ANCHI, ATHMANAND; SUTAR, SURAJ M.; KALKHAMBKAR, RAJESH G.; BOROSKY, GABRIELA L.; LAALI, KENNETH K.

Tropylium-BF4 as Organocatalyst for Efficient Synthesis of Nitriles from Aldoximes; Synthetic Scope and Mechanistic Insights

ChemistrySelect; Año: 2022 vol. 7

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

A DFT Computational and Synthetic Study of New Curcuminoidpropargyl Adducts with Pseudo-Cofacial Aryl Rings

ChemistrySelect; Año: 2022 vol. 7

MALUNAVAR, SHRUTI S.; ANCHI, ATHMANAND; PRABHALA, PAVANKUMAR; KALKHAMBKAR, RAJESH G.; BOROSKY, GABRIELA L.; LAALI, KENNETH K.

N-ethyltetramethylguanidinium ionic liquid [ETMG][EtSO3] as organocatalyst and solvent for facile amide synthesis by formyl-transfer with N-formyl-saccharin

TETRAHEDRON LETTERS; Año: 2022 vol. 104

INSUASTY, DANIEL; GARCÍA, STEPHANIE; ABONIA, RODRIGO; INSUASTY, BRAULIO; QUIROGA, JAIRO; NOGUERAS, MANUEL; COBO, JUSTO; BOROSKY, GABRIELA L.; LAALI, KENNETH K.

Design, synthesis, and molecular docking study of novel quinoline‐based bis‐chalcones as potential antitumor agents

ARCHIV DER PHARMAZIE.; Lugar: Weinheim; Año: 2021

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

Recent Advances in the Development of “Curcumin Inspired” Compounds as New Therapeutic Agents

MINI-REVIEWS IN MEDICINAL CHEMISTRY; Año: 2020 vol. 20 p. 1543 - 1558

SUTAR, SURAJ M.; SAVANUR, HEMANTKUMAR M.; KALKHAMBKAR, RAJESH G.; BOROSKY, GABRIELA L.; ARIDOSS, GOPALAKRISHNAN; LAALI, KENNETH K.

Ionic liquid catalyzed Ritter reaction/Pd-catalyzed directed Ortho-arylation; facile access to diverse libraries of biaryl-amides from Aryl-nitriles

TETRAHEDRON LETTERS; Año: 2020 vol. 61

LAALI, KENNETH K.; ZWARYCZ, ANGELA T.; BECK, NICHOLAS; BOROSKY, GABRIELA L.; NUKAYA, MANABU; KENNEDY, GREGORY D.

Curcumin Conjugates of Non‐steroidal Anti‐Inflammatory Drugs: Synthesis, Structures, Anti‐proliferative Assays, Computational Docking, and Inflammatory Response

ChemistryOpen; Lugar: Weinheim; Año: 2020 vol. 9 p. 822 - 834

BOROSKY, GABRIELA L.

Alkaline Phosphatases: In Silico Study on the Catalytic Effect of Conserved Active Site Residues Using Human Placental Alkaline Phosphatase (PLAP) As a Model Protein

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2020 vol. 60 p. 6228 - 6241

ABONIA, RODRIGO; GUTIÉRREZ, LUISA F.; INSUASTY, BRAULIO; QUIROGA, JAIRO; LAALI, KENNETH K.; ZHAO, CHUNQING; BOROSKY, GABRIELA L.; HORWITZ, SAMANTHA M.; BUNGE, SCOTT D.

Catalyst-free assembly of giant tris(heteroaryl)methanes: Synthesis of novel pharmacophoric triads and model sterically crowded tris(heteroaryl/aryl)methyl cation salts

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY; Año: 2019 vol. 15 p. 642 - 654

BOROSKY, GABRIELA L.; LAALI, KENNETH K.; MASCAL, MARK

Phospha- and arsa-bridged cyclononatetraenides: novel zwitterionic 10π aromatic hemispheres

NEW JOURNAL OF CHEMISTRY; Año: 2019 vol. 43 p. 6267 - 6273

LAALI, KENNETH K.; ZWARYCZ, ANGELA T.; BUNGE, SCOTT D.; BOROSKY, GABRIELA L.; NUKAYA, MANABU; KENNEDY, GREGORY D.

