Results 21 to 30 of about 120,862 (337)

Optimized intermolecular potential for nitriles based on Anisotropic United Atoms model [PDF]

, 2008
An extension of the Anisotropic United Atoms intermolecular potential model is proposed for nitriles. The electrostatic part of the intermolecular potential is calculated using atomic charges obtained by a simple Mulliken population analysis.
A St-Amant, AHN Mousa, AZ Francesconi, AZ Panagiotopoulos, AZ Panagiotopoulos, AZ Panagiotopoulos, B Smit, Claude Mijoule, Corinne Lacaze-Dufaure, DA Kofke, E Bourasseau, E Bourasseau, E Bourasseau, E Goldstein, F Case, H Kratzke, HJ Bohm, HJ Bohm, HK Hansen, HL Williams, JJ Pablo De, JM Prausnitz, JP Perdew, JP Perdew, JP Perdew, JR Errington, M Hloucha, M Hloucha, MG Ahunbay, MG Martin, Mohamed Kamel Hadj-Kali, N Panagiotopoulos AZ Quirke, P Ungerer, Philippe Ungerer, R Bukowski, R Gani, S Horstmann, S Kranias, S Toxvaerd, S Toxvaerd, SH Vosko, SK Nath, Vincent Gerbaud, WJ Warowny, WL Jorgensen, WL Jorgensen, Xavier Joulia   +46 more
core   +3 more sources

7-Bromo-1-methyl-2-phenyl-1H-indole-3-carbonitrile

Molbank, 2017
The title compound was prepared by electrophilic aromatic substitution of 7-bromo-1-methyl-2-phenyl-1H-indole with NCTS (N-cyano-N-phenyl-p-toluenesulfonamide).
Rosanna Meine, Max Blech, Jens Lindhof, Conrad Kunick   +3 more
doaj   +1 more source

Crystal structure of trans-dichloridobis[N-(5,5-dimethyl-4,5-dihydro-3H-pyrrol-2-yl-κN)acetamide]palladium(II) dihydrate

Acta Crystallographica Section E: Crystallographic Communications, 2017
The title complex, [PdCl2(C8H14N2O)2]·2H2O, was obtained by N–O bond cleavage of the oxadiazoline rings of the trans-[dichlorido-bis(2,5,5-trimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-b][1,2,4]oxadiazole-N1)]palladium(II) complex.
Jamal Lasri, Naser Eltaher Eltayeb, Matti Haukka, Bandar A. Babgi   +3 more
doaj   +1 more source

The Active Site Sulfenic Acid Ligand in Nitrile Hydratases Can Function as a Nucleophile [PDF]

, 2014
Nitrile hydratase (NHase) catalyzes the hydration of nitriles to their corresponding commercially valuable amides at ambient temperatures and physiological pH.
Holz, Richard C., Liu, Dali, Martinez, Salette, Sanishvili, Ruslan, Wu, Rui   +4 more
core   +3 more sources

Crystal structure of 2,3,5,6-tetrabromoterephthalonitrile

Acta Crystallographica Section E: Crystallographic Communications, 2019
The title crystal (systematic name: 2,3,5,6-tetrabromobenzene-1,4-dicarbonitrile), C8Br4N2, is the first bromo analog in a study of cyano-halo (C[triple-bond]N...X) non-bonded contacts in crystals of halogenated dicyanobenzenes.
Wayland E. Noland, Andrew K. Schneerer, Emilie J. Raberge, Kenneth J. Tritch   +3 more
doaj   +1 more source

Covalent Reversible Inhibitors of Cysteine Proteases Containing the Nitrile Warhead: Recent Advancement in the Field of Viral and Parasitic Diseases

Molecules, 2022
In the field of drug discovery, the nitrile group is well represented among drugs and biologically active compounds. It can form both non-covalent and covalent interactions with diverse biological targets, and it is amenable as an electrophilic warhead ...
Simone Brogi, Roberta Ibba, Sara Rossi, Stefania Butini, Vincenzo Calderone, Sandra Gemma, Giuseppe Campiani   +6 more
doaj   +1 more source

Direct Regioselective C-H Cyanation of Purines

Molecules, 2023
A direct regioselective C-H cyanation of purines was developed through a sequential triflic anhydride activation, nucleophilic cyanation with TMSCN, followed by a process of base-mediated elimination of triflous acid (CF3SO2H).
Luyong Li, Jie Hu, Yuqing Fu, Xiaolin Shi, Hongguang Du, Jiaxi Xu, Ning Chen   +6 more
doaj   +1 more source

Synthesis of Simplified Azasordarin Analogs as Potential Antifungal Agents [PDF]

, 2019
A new series of simplified azasordarin analogs was synthesized using as key steps a Diels–Alder reaction to generate a highly substituted bicyclo[2.2.1]heptane core, followed by a subsequent nitrile alkylation.
Dockendorff, Chris, Wu, Yibiao
core   +4 more sources

Photoprotective Properties of Isothiocyanate and Nitrile Glucosinolate Derivatives From Meadowfoam (Limnanthes alba) Against UVB Irradiation in Human Skin Equivalent

Frontiers in Pharmacology, 2018
Exposure to ultraviolet B (UVB) irradiation of the skin leads to numerous dermatological concerns including skin cancer and accelerated aging. Natural product glucosinolate derivatives, like sulforaphane, have been shown to exhibit chemopreventive and ...
Evan L. Carpenter, Mai N. Le, Cristobal L. Miranda, Ralph L. Reed, Jan F. Stevens, Jan F. Stevens, Jan F. Stevens, Arup K. Indra, Arup K. Indra, Arup K. Indra, Arup K. Indra, Arup K. Indra, Gitali Ganguli-Indra, Gitali Ganguli-Indra, Gitali Ganguli-Indra   +14 more
doaj   +1 more source

Hyperpolarization of Nitrile Compounds Using Signal Amplification by Reversible Exchange

Molecules, 2020
Signal Amplification by Reversible Exchange (SABRE), a hyperpolarization technique, has been harnessed as a powerful tool to achieve useful hyperpolarized materials by polarization transfer from parahydrogen.
Sarah Kim, Sein Min, Heelim Chae, Hye Jin Jeong, Sung Keon Namgoong, Sangwon Oh, Keunhong Jeong   +6 more
doaj   +1 more source