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559 results

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Quoted phrases not found in phrase index: "acetyl methylamine", "N-methylethanamide"
Page 1
Cryoprotectant toxicity neutralization.
Fahy GM. Fahy GM. Cryobiology. 2010 Jul;60(3 Suppl):S45-53. doi: 10.1016/j.cryobiol.2009.05.005. Epub 2009 Jun 6. Cryobiology. 2010. PMID: 19501081
Recent experiments have verified the original 1995 results and extended them to urea and acetamide, but no CTN was detected for N-methylamides (N-methylformamide, N,N-dimethylformamide, and N-methylacetamide). On the theory that the latter amides and acetamide might …
Recent experiments have verified the original 1995 results and extended them to urea and acetamide, but no CTN was detected for N-methylamid …
Δ-Machine Learned Potential Energy Surfaces and Force Fields.
Bowman JM, Qu C, Conte R, Nandi A, Houston PL, Yu Q. Bowman JM, et al. J Chem Theory Comput. 2023 Jan 10;19(1):1-17. doi: 10.1021/acs.jctc.2c01034. Epub 2022 Dec 17. J Chem Theory Comput. 2023. PMID: 36527383 Free article. Review.
This Perspective is focused on a delta-machine learning method that we recently proposed and applied to bring DFT-based PESs to close to CCSD(T) accuracy. This is demonstrated for hydronium, N-methylacetamide, acetyl acetone, and ethanol. For 15-atom tropolone, it a …
This Perspective is focused on a delta-machine learning method that we recently proposed and applied to bring DFT-based PESs to close to CCS …
Hydrophobic Collapse in N-Methylacetamide-Water Mixtures.
Salamatova E, Cunha AV, Bloem E, Roeters SJ, Woutersen S, Jansen TLC, Pshenichnikov MS. Salamatova E, et al. J Phys Chem A. 2018 Mar 8;122(9):2468-2478. doi: 10.1021/acs.jpca.8b00276. Epub 2018 Feb 22. J Phys Chem A. 2018. PMID: 29425450 Free PMC article.
Aqueous N-methylacetamide solutions were investigated by polarization-resolved pump-probe and 2D infrared spectroscopy (2D IR), using the amide I mode as a reporter. The 2D IR results are compared with molecular dynamics simulations and spectral calculations to gain …
Aqueous N-methylacetamide solutions were investigated by polarization-resolved pump-probe and 2D infrared spectroscopy (2D IR) …
Scaffold Effects on Halogen Bonding Strength.
Lange A, Heidrich J, Zimmermann MO, Exner TE, Boeckler FM. Lange A, et al. J Chem Inf Model. 2019 Feb 25;59(2):885-894. doi: 10.1021/acs.jcim.8b00621. Epub 2019 Jan 28. J Chem Inf Model. 2019. PMID: 30629432
As a template interaction partner, we have chosen N-methylacetamide representing the ubiquitously present protein backbone. Adduct formation energies were obtained at a MP2/TZVPP level of theory. ...
As a template interaction partner, we have chosen N-methylacetamide representing the ubiquitously present protein backbone. Ad …
Organocatalytic meta-C-H Hydroxylation of Azaarene N-Oxides.
Li ZC, Tian D, Wang ZQ, Yuan P, Wu H. Li ZC, et al. J Am Chem Soc. 2025 Aug 20;147(33):30050-30059. doi: 10.1021/jacs.5c07423. Epub 2025 Aug 6. J Am Chem Soc. 2025. PMID: 40768672
Specifically, a structurally specific nitrilium ion, formed in situ from the reaction of N-methylacetamide with oxalyl chloride, serves as a highly efficient catalyst, enabling a diverse range of azaarene 1-oxides to undergo a unique stepwise 1,3-oxygen transfer. .. …
Specifically, a structurally specific nitrilium ion, formed in situ from the reaction of N-methylacetamide with oxalyl chlorid …
Synthesis-Free Phase-Selective Gelator for Oil-Spill Remediation.
Cui Y, Li MC, Wu Q, Pojman JA, Kuroda DG. Cui Y, et al. ACS Appl Mater Interfaces. 2017 Oct 4;9(39):33549-33553. doi: 10.1021/acsami.7b10009. Epub 2017 Sep 20. ACS Appl Mater Interfaces. 2017. PMID: 28895716
The newly designed nonionic DES is based on a combination of an amide (N-methylacetamide) and a long chain carboxylic acid (lauric acid) and does not require any synthetic procedure besides mixing. ...
The newly designed nonionic DES is based on a combination of an amide (N-methylacetamide) and a long chain carboxylic acid (la …
N-Methylacetamide Aqueous Solutions: A Neutron Diffraction Study.
Di Gioacchino M, Bruni F, Ricci MA. Di Gioacchino M, et al. J Phys Chem B. 2019 Feb 28;123(8):1808-1814. doi: 10.1021/acs.jpcb.9b00246. Epub 2019 Feb 19. J Phys Chem B. 2019. PMID: 30739453
The hydration of N-methylacetamide (NMA) in solution has been determined by neutron diffraction with isotopic Hydrogen/Deuterium substitution (NDIS), augmented by Monte Carlo simulation. ...
The hydration of N-methylacetamide (NMA) in solution has been determined by neutron diffraction with isotopic Hydrogen/Deuteri …
Tetrel Bonding along the Pathways of Transsilylation and Alkylation of N-Trimethylsilyl- N-methylacetamide with Bifunctional (Chloromethyl)fluorosilanes.
Chipanina NN, Lazareva NF, Oznobikhina LP, Shainyan BA. Chipanina NN, et al. J Phys Chem A. 2019 Jun 20;123(24):5178-5189. doi: 10.1021/acs.jpca.9b03876. Epub 2019 Jun 10. J Phys Chem A. 2019. PMID: 31132278
A quantum chemical study has been carried out on the complexes formed in the first stage of the reaction of (chloromethyl)trifluorosilane with an ambident nucleophile, N-trimethylsilyl- N-methylacetamide, existing in the amide and imidate tautomeric forms. The analy …
A quantum chemical study has been carried out on the complexes formed in the first stage of the reaction of (chloromethyl)trifluorosilane wi …
559 results