Deuterated Curcuminoids: Synthesis, Structures, Computational/Docking and Comparative Cell Viability Assays against Colorectal Cancer

CHEMMEDCHEM; Año: 2019 vol. 14 p. 1173 - 1184

LAALI, KENNETH K.; GREVES, WILLIAM J.; CORREA-SMITS, SEBASTIAN J.; ZWARYCZ, ANGELA T.; BUNGE, SCOTT D.; BOROSKY, GABRIELA L.; MANNA, ALAK; PAULUS, ANEEL; CHANAN-KHAN, ASHER

Novel fluorinated curcuminoids and their pyrazole and isoxazole derivatives: Synthesis, structural studies, Computational/Docking and in-vitro bioassay

JOURNAL OF FLUORINE CHEMISTRY; Año: 2018 vol. 206 p. 82 - 98

BOROSKY, GABRIELA L.; STAVBER, STOJAN; LAALI, KENNETH K.

Iodine activation of alcohols: a computational study.

TOPICS IN CATALYSIS; Lugar: New York; Año: 2018

LAALI, KENNETH K.; GREVES, WILLIAM J.; ZWARYCZ, ANGELA T.; CORREA-SMITS, SEBASTIAN J.; TROENDLE, FREDERICK J.; BOROSKY, GABRIELA L.; AKHTAR, SHAROON; MANNA, ALAK; PAULUS, ANEEL; CHANAN-KHAN, ASHER; NUKAYA, MANABU; KENNEDY, GREGORY D.

Synthesis, computational docking study, and biological evaluation of a library of heterocyclic curcuminoids with remarkable anti-tumor activity.

CHEMMEDCHEM; Lugar: Weinheim; Año: 2018

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

A computational study of SF5-substituted carbocations

JOURNAL OF FLUORINE CHEMISTRY; Año: 2017 vol. 197 p. 118 - 133

BOROSKY, GABRIELA L.

Quantum mechanical study on the catalytic mechanism of alkaline phosphatases

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2017

BOROSKY, GABRIELA L.

Computational study on the role of residue Arg166 in alkaline phosphatases

ARKIVOC - ONLINE JOURNAL OF ORGANIC CHEMISTRY; Lugar: Florida; Año: 2017

LAALI, KENNETH K.; JAMALIAN, A.; BOROSKY, GABRIELA L.

Piperidine-appended imidazolium ionic liquids as task-specific catalysts: computational study, synthesis, and multinuclear NMR

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Lugar: Londres; Año: 2016 vol. 29 p. 346 - 351

LAALI, KENNETH K.; RATHMAN, B.; BUNGE, S.; QI, X.; BOROSKY, GABRIELA L.

Fluoro-curcuminoids and curcuminoid-BF2 adducts: synthesis, x-ray structures, bioassay, and computational/docking study.

JOURNAL OF FLUORINE CHEMISTRY; Lugar: Amsterdam; Año: 2016 vol. 191 p. 29 - 41

BOROSKY, GABRIELA L.

Mutagenicity of heteroaromatic amines: computational study on the influence of methyl substituents.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING.; Lugar: Amsterdam; Año: 2016 vol. 69 p. 92 - 102

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

In silico study on chemical properties and reactivity of enal derivatives

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY; Lugar: Weinheim; Año: 2015

WEHMSCHULTE, R. J.; LAALI, KENNETH K.; BOROSKY, GABRIELA L.; POWELL, D. R.

Synthesis and structure of the first bridgehead silylium ion.

ORGANOMETALLICS; Lugar: Washington; Año: 2014 vol. 33 p. 2146 - 2149

JAMALIAN, A.; RATHMAN, B.; BOROSKY, GABRIELA L.; LAALI, KENNETH K.

Catalytic, regioselective, and green methods for rearrangement of 1,2-diaryl epoxides to carbonyl compounds employing metallic triflates, Brønsted-acidic ionic liquids (ILs), and IL/microwave; experimental and computational substituent effect study on ary

APPLIED CATALYSIS A-GENERAL; Lugar: Amsterdam; Año: 2014 vol. 486 p. 1 - 11

BOROSKY, GABRIELA L.

Catalytic activity of human placental alkaline phosphatase (PLAP): insights from a computational study

JOURNAL OF PHYSICAL CHEMISTRY B; Año: 2014 vol. 118 p. 14302 - 14313

LAALI, KENNETH K.; BOROSKY, GABRIELA L.

Alpha-sulfur or alpha-fluorine: which is more stabilizing for a carbocation? A computational study of electrophilic addition to HFC=CH(SMe) and FC(R1)=CR2(SMe) and related model systems.

