DUSSO, DIEGO; LANZA, PRISCILA A.; PARISE, ALEJANDRO R.; HAVLÍK, MARTIN; TATAR, AMENEH; CHESTA, CARLOS A.; MOYANO, E. LAURA; DOLENSKÝ, BOHUMIL; VERA, D. MARIANO A.

Mechanism of Synthesis of Tröger and Spiro‐Tröger Base Derivatives Starting from Naphthyl‐ and Anthracenylamines: A Computational Study

ChemistrySelect; Lugar: London; Año: 2023 vol. 8 p. 202300275 - 202300275

MARTIN HAVLÍK; TEREZA NAVRÁTILOVÁ; MICHAELA DROZDOVÁ; AMENEH TATAR; P. A. LANZA CASTRONUOVO; DIEGO DUSSO; E. LAURA MOYANO; CARLOS A. CHESTA; D. MARIANO A. VERA *; BOHUMIL DOLENSKÝ

Experimental, Spectroscopic, and Computational Insights into the Reactivity of “Methanal” with 2-Naphthylamines

MOLECULES; Lugar: Basel; Año: 2023 vol. 28 p. 1549 - 1549

LANZA, PRISCILA A.; DIEGO DUSSO; MENA, LEANDRO; ALEJANDRO R. PARISE; E. LAURA MOYANO; CARLOS A. CHESTA; D. MARIANO A. VERA *

Why and how could an aliphatic bridge allow for a long- range photoinduced charge separation in Tröger’s bases derivatives

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY; Lugar: Amsterdam; Año: 2023 vol. 441 p. 114699 - 114699

JERONIMO LAIOLO; DAFNI G. GRAIKIOTI; CECILIA L. BARBIERI; MARIANA B. JORAY; ANTONIA I. ANTONIOU; D. MARIANO A. VERA *; CONSTANTINOS M. ATHANASSOPOULOS; MARÍA-CECILIA CARPINELLA *

Novel betulin derivatives as multidrug reversal agents targeting P‑glycoprotein

Scientific Reports; Lugar: London; Año: 2023 p. 1 - 25

MARÍA C. LLORESN DE LOS RÍOS; PRISCILA A. LANZA; CECILIA L. BARBIERI; MARÍA L. GONZÁLEZ; MACARENA FUNES CHABÁN; GASTÓN SORIA; D. MARIANO A. VERA *; MARÍA CECILIA CARPINELLA *; MARÍA B. JORAY *

The thiophene α-terthienylmethanol isolated from Tagetes minuta inhibits 2 angiogenesis by targeting protein kinase C isozymes α and β2.

Frontiers in Pharmacology; Lugar: Lausanne; Año: 2022 vol. 13 p. 1007790 - 1007790

JERONIMO LAIOLO; PRISCILA A. LANZA; OSCAR PARRAVICINI; CECILIA BARBIERI; DANIEL INSUASTY; JUSTO COBO; D. MARIANO A. VERA *; RICARDO D. ENRIZ *; MARÍA C. CARPINELLA *

Structure-activity relationships and the binding mode of quinolinone-pyrimidine hybrids as reversal agents of multidrug resistance mediated by P-gp

Scientific Reports; Lugar: Basingstoke; Año: 2021 vol. 11 p. 16856 - 16856

JERONIMO LAIOLO; CECILIA BARBIERI; MARIANA B. JORAY; PRISCILA A. LANZA; SARA M. PALACIOS; D. M. A. VERA*; MARÍA C. CARPINELLA*

Plant extracts and betulin from Ligaria cuneifolia inhibit P-glycoprotein function in leukemia cells

FOOD AND CHEMICAL TOXICOLOGY; Lugar: Amsterdam; Año: 2020 vol. 147 p. 111922 - 111922

MENA, LEANDRO D.; VERA, D. M. A.; BAUMGARTNER, MARÍA T.

Impact of benzannulation on ESIPT in 2-(2′-hydroxyphenyl)-oxazoles: a unified perspective in terms of excited-state aromaticity and intramolecular charge transfer

RSC Advances; Lugar: London; Año: 2020 vol. 10 p. 39049 - 39059

DUSSO, DIEGO; LANZA, PRISCILA A.; MONTEJANO, HERNÁN A.; RAMÍREZ, CRISTINA L.; PARISE, ALEJANDRO R.; VERA, D.MARIANO A.*; LAURA MOYANO, E.; CHESTA, CARLOS A.*

Long-range photoinduced charge separation in tröger bases D/A dyads

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY; Año: 2020 vol. 389 p. 383 - 391

DUSSO, DIEGO; RAMIREZ, CRISTINA; PARISE, ALEJANDRO; LANZA, P.; VERA, D. MARIANO; CHESTA, CARLOS; MOYANO, E. LAURA; AKHMEDOV, NOVRUZ G.

