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1

Differences in reactivity of stabilized carbanions with haloarenes in the initiation and propagation steps of the SRN1 mechanism in DMSO

Borosky, Gabriela L., Pierini, Adriana B., Rossi, Roberto A.

Journal:

Journal of Organic Chemistry

Year:

1992

Language:

english

File:

PDF, 812 KB

english, 1992

2

A computational study of SF 5 -substituted carbocations

Borosky, Gabriela L., Laali, Kenneth K.

Journal:

Journal of Fluorine Chemistry

Year:

2017

Language:

english

File:

PDF, 3.13 MB

english, 2017

3

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

Gabriela L. Borosky

Journal:

Journal of Molecular Graphics and Modelling

Year:

2008

Language:

english

File:

PDF, 715 KB

english, 2008

4

Quantum-Mechanical Study on the Catalytic Mechanism of Alkaline Phosphatases

Borosky, Gabriela L.

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 2.11 MB

english, 2017

5

A Computational (DFT, MP2) and GIAO NMR Study of Substituent Effects in Benzenediazonium Mono- and Dications

Gabriela L. Borosky, Takao Okazaki, Kenneth K. Laali

Journal:

European Journal of Organic Chemistry

Year:

2011

Language:

english

File:

PDF, 173 KB

english, 2011

6

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

Abonia, Rodrigo, Gutiérrez, Luisa F, Insuasty, Braulio, Quiroga, Jairo, Laali, Kenneth K, Zhao, Chunqing, Borosky, Gabriela L, Horwitz, Samantha M, Bunge, Scott D

Journal:

Beilstein Journal of Organic Chemistry

Year:

2019

File:

PDF, 2.53 MB

2019

7

ChemInform Abstract: Synthesis, Trypanocidal Activity and Molecular Modeling Studies of 2-Alkylaminomethylquinoline Derivatives.

Gisela C. Muscia, Silvia I. Cazorla, Fernanda M. Frank, Gabriela L. Borosky, Graciela Y. Buldain, Silvia E. Asis, Emilio L. Malchiodi

Journal:

Year:

2012

File:

PDF, 22 KB

2012

8

Theoretical study of aza-polycyclic aromatic hydrocarbons (aza-PAHs), modelling carbocations from oxidized metabolites and their covalent adducts with representative nucleophiles

Borosky, Gabriela L., Laali, Kenneth K.

Journal:

Organic & Biomolecular Chemistry

Year:

2005

Language:

english

File:

PDF, 342 KB

english, 2005

9

Computational Modeling of the Catalytic Mechanism of Human Placental Alkaline Phosphatase (PLAP)

Borosky, Gabriela L., Lin, Susana

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 3.88 MB

english, 2011

10

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

Laali, Kenneth K., Jamalian, Arezu, Borosky, Gabriela L.

Journal:

Journal of Physical Organic Chemistry

Year:

2016

Language:

english

File:

PDF, 742 KB

english, 2016

11

Calculations Related to the Reactivity of Polycyclic Aromatic Hydrocarbon Episulfides

Gabriela L. Borosky

Journal:

Helvetica Chimica Acta

Year:

2001

Language:

english

File:

PDF, 124 KB

english, 2001

12

Carbocations from Oxidized Metabolites of Benzo[ a ]anthracene: A Computational Study of Their Methylated and Fluorinated Derivatives and Guanine Adducts

Borosky, Gabriela L., Laali, Kenneth K.

Journal:

Chemical Research in Toxicology

Year:

2006

Language:

english

File:

PDF, 269 KB

english, 2006

13

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

Borosky, Gabriela L.

Journal:

Journal of Organic Chemistry

Year:

1998

Language:

english

File:

PDF, 109 KB

english, 1998

14

Chemical Reactivity of Oxo- and Aza-γ-lactam Rings

Gabriela L. Borosky, Francisco Muñoz

Journal:

Helvetica Chimica Acta

Year:

2001

Language:

english

File:

PDF, 105 KB

english, 2001

15

Fluoro-curcuminoids and curcuminoid-BF2 adducts: Synthesis, X-ray structures, bioassay, and computational/docking study

Laali, Kenneth K., Rathman, Benjamin M., Bunge, Scott D., Qi, Xin, Borosky, Gabriela L.