JOURNAL OF FLUORINE CHEMISTRY; Lugar: Amsterdam; Año: 2013 p. 26 - 31

BOROSKY, GABRIELA L.

Quantum-chemical studies on mutagenicity of aromatic and heteroaromatic amines.

FRONTIERS IN BIOSCIENCE-LANDMARK; Año: 2013 p. 600 - 610

LAALI, KENNETH K.; NANDI, G. C.; BOROSKY, GABRIELA L.; KUMAR, G.

Electrophilic addition of propargylic cations to allenes: formation of crowded chloro- (azido-) enynes by trapping of the resulting allylic cations with TMSX (X = Cl, N3); a synthetic and computational study.

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY; Lugar: Weinheim; Año: 2013 vol. 2013 p. 5455 - 5463

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

In Silico study of carcinogenic ortho-quinone metabolites derived from polycyclic aromatic hydrocarbons (PAHs)

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Año: 2012 p. 720 - 728

ARIDOSS, G.; ZHAO, C.; BOROSKY, GABRIELA L.; LAALI, KENNETH K.

Experimental and GIAO 15N NMR study of substituent effects in 1H-tetrazoles.

JOURNAL OF ORGANIC CHEMISTRY; Año: 2012 p. 4152 - 4155

BOROSKY, GABRIELA L.; OKAZAKI, TAKAO; LAALI, KENNETH K.

A computational (DFT, MP2) and GIAO NMR study of substituent effects in benzenediazonium mono- and dications

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY; Año: 2011 vol. 2011 p. 1771 - 1775

BOROSKY, GABRIELA L.; LIN, SUSANA

Computational modeling of the catalytic mechanism of human placental alkaline phosphatase (PLAP)

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2011 vol. 51 p. 2538 - 2548

MUSCIA, GISELA C.; CAZORLA, SILVIA I.; FRANK, FERNANDA M.; BOROSKY, GABRIELA L.; BULDAIN, GRACIELA Y.; ASÍS, SILVIA E.; MALCHIODI, EMILIO L.

Synthesis, trypanocidal activity and molecular modeling studies of 2-alkylaminomethylquinoline derivatives

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2011 p. 3696 - 3703

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

Oxidized metabolites from cyclopenta-fused polycyclic aromatic hydrocarbons (CP-PAHs). A DFT model study of their carbocations formed by epoxide ring opening.

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Año: 2010 p. 810 - 818

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

A computational study (DFT, MP2, and GIAO-DFT) of substituent effects on protonation regioselectivity in beta,beta-disubstituted vinyldiazonium cations; formation of highly delocalized carbenium-diazonium dications.

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Año: 2010 vol. 23 p. 115 - 125

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

A DFT model study of the carbocations formed via the fjord- and bay-region diol epoxide metabolites of isomeric dibenzopyrenes and naphthopyrene.

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY; Año: 2009 vol. 2009 p. 3331 - 3339

BOROSKY, GABRIELA L.

Quantum chemical studies on ultimate carcinogenic metabolites from polycyclic aromatic hydrocarbons.

CURRENT MEDICINAL CHEMISTRY.; Año: 2008 vol. 15 p. 2901 - 2920

BOROSKY, GABRIELA L.

Carcinogenic carbocyclic and heterocyclic aromatic amines: a DFT study concerning their mutagenic potency.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING.; Año: 2008 vol. 27 p. 459 - 465

LAALI, KENNETH K.; CHUN, J.-H.; OKAZAKI, T.; KUMAR, S.; BOROSKY, GABRIELA L.; SWARTZ, C.

Electrophilic chemistry of thia-PAHs: stable carbocations (NMR and DFT), S-alkylated onium salts, model electrophilic substitutions (nitration and bromination) and mutagenicity assay.

JOURNAL OF ORGANIC CHEMISTRY; Año: 2007 vol. 72 p. 8383 - 8393

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

Oxidized metabolites from benzo[a]pyrene, benzo[e]pyrene, and aza-benzo[a]pyrenes. A computational study of their carbocations formed by epoxide ring opening reactions.

ORGANIC & BIOMOLECULAR CHEMISTRY; Año: 2007 vol. 5 p. 2234 - 2242

BOROSKY, GABRIELA L.

Ultimate carcinogenic metabolites from aromatic and heterocyclic aromatic amines: a computational study in relation to their mutagenic potency

CHEMICAL RESEARCH IN TOXICOLOGY (WASHINGTON); Año: 2007 vol. 20 p. 171 - 180

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

Carbocations from oxidized metabolites of benzo[a]anthracene: a computational study of their methylated and fluorinated derivatives and guanine adducts.

