpy)(Cp*) Cl] Cl, by modifying the solvent (organic or …
model molecular catalyst,[Rh (bpy)(Cp*) Cl] Cl, by modifying the solvent (organic or …
Chemical composition, antioxidant potential, and nutritional evaluation of cultivated Sorghum Grains: A combined experimental, theoretical, and multivariate analysis
Sorghum grain (Sorghum bicolor L. Moench) is a gluten-free cereal with excellent nutritional
value and is a good source of antioxidants, including polyphenols, as well as minerals with …
value and is a good source of antioxidants, including polyphenols, as well as minerals with …
[HTML][HTML] Targeting STAT1 by myricetin and delphinidin provides efficient protection of the heart from ischemia/reperfusion-induced injury
TM Scarabelli, S Mariotto, S Abdel-Azeim, K Shoji… - FEBS letters, 2009 - Elsevier
Flavonoids exhibit a variety of beneficial effects in cardiovascular diseases. Although their
therapeutic properties have been attributed mainly to their antioxidant action, they have …
therapeutic properties have been attributed mainly to their antioxidant action, they have …
A COSMO-based approach to computer-aided mixture design
ND Austin, NV Sahinidis, DW Trahan - Chemical Engineering Science, 2017 - Elsevier
In this work, we adapt the COSMO-RS and-SAC methods to solve computer-aided mixture
design (CAMxD) problems. Popular methods in CAMxD require the use of binary interaction …
design (CAMxD) problems. Popular methods in CAMxD require the use of binary interaction …
Electronic, optical and spectroscopic properties of N-dialkyl-imidazolium hexafluorophosphate (CNMIM.PF6) ionic liquid crystal molecules investigated by …
In this present work, we calculate the electronic, spectroscopic and nonlinear optical
properties (NLO) of N-dialkyl-imidazolium hexafluorophosphate (CN MIM. PF6, where N …
properties (NLO) of N-dialkyl-imidazolium hexafluorophosphate (CN MIM. PF6, where N …
[HTML][HTML] Kinetics of and solvent effects on photodegradation of hexachlorobenzene (HCB) and endosulfan (endosulfan I and endosulfan II) in solution
Y Wu, Y Lv, J Jin, Y Fan, R Li, J Bao, J Jiang… - Emerging …, 2024 - Elsevier
Organochlorine pesticides are chlorinated hydrocarbon compounds. The production and
use of organochlorine pesticides have been restricted around the world because they are …
use of organochlorine pesticides have been restricted around the world because they are …
X-ray Structure of a Hg2+ Complex of Mercuric Reductase (MerA) and Quantum Mechanical/Molecular Mechanical Study of Hg2+ Transfer between the C-Terminal …
Mercuric reductase, MerA, is a key enzyme in bacterial mercury resistance. This
homodimeric enzyme captures and reduces toxic Hg2+ to Hg0, which is relatively unreactive …
homodimeric enzyme captures and reduces toxic Hg2+ to Hg0, which is relatively unreactive …
Synthesis, phase behavior and computational simulations of a pyridyl-based liquid crystal system
A homologous set of liquid crystalline materials (Tn) bearing Schiff base/ester linkages were
prepared and investigated via experimental and theoretical techniques. Terminal flexible …
prepared and investigated via experimental and theoretical techniques. Terminal flexible …