Synthesis of new cyano-substituted analogues of Tröger's bases from bromo-derivatives. A stereochemical dependence of long-range ( n J HH , n = 4, 5, and 6) proton-proton and proton-carbon ( n J CH , n = 1, 2, 3, 4, and 5) coupling constants of these compounds

MAGNETIC RESONANCE IN CHEMISTRY; Lugar: LOndres; Año: 2019 p. 1 - 63

MENA, LEANDRO; VERA, MARIANO DOMINGO ADOLFO; BAUMGARTNER, MARIA TERESA; JIMENEZ, LILIANA

Adiabatic Deprotonation as an Important Competing Pathway to ESIPT in Photoacidic 2-Phenylphenols.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: London; Año: 2019 p. 1 - 10

PRISCILA A. LANZA; DIEGO DUSSO; CRISTINA L. RAMIREZ; ALEJANDRO R. PARISE; CARLOS A. CHESTA; E. LAURA MOYANO; D. M. A.VERA*

Uncovering the mechanism leading to the synthesis of symmetric and asymmetric Tröger's bases

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY; Lugar: Weinheim; Año: 2019

GISELE E. MIANA; SERGIO RIBONE; D. MARIANO A. VERA; MANUEL SÁNCHEZ MORENO; MARÍA ROSA MAZZIERI; MARIO A. QUEVEDO

Design, synthesis and molecular docking studies of novel N-arylsulfonyl-benzimidazoles with anti Trypanosoma cruzi activity

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Paris; Año: 2019 vol. 165 p. 1 - 10

MARÍA INÉS CRESPO; MACARENA FUNES CHABÁN; PRISCILA A. LANZA; MARIANA BELÉN JORAY; SARA M. PALACIOS; D. MARIANO A. VERA *; MARÍA CECILIA CARPINELLA *

Inhibitory effects of compounds isolated from Lepechinia meyenii on tyrosinase

FOOD AND CHEMICAL TOXICOLOGY; Lugar: Amsterdam; Año: 2019 p. 1 - 37

F. KOMROVSKY; N. R. SPERANDEO; D. M. A. VERA; M. R. CAIRA; M. R. MAZZIERI

X-ray, DFT, FTIR and thermal study of the antimicrobial N-benzenesulfonyl-1H-1,2,3-benzotriazole

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2018 vol. 1164 p. 200 - 208

J. P. COLOMER; M. L. SCIU; C. L. RAMIREZ; S. M. SORIA CASTRO; D. M. A. VERA*; E. L. MOYANO

Thermal ring opening of pyrazolo[3,4-d][1,2,3]triazin-4-ones: an experimental and theoretical study

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY; Lugar: Weinheim; Año: 2018 vol. 2018 p. 1514 - 1524

N. STOCCHI; M. V. REVUELTA; P. A. LANZA CASTRONUOVO; D. M. A. VERA; A. TEN HAVE

Molecular Dynamics and Structure Function Analysis show that Substrate Binding and Specificity are major Forces in the functional Diversification of Eqolisins

BMC BIOINFORMATICS; Lugar: Londres; Año: 2018 vol. 19 p. 1 - 16

JERÓNIMO LAIOLO; TIHOMIR TOMAIč; D. MARIANO A. VERA; MARÍA LAURA GONZÁLEZ; PRISCILA A. LANZA; SAMANTA GANCEDO; IGA HODNIK; LUCIJA PETERLIN MAIč; DANIJEL KIKELJ; MARÍA C. CARPINELLA

Analogs of the lignan pinoresinol as novel P-glycoprotein (P-gp) inhibitors

ACS Medicinal Chemistry Letters; Año: 2018 p. 1 - 11

MARIA-LAURA GONZÁLEZ; D. MARIANO A. VERA*; JERONIMO LAIOLO; MARIANA B. JORAY; MARIANA MACCIONI; SARA M. PALACIOS; GABRIELA MOLINA; PRISCILA A. LANZA; SAMANTA GANCEDO; VIVIAN RUMJANEK*; MARÍA-CECILIA CARPINELLA*

Mechanism underlying the reversal of drug resistance in P-glycoprotein-expressing leukemia cells by pinoresinol and the study of a derivative

