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Molecular Basis for the Selectivity of DHA and EPA in Sudlow's Drug Binding Sites in Human Serum Albumin with the Combined Use of NMR and Docking Calculations

Molecules (Basel, Switzerland), 2023-04, Vol.28 (9), p.3724

2023

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NMR and Docking Calculations Reveal Novel Atomistic Selectivity of a Synthetic High-Affinity Free Fatty Acid vs. Free Fatty Acids in Sudlow's Drug Binding Sites in Human Serum Albumin

Molecules (Basel, Switzerland), 2023-12, Vol.28 (24), p.7991

2023

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Valorization of Carob Fruit Residues for the Preparation of Novel Bi-Functional Polyphenolic Coating for Food Packaging Applications

Molecules (Basel, Switzerland), 2019-08, Vol.24 (17), p.3162

2019

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Hydrogen bonding probes of phenol –OH groups

Organic & biomolecular chemistry, 2013, Vol.11 (6), p.1013

2013

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Understanding Zinc(II) Chelation with Quercetin and Luteolin: A Combined NMR and Theoretical Study

The journal of physical chemistry. B, 2015-01, Vol.119 (1), p.83-95

2015

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The triphenyltin(VI) complexes of NSAIDs and derivatives. Synthesis, crystal structure and antiproliferative activity. Potent anticancer agents

Journal of inorganic biochemistry, 2011-02, Vol.105 (2), p.195-201

2011

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Probing the interaction of a quercetin bioconjugate with Bcl‐2 in living human cancer cells with in‐cell NMR spectroscopy

FEBS letters, 2018-10, Vol.592 (20), p.3367-3379

2018

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Molecular models of three ω-3 fatty acids based on NMR and DFT calculations of 1H NMR chemical shifts

Journal of molecular liquids, 2021-11, Vol.342, p.117460, Article 117460

2021

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Serum albumin as a primary non-covalent binding protein for nitro-oleic acid

International journal of biological macromolecules, 2022-04, Vol.203, p.116-129

2022

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Erratum to Simultaneous determination of artemisinin and its analogues and flavonoids in Artemisia annua crude extracts with the use of NMR spectroscopy

Magnetic resonance in chemistry, 2020-07, Vol.58 (7), p.685-685

2020

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Unprecedented ultra-high-resolution hydroxy group (1)H NMR spectroscopic analysis of plant extracts

Journal of natural products (Washington, D.C.), 2011-11, Vol.74 (11), p.2462-2466

2011

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Protective Effects of the Complement Inhibitor Compstatin CP40 in Hemorrhagic Shock

Shock (Augusta, Ga.), 2019-01, Vol.51 (1), p.78-87

2019

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Anti-oxidant, in vitro, in vivo anti-inflammatory activity and antiproliferative activity of mefenamic acid and its metal complexes with manganese(II), cobalt(II), nickel(II), copper(II) and zinc(II)

Journal of enzyme inhibition and medicinal chemistry, 2009-06, Vol.24 (3), p.742-752

2009

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Hydrogen bonding probes of phenol -OH groups

Organic & biomolecular chemistry, 2013-02, Vol.11 (6), p.1013-1025

2013

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Direct Binding of Bcl‑2 Family Proteins by Quercetin Triggers Its Pro-Apoptotic Activity

ACS chemical biology, 2014-12, Vol.9 (12), p.2737-2741

2014

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Unexpected enzyme-catalyzed regioselective acylation of flavonoid aglycones and rapid product screening

Organic & biomolecular chemistry, 2012-03, Vol.10 (9), p.1739-1742

2012

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Organotin meclofenamic complexes: Synthesis, crystal structures and antiproliferative activity of the first complexes of meclofenamic acid – Novel anti-tuberculosis agents

Journal of inorganic biochemistry, 2009-05, Vol.103 (5), p.738-744

2009

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Zinc(II) complexes of 2-acetyl pyridine 1-(4-fluorophenyl)-piperazinyl thiosemicarbazone: Synthesis, spectroscopic study and crystal structures – Potential anticancer drugs

Journal of inorganic biochemistry, 2010-04, Vol.104 (4), p.467-476

2010

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Method development and validation for the quantitation of the complement inhibitor Cp40 in human and cynomolgus monkey plasma by UPLC-ESI-MS

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 2017-01, Vol.1041-1042, p.19-26

2017

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DFT Calculations of 1 H- and 13 C-NMR Chemical Shifts of Geometric Isomers of Conjugated Linoleic Acid (18:2 ω-7) and Model Compounds in Solution

Molecules (Basel, Switzerland), 2020-08, Vol.25 (16)

2020

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PROTECTIVE EFFECTS OF THE COMPLEMENT INHIBITOR COMPSTATIN CP40 IN HEMORRHAGIC SHOCK

