Daniel Glossman‐Mitnik

Research interests

Publications

• Evaluation of Annona muricata Acetogenins as Potential Anti-SARS-CoV-2 Agents Through Computational Approaches

  Frontiers in Chemistry · 2021 · 10.3389/fchem.2020.624716

• In Silico Pharmacokinetics, ADMET Study and Conceptual DFT Analysis of Two Plant Cyclopeptides Isolated From Rosaceae as a Computational Peptidology Approach

  Frontiers in Chemistry · 2021 · 10.3389/fchem.2021.708364

• Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT‐Based Estimation of the Chemical Reactivity Properties of Marine Cyclopeptides

  ChemistryOpen · 2021 · 10.1002/open.202100178

• Theoretical Study of the Effect of π-Bridge on Optical and Electronic Properties of Carbazole-Based Sensitizers for DSSCs

  Molecules · 2020 · 10.3390/molecules25163670

• Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated Derivative

  Frontiers in Chemistry · 2018 · 10.3389/fchem.2018.00136

• Conceptual DFT study of the local chemical reactivity of the dilysyldipyrrolones A and B intermediate melanoidins

  Theoretical Chemistry Accounts · 2018 · 10.1007/s00214-018-2244-x

• Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of Conceptual DFT

  Marine Drugs · 2018 · 10.3390/md16090302

• Study of chemical reactivity in relation to experimental parameters of efficiency in coumarin derivatives for dye sensitized solar cells using DFT

  Physical Chemistry Chemical Physics · 2015 · 10.1039/c5cp01387a

• Computational Study of the Chemical Reactivity Properties of the Rhodamine B Molecule

  Procedia Computer Science · 2013 · 10.1016/j.procs.2013.05.246

• Natural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT Study

  Molecules · 2010 · 10.3390/molecules15074490

• Fuel Gas Storage and Separations by Metal−Organic Frameworks: Simulated Adsorption Isotherms for H2 and CH4 and Their Equimolar Mixture

  The Journal of Physical Chemistry C · 2009 · 10.1021/jp809539w

• DFT studies of functionalized carbon nanotubes and fullerenes as nanovectors for drug delivery of antitubercular compounds

  Chemical Physics Letters · 2007 · 10.1016/j.cplett.2007.08.098

• CHIH-DFT determination of the molecular structure infrared spectra, UV spectra and chemical reactivity of three antitubercular compounds: Rifampicin, Isoniazid and Pyrazinamide

  Journal of Molecular Modeling · 2007 · 10.1007/s00894-007-0170-2

• Band structure, optical properties and infrared spectrum of glycine–sodium nitrate crystal

  Journal of Molecular Structure · 2007 · 10.1016/j.molstruc.2007.04.039

• Theoretical study of the molecular properties and chemical reactivity of (+)-catechin and (−)-epicatechin related to their antioxidant ability

  Journal of Molecular Structure THEOCHEM · 2006 · 10.1016/j.theochem.2006.01.001

• Computational simulations of the molecular structure and corrosion properties of amidoethyl, aminoethyl and hydroxyethyl imidazolines inhibitors

  Corrosion Science · 2006 · 10.1016/j.corsci.2006.05.036

• Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties

  Journal of Molecular Structure THEOCHEM · 2004 · 10.1016/j.theochem.2004.10.036

• CHIH-DFT theoretical study of isomeric thiatriazoles and their potential activity as corrosion inhibitors

  Journal of Molecular Structure THEOCHEM · 2004 · 10.1016/j.theochem.2004.10.082

• CHIH-DFT study of the electronic properties and chemical reactivity of quercetin

  Journal of Molecular Structure THEOCHEM · 2004 · 10.1016/j.theochem.2004.10.083

• CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of the flavonoid quercetin

  Journal of Molecular Structure THEOCHEM · 2004 · 10.1016/j.theochem.2004.04.054

Current projects

No projects listed.