Frontiers in Pharmacology; Lugar: Lausanne; Año: 2017 vol. 0 p. 1 - 44

IVANA MALVACIO; ALBERTO CUZZOLIN; MATTIA STURLESE; E. LAURA MOYANO; D. MARIANO A. VERA; STEFANO MORO

Synthesis and preliminary structure-activity relationship study of 2-aryl-2H-pyrazolo[4,3-c]quinolin-3-ones as potential checkpoint kinase 1 (Chk1) inhibitors

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY; Lugar: Londres; Año: 2017 vol. 33 p. 171 - 183

BORIONI, JOSÉ L.; M. PUIATTI; D. M. A. VERA; ADRIANA B. PIERINI

In search of the best DFT functional for dealing wi th organic anionic species .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2017 vol. 19 p. 9189 - 9198

IVANA MALVACIO; E. LAURA MOYANO; D. M. A. VERA*

Gas-phase synthesis of 3-carboethoxy-quinolin-4-ones. A comprehensive computational mechanistic study to uncover the dark side of the Gould-Jacobs reaction

RSC Advances; Lugar: London; Año: 2016 vol. 6 p. 83973 - 83981

G. E. JARA; C. SOLÍS; J. J. TORRES; C. GLUSKO; C. PREVITALI; A. B. PIERINI; D. M. A. VERA*; C. A. CHESTA *; H. A. MONTEJANO*

An experimental and TD-DFT theoretical study on the photophysical properties of Methylene Violet Bernthsen

DYES AND PIGMENTS; Lugar: Amsterdam; Año: 2015 vol. 112 p. 341 - 351

MARÍA EUGENIA CHIARI; LEONARDO TOSONI; MARIANA BELÉN JORAY; GEORGINA NATALIA DIAZ NAPAL; SARA MARÍA PALACIOS; GUSTAVO MIGUEL RUIZ; DOMINGO MARIANO A. VERA *; MARÍA CECILIA CARPINELLA *

The Inhibitory Activity of Plants from Central Argentina on p-Hydroxyphenylpyruvate Dioxygenasee. Isolation and Mechanism of Inhibition of a Flavanone from Flourensia oolepis

PLANTA MEDICA; Lugar: Berlin; Año: 2015 vol. 81 p. 1380 - 1391

IVANA MALVACIO; D. MARIANO A. VERA; E. LAURA MOYANO

Microwave Assisted Synthesis of ethyl-quinolon-4-one-3-carboxylates and Hydrolysis to quinolon-4-one-3-carboxylic Acids

Current Microwave Chemistry; Lugar: Oak Park, Il; Año: 2014 vol. 1 p. 52 - 58

CHRISTINA KOURTESI; ANTHONY R. BALL; YING-YING HUAN; SANJAY M. JACHAK; D. MARIANO A. VERA; PROMA KHONDKAR; SIMON GIBBONS; MICHAEL R. HAMBLIN; GEORGE P. TEGOS

Microbial Efflux Systems and Inhibitors: Approaches to Drug Discovery and the Challenge of Clin eical Implementation

The Open Microbiology Journal; Lugar: Bussum; Año: 2013 vol. 7 p. 34 - 52

GABRIEL E. JARA; D. MARIANO A. VERA*; ADRIANA B. PIERINI

Binding of Modulators to the Mouse and Human Multidrug Resistance (MDR) P-glycoprotein. A Computational Study

JOURNAL OF MOLECULAR GRAPHICS & MODELLING.; Lugar: San Francisco; Año: 2013 vol. 46 p. 10 - 21

C. L. RAMIREZ; R. PROCACCINI; C. A. CHESTA; A. R. PARISE; D. M. A. VERA *

Selective charge transfer in donor/acceptor systems bridged by Troger base derivatives

ORGANIC ELECTRONICS; Lugar: Amsterdam; Año: 2013 vol. 14 p. 2564 - 2572

DOMINGO MARIANO ADOLFO VERA; MARK H. HAYNES; ANTHONY R. BALL; TIANHONG DAI; CHRISTOS ASTRAKAS; MICHAEL J. KELSO; MICHAEL R. HAMBLIN; GEORGE P. TEGOS

Strategies to potentiate antimicrobial photoinactivation by overcoming resistant phenotypes

PHOTOCHEMISTRY AND PHOTOBIOLOGY; Lugar: New York; Año: 2012 vol. 88 p. 499 - 511

J. TORRES; N. GSPONER; C. L. RAMIREZ; D. M. A. VERA; H. A. MONTEJANO; C. A. CHESTA

Experimental and theoretical studies on the enantioselectivity of molecularly imprinted polymers prepared with a chiral functional monomer