Shock (Augusta, Ga.), 2018, Vol.49 (6, Suppl. 1), p.117

2018

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Fine-tuning of the diffusion dimension of –OH groups for high resolution DOSY NMR applications in crude enzymatic transformations and mixtures of organic compounds

Tetrahedron, 2012-08, Vol.68 (34), p.6887-6891

2012

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Unexpected enzyme-catalyzed regioselective acylation of flavonoid aglycones and rapid product screeningElectronic supplementary information (ESI) available: Experimental details as also HPLC, MS and NMR data. See DOI: 10.1039/c2ob06784f

2012-02

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Hydrogen bonding probes of phenol -OH groupsElectronic supplementary information (ESI) available: Fig. S1. 2D 1H-13C HMBC NMR spectrum of quercetin with the presence of picric acid, Fig. S2 1H NMR spectrum of compound, 10, Fig. S3 2D 1H-13C HMBC NMR spectrum of compound, 10, Fig. S4 1H NMR spectrum of compound, 26, Fig. S5 2D 1H-13C HMBC NMR spectrum of compound, 26, Fig. S6. X-ray structure of xanthine oxidase in complex with quercetin, Table S1 NMR spectroscopic data of compound, 10, Table S2

2013-01

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Unprecedented Ultra-High-Resolution Hydroxy Group 1 H NMR Spectroscopic Analysis of Plant Extracts

Journal of natural products (Washington, D.C.), 2011-11, Vol.74 (11), p.2462-2466

2011

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Molecular Basis for the Selectivity of DHA and EPA in Sudlow's Drug Binding Sites in Human Serum Albumin with the Combined Use of NMR and Docking Calculations

NMR and Docking Calculations Reveal Novel Atomistic Selectivity of a Synthetic High-Affinity Free Fatty Acid vs. Free Fatty Acids in Sudlow's Drug Binding Sites in Human Serum Albumin

Valorization of Carob Fruit Residues for the Preparation of Novel Bi-Functional Polyphenolic Coating for Food Packaging Applications

Hydrogen bonding probes of phenol –OH groups

Understanding Zinc(II) Chelation with Quercetin and Luteolin: A Combined NMR and Theoretical Study

The triphenyltin(VI) complexes of NSAIDs and derivatives. Synthesis, crystal structure and antiproliferative activity. Potent anticancer agents

Probing the interaction of a quercetin bioconjugate with Bcl‐2 in living human cancer cells with in‐cell NMR spectroscopy

Molecular models of three ω-3 fatty acids based on NMR and DFT calculations of 1H NMR chemical shifts

Serum albumin as a primary non-covalent binding protein for nitro-oleic acid

Erratum to Simultaneous determination of artemisinin and its analogues and flavonoids in Artemisia annua crude extracts with the use of NMR spectroscopy

Unprecedented ultra-high-resolution hydroxy group (1)H NMR spectroscopic analysis of plant extracts

Protective Effects of the Complement Inhibitor Compstatin CP40 in Hemorrhagic Shock

Anti-oxidant, in vitro, in vivo anti-inflammatory activity and antiproliferative activity of mefenamic acid and its metal complexes with manganese(II), cobalt(II), nickel(II), copper(II) and zinc(II)

Hydrogen bonding probes of phenol -OH groups

Direct Binding of Bcl‑2 Family Proteins by Quercetin Triggers Its Pro-Apoptotic Activity

Unexpected enzyme-catalyzed regioselective acylation of flavonoid aglycones and rapid product screening

Organotin meclofenamic complexes: Synthesis, crystal structures and antiproliferative activity of the first complexes of meclofenamic acid – Novel anti-tuberculosis agents

Zinc(II) complexes of 2-acetyl pyridine 1-(4-fluorophenyl)-piperazinyl thiosemicarbazone: Synthesis, spectroscopic study and crystal structures – Potential anticancer drugs

Method development and validation for the quantitation of the complement inhibitor Cp40 in human and cynomolgus monkey plasma by UPLC-ESI-MS

DFT Calculations of 1 H- and 13 C-NMR Chemical Shifts of Geometric Isomers of Conjugated Linoleic Acid (18:2 ω-7) and Model Compounds in Solution

PROTECTIVE EFFECTS OF THE COMPLEMENT INHIBITOR COMPSTATIN CP40 IN HEMORRHAGIC SHOCK

Fine-tuning of the diffusion dimension of –OH groups for high resolution DOSY NMR applications in crude enzymatic transformations and mixtures of organic compounds

Unexpected enzyme-catalyzed regioselective acylation of flavonoid aglycones and rapid product screeningElectronic supplementary information (ESI) available: Experimental details as also HPLC, MS and NMR data. See DOI: 10.1039/c2ob06784f

Unprecedented Ultra-High-Resolution Hydroxy Group 1 H NMR Spectroscopic Analysis of Plant Extracts

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