Results 1 to 10 of about 750,316 (378)

Two-Dimensional Spectroscopy of Extended Molecular Systems: Applications to Energy Transport and Relaxation in an α-Helix [PDF]

, 2010
A simulation study of the coupled dynamics of amide I and amide II vibrations in an α-helix dissolved in water shows that two-dimensional (2D) infrared spectroscopy may be used to disentangle the energy transport along the helix through each of these ...
Backus E. H. G., Bloem R., Botan V., Brixner T., Cheng Y. C., Cho M., Davydov A. S., DeFlores L. P., DeFlores L. P., Didraga C., Dijkstra A. G., Fecko C. J., Fujisaki H., Gorbunov R. D., Ham S., Ham S., Hamm P., Hamm P., Hayashi T., Jansen T. l. C., Jansen T. l. C., Jansen T. l. C., Jansen T. l. C., Kurochkin D. V., Miyazawa T., Mukamel S., Nemeth A., Paarmann A., Schmidt J. R., Sundström V., Torii H., Woutersen S., Xu X. C., Zanni M. T., Zhang Y., Zigmantas D.   +35 more
core   +24 more sources

New Deoxycholic Acid Derived Tyrosyl-DNA Phosphodiesterase 1 Inhibitors Also Inhibit Tyrosyl-DNA Phosphodiesterase 2

Molecules, 2021
A series of deoxycholic acid (DCA) amides containing benzyl ether groups on the steroid core were tested against the tyrosyl-DNA phosphodiesterase 1 (TDP1) and 2 (TDP2) enzymes.
Oksana V. Salomatina, Nadezhda S. Dyrkheeva, Irina I. Popadyuk, Alexandra L. Zakharenko, Ekaterina S. Ilina, Nina I. Komarova, Jóhannes Reynisson, Nariman F. Salakhutdinov, Olga I. Lavrik, Konstantin P. Volcho   +9 more
doaj   +1 more source

Amide-to-ester substitution as a stable alternative to N-methylation for increasing membrane permeability in cyclic peptides

Nature Communications, 2023
Naturally occurring peptides with high membrane permeability often have ester bonds on their backbones. However, the impact of amide-to-ester substitutions on the membrane permeability of peptides has not been directly evaluated.
Yuki Hosono, S. Uchida, Moe Shinkai, Chad E. Townsend, Colin N. Kelly, Matthew R. Naylor, Hsiau-Wei Lee, Kayoko Kanamitsu, Mayumi Ishii, Ryosuke Ueki, Takumi Ueda, Koh Takeuchi, Masatake Sugita, Yutaka Akiyama, Scott Lokey, J. Morimoto, S. Sando   +16 more
semanticscholar   +1 more source

Design, Synthesis, and Bioactivities of Novel Trifluoromethyl Pyrimidine Derivatives Bearing an Amide Moiety

Frontiers in Chemistry, 2022
Twenty-three novel trifluoromethyl pyrimidine derivatives containing an amide moiety were designed and synthesized through four-step reactions and evaluated for their antifungal, insecticidal, and anticancer properties.
Wenjun Lan, Xuemei Tang, Jia Yu, Qiang Fei, Wenneng Wu, Pei Li, Heng Luo   +6 more
doaj   +1 more source

Safe and Stable Lithium Metal Batteries Enabled by an Amide-Based Electrolyte

Nano-Micro Letters, 2022
Highlights A novel amide-based nonflammable electrolyte is proposed. The formation mechanism and solvation chemistry are investigated by molecular dynamics simulations and density functional theory.
Wanbao Wu, Yiyang Bo, Deping Li, Yihong Liang, Jichuan Zhang, Miaomiao Cao, Ruitian Guo, Zhenye Zhu, L. Ci, Mingyu Li, Jiaheng Zhang   +10 more
semanticscholar   +1 more source

Merging enzymes with chemocatalysis for amide bond synthesis

Nature Communications, 2022
Amides are one of the most fundamental chemical bonds in nature. In addition to proteins and other metabolites, many valuable synthetic products comprise amide bonds. Despite this, there is a need for more sustainable amide synthesis.
Luis Bering, Elliott J. Craven, Stanley A. Sowerby Thomas, S. A. Shepherd, Jason Micklefield   +4 more
semanticscholar   +1 more source

DFT-Calculated IR Spectrum Amide I, II, and III Band Contributions of N-Methylacetamide Fine Components

ACS Omega, 2020
The infrared spectrum (IR) characteristic peaks of amide I, amide II, and amide III bands are marked as amide or peptide characteristic peaks. Through the nuclear magnetic resonance study, N-methylacetamide has been determined to have six fine components,
Yan Ji, Xiaoliang Yang, Zhi Ji, Linhui Zhu, N. Ma, Dejun Chen, Xianbin Jia, Jun-ming Tang, Yilin Cao   +8 more
semanticscholar   +1 more source

Broadband Multidimensional Spectroscopy Identifies the Amide II Vibrations in Silkworm Films

Molecules, 2022
We used two-dimensional infrared spectroscopy to disentangle the broad infrared band in the amide II vibrational regions of Bombyx mori native silk films, identifying the single amide II modes and correlating them to specific secondary structure. Amide I
A. Chatterley, P. Laity, C. Holland, T. Weidner, S. Woutersen, G. Giubertoni   +5 more
semanticscholar   +1 more source

Amide nitrogen pyramidalization changes lactam amide spinning [PDF]

Nature Communications, 2019
AbstractAlthough cis-trans lactam amide rotation is fundamentally important, it has been little studied, except for a report on peptide-based lactams. Here, we find a consistent relationship between the lactam amide cis/trans ratios and the rotation rates between the trans and cis lactam amides upon the lactam chain length of the stapling side-chain of
Yuko Otani, Xin Liu, Hisashi Ohno, Siyuan Wang, Luhan Zhai, Aoze Su, Masatoshi Kawahata, Kentaro Yamaguchi, Tomohiko Ohwada   +8 more
openaire   +3 more sources

Amide Bond Bioisosteres: Strategies, Synthesis and Successes.

Journal of Medicinal Chemistry, 2020
The amide functional group plays a key role in the composition of biomolecules, including many clinically approved drugs. Bioisosterism is widely employed in the rational modification of lead compounds; being used to increase potency, enhance selectivity,
Shikha Kumari, Angelica V Carmona, A. Tiwari, P. Trippier   +3 more
semanticscholar   +1 more source