Search Results - "Leahy, David"

A Pharmaceutical Industry Perspective on Sustainable Metal Catalysis by Hayler, John D, Leahy, David K, Simmons, Eric M

“…As companies grow ever more mindful of the sustainability aspects of their products and supply chains, an increasing focus on the environmental impact of…”
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Cross-validation pitfalls when selecting and assessing regression and classification models by Krstajic, Damjan, Buturovic, Ljubomir J, Leahy, David E, Thomas, Simon

“…Background We address the problem of selecting and assessing classification and regression models using cross-validation. Current state-of-the-art methods can…”
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Catalytic asymmetric and stereodivergent oligonucleotide synthesis by Featherston, Aaron L, Kwon, Yongseok, Pompeo, Matthew M, Engl, Oliver D, Leahy, David K, Miller, Scott J

“…We report the catalytic stereocontrolled synthesis of dinucleotides. We have demonstrated, for the first time to our knowledge, that chiral phosphoric acid…”
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Evaluating the Impact of a Decade of Funding from the Green Chemistry Institute Pharmaceutical Roundtable by Koenig, Stefan G, Leahy, David K, Wells, Andrew S

“…Starting in 2007, the ACS Green Chemistry Institute Pharmaceutical Roundtable (GCIPR) has invested in sustainable chemical reactions and technologies in order…”
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Scalable α-Arylation of Nitriles in Aqueous Micelles using Ultrasmall Pd Nanoparticles: Surprising Formation of Carbanions in Water by Bihani, Manisha, Ansari, Tharique N, Finck, Lucie, Bora, Pranjal P, Jasinski, Jacek B, Pavuluri, Bhavana, Leahy, David K, Handa, Sachin

“…A scalable synthetic method is described for both the preparation of ultrasmall palladium nanoparticles and their subsequent use in catalyzing an α-arylation…”
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Physiologically based pharmacokinetic modeling 1: predicting the tissue distribution of moderate-to-strong bases by Rodgers, Trudy, Leahy, David, Rowland, Malcolm

“…Tissue-to-plasma water partition coefficients (Kpu's) form an integral part of whole body physiologically based pharmacokinetic (WBPBPK) models. This research…”
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Bisulfite Addition Compounds as Substrates for Reductive Aminations in Water by Li, Xiaohan, Iyer, Karthik S, Thakore, Ruchita R, Leahy, David K, Bailey, J. Daniel, Lipshutz, Bruce H

“…Highly valued products resulting from reductive aminations utilizing shelf-stable bisulfite addition compounds of aldehydes can be made under aqueous micellar…”
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Asymmetric Hydrogenation of Indazole-Containing Enamides Relevant to the Synthesis of Zavegepant Using Neutral and Cationic Cobalt Precatalysts by Mendelsohn, Lauren N., MacNeil, Connor S., Esposito, Madison R., Pabst, Tyler P., Leahy, David K., Davies, Ian W., Chirik, Paul J.

“…The cobalt-catalyzed asymmetric hydrogenation of indazole-containing enamides relevant to the synthesis of the calcitonin gene-related peptide (CGRP) receptor…”
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Improved iGAL 2.0 Metric Empowers Pharmaceutical Scientists to Make Meaningful Contributions to United Nations Sustainable Development Goal 12 by Roschangar, Frank, Li, Jun, Zhou, Yanyan, Aelterman, Wim, Borovika, Alina, Colberg, Juan, Dickson, David P, Gallou, Fabrice, Hayler, John D, Koenig, Stefan G, Kopach, Michael E, Kosjek, Birgit, Leahy, David K, O’Brien, Erin, Smith, Austin G, Henry, Manuel, Cook, Jutta, Sheldon, Roger A

“…The large and steadily growing demand for medicines combined with their inherent resource-intensive manufacturing necessitates a relentless push for their…”
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Catalytic Sulfamoylation of Alcohols with Activated Aryl Sulfamates by Rapp, Peter B, Murai, Koichi, Ichiishi, Naoko, Leahy, David K, Miller, Scott J

“…We report a new catalytic method for alcohol sulfamoylation that deploys electron-deficient aryl sulfamates as activated group transfer reagents. The reaction…”
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Metal–Micelle Cooperativity: Phosphine Ligand-Free Ultrasmall Palladium(II) Nanoparticles for Oxidative Mizoroki–Heck-type Couplings in Water at Room Temperature by Ansari, Tharique N., Jasinski, Jacek B., Leahy, David K., Handa, Sachin

