Search Results - "Borosky, Gabriela L"

Recent Advances in the Development of "Curcumin Inspired" Compounds as New Therapeutic Agents by Borosky, Gabriela L, Laali, Kenneth K

“…Despite a huge body of research in the past two decades investigating the antioxidant, antiinflammatory, anti-microbial, and anti-carcinogenic properties of…”
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Catalyst-free assembly of giant tris(heteroaryl)methanes: synthesis of novel pharmacophoric triads and model sterically crowded tris(heteroaryl/aryl)methyl cation salts by Abonia, Rodrigo, Gutiérrez, Luisa F, Insuasty, Braulio, Quiroga, Jairo, Laali, Kenneth K, Zhao, Chunqing, Borosky, Gabriela L, Horwitz, Samantha M, Bunge, Scott D

“…A series of giant tris(heteroaryl)methanes are easily assembled by one-pot three-component synthesis by simple reflux in ethanol without catalyst or additives…”
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Curcumin Conjugates of Non‐steroidal Anti‐Inflammatory Drugs: Synthesis, Structures, Anti‐proliferative Assays, Computational Docking, and Inflammatory Response by Laali, Kenneth K., Zwarycz, Angela T., Beck, Nicholas, Borosky, Gabriela L., Nukaya, Manabu, Kennedy, Gregory D.

“…In an effort to combine the anti‐proliferative effect of CUR‐BF2 and CUR compounds with anti‐inflammatory benefits of non‐steroidal anti‐inflammatory drugs…”
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Synthesis and Structure of the First Bridgehead Silylium Ion by Wehmschulte, Rudolf J, Laali, Kenneth K, Borosky, Gabriela L, Powell, Douglas R

“…We report the first successful synthesis of the long-sought arene-solvated bridgehead silylium ion [Si4Me3(CH2)6][CHB11Cl11] by hydride abstraction from the…”
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Alkaline Phosphatases: in Silico Study on the Catalytic Effect of Conserved Active Site Residues Using Human Placental Alkaline Phosphatase (PLAP) As a Model Protein by Borosky, Gabriela L

“…The metalloenzymes from the alkaline phosphatase (AP) superfamily catalyze the hydrolysis and transphosphorylation of phosphate monoesters. The role of several…”
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Quantum-Mechanical Study on the Catalytic Mechanism of Alkaline Phosphatases by Borosky, Gabriela L

“…Alkaline phosphatases (APs) catalyze the hydrolysis and transphosphorylation of phosphate monoesters. The catalytic mechanism was examined by…”
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Catalytic Activity of Human Placental Alkaline Phosphatase (PLAP): Insights from a Computational Study by Borosky, Gabriela L

“…Alkaline phosphatases (APs) catalyze the hydrolysis and transphosphorylation of phosphate monoesters. Quantum-mechanical computational methods were employed to…”
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Computational study on the role of residue Arg166 in alkaline phosphatases by Borosky, Gabriela L.

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Mutagenicity of heteroaromatic amines: Computational study on the influence of methyl substituents by Borosky, Gabriela L

“…Quantum mechanical calculations were performed to elucidate the factors determining the variations in mutagenic activity within groups of isomeric…”
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Novel fluorinated curcuminoids and their pyrazole and isoxazole derivatives: Synthesis, structural studies, Computational/Docking and in-vitro bioassay by 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

“…Binding interactions of a curcuminoid-BF2 adduct in the active site of proteasome [Display omitted] •Synthesis of new CUR-inspired compounds with various…”
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Design, synthesis, and molecular docking study of novel quinoline‐based bis‐chalcones as potential antitumor agents by Insuasty, Daniel, García, Stephanie, Abonia, Rodrigo, Insuasty, Braulio, Quiroga, Jairo, Nogueras, Manuel, Cobo, Justo, Borosky, Gabriela L., Laali, Kenneth K.

“…A novel series of quinoline‐based symmetrical and unsymmetrical bis‐chalcones was synthesized via a Claisen–Schmidt condensation reaction between…”
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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 by Jamalian, Arezu, Rathman, Benjamin, Borosky, Gabriela L., Laali, Kenneth K.

“…•Regioselective and green methods for ring opening of 1,2-diarylepoxide are reported.•Catalysis by metallic triflates in DCM and in ionic liquids…”
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Iodine Activation of Alcohols: A Computational Study by Borosky, Gabriela L., Stavber, Stojan, Laali, Kenneth K.

“…A DFT study aimed at unravelling the origin of catalytic activity of iodine in reaction with alcohols is presented. Computed free energies for generation of…”
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Deuterated Curcuminoids: Synthesis, Structures, Computational/Docking and Comparative Cell Viability Assays against Colorectal Cancer by Laali, Kenneth K., Zwarycz, Angela T., Bunge, Scott D., Borosky, Gabriela L., Nukaya, Manabu, Kennedy, Gregory D.

“…A series of deuterated curcuminoids (CUR) were synthesized, bearing two to six OCD3 groups, in some cases in combination with methoxy groups, and in others…”
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A computational study of SF5-substituted carbocations by Borosky, Gabriela L., Laali, Kenneth K.

“…[Display omitted] •SF5-bearing carbocations.•Relative electronegativity of SF5 compared to other strongly electron-withdrawing groups.•Evidence for fluoronium…”
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Computational Modeling of the Catalytic Mechanism of Human Placental Alkaline Phosphatase (PLAP) by Borosky, Gabriela L, Lin, Susana

“…Alkaline phosphatases (APs) catalyze the hydrolysis and transphosphorylation of phosphate monoesters. Quantum mechanical, molecular dynamics, and molecular…”
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In Silico Study on Chemical Properties and Reactivity of Enal Derivatives by Borosky, Gabriela L., Laali, Kenneth K.

“…The chemical properties and reactivity of enals were explored by means of quantum chemical methods of calculation. The substituent effects were examined by…”
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Ultimate Carcinogenic Metabolites from Aromatic and Heterocyclic Aromatic Amines:  A Computational Study in Relation to Their Mutagenic Potency by Borosky, Gabriela L

“…The formation of nitrenium ions from their precursors was examined by density functional theory (DFT) calculations in order to analyze the role of these…”
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Piperidine-appended imidazolium ionic liquids as task-specific catalysts: computational study, synthesis, and multinuclear NMR by Laali, Kenneth K., Jamalian, Arezu, Borosky, Gabriela L.

“…Imidazolium ionic liquids (IMILs) with a piperidine moiety appended via variable length methylene spacers (with n = 1–4) were studied computationally to assess…”
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Synthesis, Computational Docking Study, and Biological Evaluation of a Library of Heterocyclic Curcuminoids with Remarkable Antitumor Activity by 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.

“…In a continuing search for curcuminoid (CUR) compounds with antitumor activity, a novel series of heterocyclic CUR–BF2 adducts and CUR compounds based on…”
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