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Infrared and electronic absorption spectra of n-butyronitrile and its ions using Moller Plesset method.
Naganathappa M, Chaudhari A. Naganathappa M, et al. J Mol Model. 2011 Jul;17(7):1695-705. doi: 10.1007/s00894-010-0874-6. Epub 2010 Nov 2. J Mol Model. 2011. PMID: 21042821
We report theoretical infrared and electronic absorption spectra of gauche and anti conformers of n-butyronitrile, their ions and 2-methylpropanenitrile isomer of n-butyronitrile. ...All the electronic transitions of gauche and anti conformers of neutr …
We report theoretical infrared and electronic absorption spectra of gauche and anti conformers of n-butyronitrile, their ions …
Relative developmental toxicities of inhaled aliphatic mononitriles in rats.
Saillenfait AM, Bonnet P, Guenier JP, de Ceaurriz J. Saillenfait AM, et al. Fundam Appl Toxicol. 1993 Apr;20(3):365-75. doi: 10.1006/faat.1993.1047. Fundam Appl Toxicol. 1993. PMID: 8504911
The range of exposure concentrations for acetonitrile was 900 to 1800 ppm; for propionitrile and n-butyronitrile, 50 to 200 ppm; for isobutyronitrile, 50 to 300 ppm; for acrylonitrile and methacrylonitrile, 12 to 100 ppm; for allylnitrile 12 to 50 ppm; and for 2-chl …
The range of exposure concentrations for acetonitrile was 900 to 1800 ppm; for propionitrile and n-butyronitrile, 50 to 200 pp …
Novel piperidinium-based ionic liquid as electrolyte additive for high voltage lithium-ion batteries.
Zhang W, Ma Q, Liu X, Yang S, Yu F. Zhang W, et al. RSC Adv. 2021 Apr 22;11(25):15091-15098. doi: 10.1039/d1ra01454d. eCollection 2021 Apr 21. RSC Adv. 2021. PMID: 35424023 Free PMC article.
Li/Li(+)), which leads to the bad oxidation stability and inferior cycling performance of lithium ion batteries (LIBs). To solve these problems, a novel ionic liquid (IL) N-butyronitrile-N-methylpiperidinium bis(fluorosulfonyl)imide (PP(1,CN)FSI) was synthesized and …
Li/Li(+)), which leads to the bad oxidation stability and inferior cycling performance of lithium ion batteries (LIBs). To solve these probl …
Inhalation toxicology of acute exposure to aliphatic nitriles.
Willhite CC. Willhite CC. Clin Toxicol. 1981 Aug;18(8):991-1003. doi: 10.3109/15563658108990329. Clin Toxicol. 1981. PMID: 7318385
Male CD-1 mice were exposed for 60 min to toxic concentrations of acetonitrile, propionitrile, or n-butyronitrile and were maintained for the following 14 d. The LC50 values for acetonitrile, propionitrile, and n-butyronitrile were 2,693, 163, and 249 …
Male CD-1 mice were exposed for 60 min to toxic concentrations of acetonitrile, propionitrile, or n-butyronitrile and were mai …
Solvent and Temperature Effects on Photoinduced Proton-Coupled Electron Transfer in the Marcus Inverted Region.
Cotter LF, Rimgard BP, Parada GA, Mayer JM, Hammarström L. Cotter LF, et al. J Phys Chem A. 2021 Sep 9;125(35):7670-7684. doi: 10.1021/acs.jpca.1c05764. Epub 2021 Aug 25. J Phys Chem A. 2021. PMID: 34432465 Free PMC article.
Both the CS and CR rate constants increased with increasing polarity in acetonitrile:n-butyronitrile mixtures. The kinetics were semi-quantitatively analyzed where changes in dielectric and refractive index, and thus consequently changes in driving force (-deltaG) a …
Both the CS and CR rate constants increased with increasing polarity in acetonitrile:n-butyronitrile mixtures. The kinetics we …
Pathways for the bioactivation of aliphatic nitriles to free cyanide in mice.
Kaplita PV, Smith RP. Kaplita PV, et al. Toxicol Appl Pharmacol. 1986 Jul;84(3):533-40. doi: 10.1016/0041-008x(86)90258-9. Toxicol Appl Pharmacol. 1986. PMID: 2941899
Reports from several laboratories agree that many, but not all, aliphatic nitriles undergo hepatic biotransformation in mice and rats to release free cyanide, but the mechanisms at work in these reactions remain in doubt. We have used primarily n-butyronitrile, prop …
Reports from several laboratories agree that many, but not all, aliphatic nitriles undergo hepatic biotransformation in mice and rats to rel …
34 results