CF 2 H as a hydrogen bond donor group for the fine tuning of peptide bond geometry with difluoromethylated pseudoprolines
N Malquin, K Rahgoshay, N Lensen… - Chemical …, 2019 - pubs.rsc.org
CF2H-Pseudoprolines obtained from difluoroacetaldehyde hemiacetal and serine are stable
proline surrogates. The consequence of the incorporation of the CF2H group is an important …
proline surrogates. The consequence of the incorporation of the CF2H group is an important …
Conformers of 1, 2, 3, 4–tetrahydroisoquinoline in S0 and S1: an analysis through potential energy surface, hardness principles and vibrational spectroscopy
S Das, L Das, A Chakraborty - Journal of Molecular Structure, 2020 - Elsevier
Abstract The conformational search for 1, 2, 3, 4-tetrahydroisoquinoline (THIQ) yields a
number of conformers in S 0 and S 1 states. DFT calculations with different functionals along …
number of conformers in S 0 and S 1 states. DFT calculations with different functionals along …
Enantiopure 5-CF3–Proline: Synthesis, Incorporation in Peptides, and Tuning of the Peptide Bond Geometry
CA Sanchez, C Gadais, G Chaume, S Girard… - Organic …, 2020 - ACS Publications
The straightforward synthesis of enantiopure 5-(R)-and 5-(S)-trifluoromethylproline is
reported. The key steps are a Ruppert-Prakash reagent addition on l-pyroglutamic esters …
reported. The key steps are a Ruppert-Prakash reagent addition on l-pyroglutamic esters …
Which DFT levels of theory are appropriate in predicting the prolyl cis–trans isomerization in solution?
HS Park, YK Kang - New Journal of Chemistry, 2019 - pubs.rsc.org
The performances of the M06-2X and ωB97X-D functionals with various basis sets as well
as the double-hybrid DSD-PBEP86-D3BJ/cc-pVTZ level of theory with the implicit PCM and …
as the double-hybrid DSD-PBEP86-D3BJ/cc-pVTZ level of theory with the implicit PCM and …
Investigating the conformers of 1, 2, 3, 4-tetrahydroquinoxaline: A combined theoretical and experimental investigation through potential energy surface studies, FT-IR …
A Chakraborty, L Das - Journal of Molecular Structure, 2020 - Elsevier
Abstract 1, 2, 3, 4-tetrahydroquinoxaline (THQX) show two inequivalent conformers at
various levels of quantum chemical computations along with the variation of basis sets in S 0 …
various levels of quantum chemical computations along with the variation of basis sets in S 0 …
Lokalisering av (R)-artikain i et lipidbilag
AV Lande - 2020 - bora.uib.no
Hensikten med denne oppgaven var å undersøke interaksjonen mellom (R)-artikain og
lipidbilag av POPC ved bruk av fast-fase NMR-spektroskopi. Artikain hydroklorid brukes som …
lipidbilag av POPC ved bruk av fast-fase NMR-spektroskopi. Artikain hydroklorid brukes som …