“…The amphiphile PS-750-M generates stable, phosphine ligand-free, and catalytically active ultrasmall Pd(II) nanoparticles (NPs) from Pd(OAc) 2 , preventing…”
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Shielding Effect of Nanomicelles: Stable and Catalytically Active Oxidizable Pd(0) Nanoparticle Catalyst Compatible for Cross-Couplings of Water-Sensitive Acid Chlorides in Water by Ansari, Tharique N., Sharma, Sudripet, Hazra, Susanta, Jasinski, Jacek B., Wilson, Andrew J., Hicks, Frederick, Leahy, David K., Handa, Sachin

“…Under the shielding effect of nanomicelles, a sustainable micellar technology for the design and convenient synthesis of ligand-free oxidizable ultrasmall…”
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Leveraging a “Catch–Release” Logic Gate Process for the Synthesis and Nonchromatographic Purification of Thioether- or Amine-Bridged Macrocyclic Peptides by Kheirabadi, Mahboubeh, Creech, Gardner S, Qiao, Jennifer X, Nirschl, David S, Leahy, David K, Boy, Kenneth M, Carter, Percy H, Eastgate, Martin D

“…Macrocyclic peptides containing N-alkylated amino acids have emerged as a promising therapeutic modality, capable of modulating protein–protein interactions…”
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Development of a Scalable Synthesis of the Small Molecule TGFβR1 Inhibitor BMS-986260 by Vetrichelvan, Muthalagu, Rakshit, Souvik, Chandrasekaran, Sathishkumar, Chinnakalai, Karthikeyan, Darne, Chetan Padmakar, Doddalingappa, Dyamanna, Gopikumar, Indasi, Gupta, Anuradha, Gupta, Arun Kumar, Karmakar, Ananta, Lakshminarasimhan, Thirumalai, Leahy, David K, Palani, Senthil, Radhakrishnan, Vignesh, Rampulla, Richard, Savarimuthu, Antony, Subramanian, Varadharajan, Velaparthi, Upender, Warrier, Jayakumar, Eastgate, Martin D, Borzilleri, Robert M, Mathur, Arvind, Vaidyanathan, Rajappa

“…A scalable route to the small molecule TGFβR1 inhibitor BMS-986260 (1) was developed. This alternative approach circumvented the purification of intermediates…”
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Seven Important Elements for an Effective Green Chemistry Program: An IQ Consortium Perspective by Leahy, David K, Tucker, John L, Mergelsberg, Ingrid, Dunn, Peter J, Kopach, Michael E, Purohit, Vikram C

“…The authors of this concept article are members of the IQ Green Chemistry working group, one of many subgroups of the International Consortium for Innovation…”
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Laser induced mortality of Anopheles stephensi mosquitoes by Keller, Matthew D., Leahy, David J., Norton, Bryan J., Johanson, ric, Mullen, Emma R., Marvit, Maclen, Makagon, Arty

“…Small, flying insects continue to pose great risks to both human health and agricultural production throughout the world, so there remains a compelling need to…”
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The PMI Predictor app to enable green-by-design chemical synthesis by Borovika, Alina, Albrecht, Jacob, Li, Jun, Wells, Andrew S., Briddell, Christiana, Dillon, Barry R., Diorazio, Louis J., Gage, James R., Gallou, Fabrice, Koenig, Stefan G., Kopach, Michael E., Leahy, David K., Martinez, Isamir, Olbrich, Martin, Piper, Jared L., Roschangar, Frank, Sherer, Edward C., Eastgate, Martin D.

“…The development of sustainable processes for the synthesis of new clinical candidates is a priority for every pharmaceutical company. The ultimate efficiency…”
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Preparation of Phosphonooxymethyl Prodrugs of HIV‑1 Attachment Inhibitors by Leahy, David K, Pack, Shawn K

“…A practical and scalable synthesis of phosphonooxymethyl prodrugs of HIV-1 attachment inhibitors is described. Starting from azaindoles 1 and 2, this two-step…”
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Integrating in vitro ADMET data through generic physiologically based pharmacokinetic models by Leahy, David E

“…Early estimation of kinetics in man currently relies on extrapolation from experimental data generated in animals. Recent results from the application of a…”
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Development of a scalable palladium-catalyzed α-arylation process for the synthesis of a CGRP antagonist by Desai, Lopa V., Hay, Michael B., Leahy, David K., Wei, Carolyn, Fanfair, Dayne, Rosner, Thorsten, Hsiao, Yi

“…The Pd-catalyzed α-arylation of cycloheptapyridyl ketone is a key complexity-building step in the synthesis of BMS-846372, a CGRP antagonist. A…”
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