Journal:

Journal of Fluorine Chemistry

Year:

2016

Language:

english

File:

PDF, 2.18 MB

english, 2016

16

Electrophilic Addition of Propargylic Cations to Allenes: Formation of Crowded Chloro- and Azido-Enynes by Trapping of the Resulting Allylic Cations with TMSX (X = Cl, N 3 ): A Synthetic and Computational Study

Laali, Kenneth K., Nandi, Ganesh C., Borosky, Gabriela L., Kumar, G. G. K. S. Narayana

Journal:

European Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 908 KB

english, 2013

17

Synthesis, Computational Docking Study, and Biological Evaluation of a Library of Heterocyclic Curcuminoids with Remarkable Antitumor Activity

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, Nu

Journal:

Year:

2018

Language:

english

File:

PDF, 3.06 MB

english, 2018

18

Theoretical study concerning the reactivity of imine derivatives of polycyclic aromatic hydrocarbons

Gabriela L. Borosky

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 137 KB

english, 2003

19

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

Borosky, Gabriela L., Laali, Kenneth K.

Journal:

Organic & Biomolecular Chemistry

Year:

2007

Language:

english

File:

PDF, 353 KB

english, 2007

20

Synthesis and Structure of the First Bridgehead Silylium Ion

Wehmschulte, Rudolf J., Laali, Kenneth K., Borosky, Gabriela L., Powell, Douglas R.

Journal:

Organometallics

Year:

2014

Language:

english

File:

PDF, 528 KB

english, 2014

21

Photostimulated reaction of 1-iodoadamantane with carbanionic nucleophiles in DMSO by the SRN1 mechanism

Borosky, Gabriela L., Pierini, Adriana B., Rossi, Roberto A.

Journal:

Journal of Organic Chemistry

Year:

1990

Language:

english

File:

PDF, 352 KB

english, 1990

22

A comprehensive Y-STR portrait of Argentinean populations

Toscanini, Ulises, Vullo, Carlos, Berardi, Gabriela, Llull, Cintia, Borosky, Alicia, Gómez, Andrea, Pardo-Seco, Jacobo, Salas, Antonio

Journal:

Forensic Science International: Genetics

Year:

2015

Language:

english

File:

PDF, 277 KB

english, 2015

23

In Silico Study on Chemical Properties and Reactivity of Enal Derivatives

Borosky, Gabriela L., Laali, Kenneth K.

Journal:

European Journal of Organic Chemistry

Year:

2015

Language:

english

File:

PDF, 8.79 MB

english, 2015

24

Ionic Liquid Catalyzed Ritter Reaction/Pd-Catalyzed Directed Ortho-Arylation; Facile Access to Diverse Libraries of Biaryl-amides from Aryl-nitriles

Sutar, Suraj M., Savanur, Hemantkumar M., Kalkhambkar, Rajesh G., Borosky, Gabriela L., Aridoss, Gopalakrishnan, Laali, Kenneth K.

Journal:

Tetrahedron Letters

Year:

2020

File:

PDF, 597 KB

2020

25

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

Gabriela L. Borosky, Kenneth K. Laali

Journal:

Journal of Physical Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 411 KB

english, 2010

26

Mutagenicity of heteroaromatic amines: Computational study on the influence of methyl substituents

Borosky, Gabriela L.

Journal:

Journal of Molecular Graphics and Modelling

Year:

2016

Language:

english

File:

PDF, 2.73 MB

english, 2016

27

Novel Fluorinated Curcuminoids and their Pyrazole and Isoxazole Derivatives: Synthesis, Structural Studies, Computational/Docking and in-vitro Bioassay

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

Journal:

Journal of Fluorine Chemistry

Year:

2017

Language:

english

File:

PDF, 1.70 MB

english, 2017

28

Radical anions from 5-fluorouracil derivatives. A theoretical study of their cleavage and orbital isomerism

Gabriela L. Borosky, Sei-ichi Nishimoto, Adriana B. Pierini

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 200 KB

english, 2000

29

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

Borosky, Gabriela L.

Journal:

Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 126 KB

english, 1999

30

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

Gabriela L. Borosky, Kenneth K. Laali

Journal:

Journal of Physical Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 400 KB

english, 2010

31

Quantum Chemical Studies on Ultimate Carcinogenic Metabolites from Polycyclic Aromatic Hydrocarbons

Borosky, Gabriela

Journal:

Current Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 622 KB

english, 2008

32

In Silico study of carcinogenic o-Quinone metabolites derived from polycyclic aromatic hydrocarbons (PAHs)

Gabriela L. Borosky, Kenneth K. Laali

Journal:

Journal of Physical Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 5.96 MB

english, 2012

33

ChemInform Abstract: Electrophilic Addition of Propargylic Cations to Allenes: Formation of Crowded Chloro- and Azido-Enynes by Trapping of the Resulting Allylic Cations with TMSX (X: CI, N 3 ): A Synthetic and Computational Study.

Laali, Kenneth K., Nandi, Ganesh C., Borosky, Gabriela L., Kumar, G. G. K. S. Narayana

Journal:

Year:

2014

File:

PDF, 33 KB

2014

34

Iodine Activation of Alcohols: A Computational Study

Borosky, Gabriela L., Stavber, Stojan, Laali, Kenneth K.