CHEMICAL RESEARCH IN TOXICOLOGY (WASHINGTON); Lugar: Washington; Año: 2006 vol. 19 p. 899 - 907

BOROSKY, GABRIELA L.,; LAALI, KENNETH K.

Theoretical Study of Aza-Polycyclic Aromatic Hydrocarbons (Aza-PAHs), Modeling Carbocations from Oxidized Metabolites and their Covalent Adducts with Representative Nucleophiles.

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: Cambridge, UK; Año: 2005 vol. 3 p. 1180 - 1188

BOROSKY, GABRIELA L.; LAALI, KENNETH K.

A Computational Study of Carbocations from Oxidized Metabolites of Dibenzo[a,h]acridine and their Fluorinated and Methylated Derivatives.

CHEMICAL RESEARCH IN TOXICOLOGY (WASHINGTON); Lugar: Washington, USA; Año: 2005 vol. 18 p. 1876 - 1886

BOROSKY, GABRIELA L.; PIERINI, ADRIANA B.

Density Functional Calculations on Dissociation Reactions of Radical Anions of 5-Fluorouracil Derivatives.

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: Cambridge, UK; Año: 2005 vol. 3 p. 649 - 653

BOROSKY, GABRIELA L.

Theoretical Study Concerning the Reactivity of Imine Derivatives of Polycyclic Aromatic Hydrocarbons.

JOURNAL OF COMPUTATIONAL CHEMISTRY; Año: 2003 vol. 24 p. 601 - 608

BOROSKY, GABRIELA L.; MUÑOZ, FRANCISCO

Chemical Reactivity of Oxo and Aza-g-Lactam Rings.

HELVETICA CHIMICA ACTA; Año: 2001 vol. 84 p. 526 - 534

BOROSKY, GABRIELA L.

Calculations Related to the Reactivity of Polycyclic Aromatic Hydrocarbon Episulfides.

HELVETICA CHIMICA ACTA; Año: 2001 vol. 84 p. 3588 - 3599

BOROSKY, GABRIELA L.; PIERINI, ADRIANA B.

Radical Anions from 5-Fluorouracil Derivatives. A Theoretical Study of their Cleavage and Orbital Isomerism.

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2000 vol. 499 p. 151 - 160

BOROSKY, GL; PIERINI, AB

Theoretical calculations concerning the fragmentation of organotin and organosilicon radical cations

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 1999 vol. 466 p. 165 - 175

BOROSKY, GABRIELA L.

Theoretical Study Related to the Carcinogenic Activity of Polycyclic Aromatic Hydrocarbon Derivatives

JOURNAL OF ORGANIC CHEMISTRY; Año: 1999 vol. 64 p. 7738 - 7744

BOROSKY, GABRIELA L.

Ab Initio Calculations of [1,2]-Shifts in Carbanions. Theoretical Predictions of Certain Facile Rearrangements.

JOURNAL OF ORGANIC CHEMISTRY; Año: 1998 vol. 63 p. 3337 - 3345

ROSSI, ROBERTO A.; PIERINI, ADRIANA B.; BOROSKY, GABRIELA L.

Reactivity of 1-Iodoadamantane with Carbanions by the SRN1 Mechanism.

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2; Año: 1994 p. 2577 - 2581

BOROSKY, GABRIELA L.; PIERINI, ADRIANA B.; ROSSI, ROBERTO A.

Differences in Reactivity of Stabilized Carbanions with Haloarenes in the Initiation and Propagation Steps of the SRN1 Mechanism in DMSO.

JOURNAL OF ORGANIC CHEMISTRY; Año: 1992 vol. 57 p. 247 - 252

BOROSKY, GABRIELA L.; BAUMGARTNER, MARÍA T.; PIERINI, ADRIANA B.

An AM1 Study of the Coupling Reaction of Radicals with the Acetone Enolate Ion and Some Related Nucleophiles.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Año: 1992 vol. 44 p. 759 - 772

BOROSKY, GABRIELA L.; PIERINI, ADRIANA B.; ROSSI, ROBERTO A.

The Photostimulated Reaction of 1 Iodoadamantane with Carbanionic Nucleophiles in DMSO by the SRN1 Mechanism.

JOURNAL OF ORGANIC CHEMISTRY; Año: 1990 vol. 55 p. 3705 - 3707