JOURNAL OF CHROMATOGRAPHY - A; Lugar: Amsterdam; Año: 2012 vol. 1266 p. 24 - 33

C. A. GLUSKO; C. M. PREVITALI; D.M.A. VERA; C.A. CHESTA; H. A. MONTEJANO

An experimental and theoretical study on the photophysical properties of Methylene Green

DYES AND PIGMENTS; Año: 2011 vol. 90 p. 28 - 35

M. E. CHIARI; D. M. A. VERA; S. M. PALACIOS; M. C. CARPINELLA

Tyrosinase inhibitory activity of a 6-isoprenoid-substituted flavanone isolated from Dalea elegans

Bioorganic & Medicinal Chemistry; Año: 2011 vol. 19 p. 3474 - 3482

C. F. A. NEGRE; G. E. JARA; D. M. A. VERA; A. B. PIERINI; C. G. SÁNCHEZ

Detailed analysis of water structure in a solvent mediated electron tunneling mechanism

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2011 vol. 23 p. 245305 - 245313

CRISTINA L. RAMIREZ; CÉSAR PEGORARO; LEONARDO TRUPP; ANDREA BRUTTOMESSO; VALENTÍN AMOREBIETA; D. MARIANO A. VERA; ALEJANDRO R. PARISE

Charge transfer properties of Troger base derivatives

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: London; Año: 2011 vol. 13 p. 2076 - 2080

MARCELO PUIATTI; D. MARIANO A. VERA*; ADRIANA B. PIERINI*

In search for an optimal methodology to calculate the valence electron affinities of temporary anions

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: London; Año: 2009 vol. 11 p. 9013 - 9024

M. PUIATTI; D. M. A. VERA *; A. B. PIERINI

Species with negative electron affinity and standard DFT methods. Finding the valence anions

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: London; Año: 2008 vol. 10 p. 1394 - 1399

F. SIMONA, A. MAGISTRATO, D. M. A. VERA, G. GARAU, A. J. VILA, P. CARLONI.

Protonation state and substrate binding to B2 metallo-b-lactamase CphA from Aeromonas hydrofila.

Proteins: Structure, Function, and Bioinformatics; Lugar: New York; Año: 2007 vol. 69 p. 595 - 695

V. GROSSO; C. PREVITALI; C. A. CHESTA; D. M. A. VERA *; A. B. PIERINI

An experimental and theoretical study on the electrostatic effect of an appended cationic group on electronic properties of aromatic systems

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: London; Año: 2007 vol. 9 p. 5988 - 5996

J. G. URANGA; D. M. A. VERA; A.S. SANTIAGO; A. B. PIERINI

Inter- and Intramolecular-Bridge-Mediated Electron Transfer in Aliphatic Halides

JOURNAL OF ORGANIC CHEMISTRY; Lugar: New York; Año: 2006 vol. 72 p. 6596 - 6599

D. M. A. VERA; A. B. PIERINI

Species with negative electron affinity and standard DFT methods

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: London; Año: 2004 vol. 6 p. 2899 - 2994

DRIANA B. PIERINI, ANA N. SANTIAGO, SIMÓN G. ALLENDE AND D. MARIANO A. VERA

Electron transfer reactions to 1-Adamantyl-, 1-Norbornyl Chlorides, and their Oxo Derivatives

Arkivoc; Año: 2003 vol. X p. 477 - 490

ADRIANA B. PIERINI, DOMINGO M. VERA

Ab initio Evaluation of Intramolecular Electron Transfer Reactions in Halobenzene Radical Anions and Derivatives

JOURNAL OF ORGANIC CHEMISTRY; Lugar: New York; Año: 2003 vol. 68 p. 9191 - 9199

D. MARIANO A. VERA, ADRIANA B. PIERINI

Theoretical Study of Elecron Transfer to Neopentyl Chloride and Phenyl-Substituted Derivatives

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Año: 2002 vol. 15 p. 894 - 902

A B PIERINI; J S DUCA; D M A VERA

A theoretical approach to understanding the fragmentation reaction of halonitrobenzene radical anions

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2; Lugar: London; Año: 1999 p. 1003 - 1010

D. MARIANO A. VERA; GERARDO A. ARGUELLO; GUSTAVO A. ARGUELLO; HÉCTOR E. GSPONER

The pH effect on the luminescence quenching of tris(2,2'-bipyridine)Ruthenim(II) by phenolic compounds

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY; Lugar: New York; Año: 1993 vol. 76 p. 13 - 19