Journal:

Topics in Catalysis

Year:

2018

Language:

english

File:

PDF, 1.15 MB

english, 2018

35

Front Cover: Synthesis, Computational Docking Study, and Biological Evaluation of a Library of Heterocyclic Curcuminoids with Remarkable Antitumor Activity (ChemMedChem 18/2018)

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, Nu

Journal:

Year:

2018

File:

PDF, 406 KB

2018

36

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

Laali, Kenneth K., Zwarycz, Angela, Bunge, Scott, Borosky, Gabriela, Nukaya, Manabu, Kennedy, Gregory

Journal:

Year:

2019

Language:

english

File:

PDF, 2.27 MB

english, 2019

37

Ultimate Carcinogenic Metabolites from Aromatic and Heterocyclic Aromatic Amines: A Computational Study in Relation to Their Mutagenic Potency

Borosky, Gabriela L.

Journal:

Chemical Research in Toxicology

Year:

2007

Language:

english

File:

PDF, 427 KB

english, 2007

38

Computational study on the role of residue Arg166 in alkaline phosphatases

Borosky, Gabriela L., Kotali, Antigoni

Journal:

Year:

2017

Language:

english

File:

PDF, 2.00 MB

english, 2017

39

A DFT Model Study of the Carbocations Formed via the Fjord- and Bay-Region Diol Epoxide Metabolites of Isomeric Dibenzopyrenes and Naphthopyrene

Gabriela L. Borosky, Kenneth K. Laali

Journal:

European Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 772 KB

english, 2009

40

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

Laali, Kenneth K., Zwarycz, Angela, Bunge, Scott, Borosky, Gabriela, Nukaya, Manabu, Kennedy, Gregory

Journal:

Year:

2019

File:

PDF, 2.27 MB

2019

41

Experimental and GIAO 15 N NMR Study of Substituent Effects in 1 H -Tetrazoles

Aridoss, Gopalakrishnan, Zhao, Chunqing, Borosky, Gabriela L., Laali, Kenneth K.

Journal:

Journal of Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 764 KB

english, 2012

42

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 aryl versus hydrogen migration

Jamalian, Arezu, Rathman, Benjamin, Borosky, Gabriela L., Laali, Kenneth K.

Journal:

Applied Catalysis A: General

Year:

2014

Language:

english

File:

PDF, 991 KB

english, 2014

43

Curcumin Conjugates of Nonâsteroidal AntiâInflammatory Drugs: Synthesis, Structures, Antiâproliferative Assays, Computational Docking, and Inflammatory Response

Laali, Kenneth K., Zwarycz, Angela T., Beck, Nicholas, Borosky, Gabriela L., Nukaya, Manabu, Kennedy, Gregory D.

Journal:

Year:

2020

File:

PDF, 1.80 MB

2020

44

ChemInform Abstract: Stable Carbocations and Onium Ions from Polycondensed Aromatic and Heteroaromatic Compounds as Models for Biological Electrophiles and DNA-Transalkylating Agents

Kenneth K. Laali, Gabriela L. Borosky

Journal:

Year:

2010

File:

PDF, 15 KB

2010

45

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

Gisela C. Muscia, Silvia I. Cazorla, Fernanda M. Frank, Gabriela L. Borosky, Graciela Y. Buldain, Silvia E. Asís, Emilio L. Malchiodi

Journal:

European Journal of Medicinal Chemistry

Year:

2011

Language:

english

File:

PDF, 450 KB

english, 2011

46

Catalytic Activity of Human Placental Alkaline Phosphatase (PLAP): Insights from a Computational Study

Borosky, Gabriela L.

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 3.31 MB

english, 2014

47

Reactivity of 1-iodoadamantane with carbanions by the SRN1 mechanism

Rossi, Roberto A., Pierini, Adriana B., Borosky, Gabriela L.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1994

Language:

english

File:

PDF, 737 KB

english, 1994

48

Quantum-chemical studies on mutagenicity of aromatic and heteroaromatic amines

Borosky, Gabriela L

Journal:

Frontiers in Bioscience

Year:

2013

Language:

english

File:

PDF, 266 KB

english, 2013

49

α-Sulfur or α-fluorine—Which is more stabilizing for a carbocation? A computational study of electrophilic addition to HFCCH(SMe) and FC(R1)CR2(SMe) and related model systems

Laali, Kenneth K., Borosky, Gabriela L.

Journal:

Journal of Fluorine Chemistry

Year:

2013

Language:

english

File:

PDF, 1.47 MB

english, 2013

50

Density functional calculations on dissociation reactions of radical anions of 5-fluorouracil derivatives

Borosky, Gabriela L., Pierini, Adriana B.

Journal:

Organic & Biomolecular Chemistry

Year:

2005

Language:

english

File:

PDF, 179 KB

english, 2005

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