Zobrazeno 1 - 10
of 47
pro vyhledávání: '"Markus Doerr"'
Publikováno v:
ACS Omega, Vol 6, Iss 32, Pp 20992-21004 (2021)
Externí odkaz:
https://doaj.org/article/a63606dc0a6244edb13b603e98196965
Autor:
Martha Cecilia Daza Espinosa, Diana Marcela Hernández, Angela Susana Rodriguez-Serrano, Markus Doerr
Publikováno v:
Revista Colombiana de Química, Vol 47, Iss 1, Pp 64-76 (2018)
The vertical electronic spectrum of oxoglaucine by means of a multireference configuration interaction method (DFT/MRCI) was studied. The effect of both methyl and methoxy groups on the geometries and energetic distribution of the low-lying excited s
Externí odkaz:
https://doaj.org/article/7098162608d1485db425791fe7a42f5f
Publikováno v:
Revista Colombiana de Biotecnología, Vol 20, Iss 1, Pp 16-30 (2018)
La lipasa B de Candida antarctica (CalB) se ha utilizado en la acilación quimio- y enantioselectiva del racemato (R,S)-propranolol. CalB tiene enantioselectividad moderada (E=63) por el R-propranolol. La enantioselectividad, se origina en la reacci
Externí odkaz:
https://doaj.org/article/02e1ceba19aa4456bfbf2d179d00ee3e
Publikováno v:
Revista Colombiana de Química, Vol 42, Iss 1, Pp 5-12 (2014)
The synthesis and characterization of different N-phenyl-N-(1-phenylhex-5-en-1-yl)acetamides is presented. Two conformational isomers were observed for one of the compounds in their1H/13C-NMR spectra. Computational calculations and dihedral angle com
Externí odkaz:
https://doaj.org/article/c0fe4f7cc4a14b6e8fc7f41947f3e2e4
Publikováno v:
Revista Colombiana de Química, Vol 41, Iss 3, Pp 409-432 (2014)
We studied the bis-allylic proton transferreaction from 1,4-pentadiene to superoxideradical anion (O2·־). Minima andtransition state geometries, as well asthermochemical parameters were computedat the B3LYP/6-311+G(3df,2p)level of theory. The elect
Externí odkaz:
https://doaj.org/article/34a3cbf0c36d4e488a0b0d7fc142769c
Publikováno v:
Analytical methods : advancing methods and applications. 14(31)
Racemic mixtures of twelve common a-amino acids and three chiral drugs were tested for the separation of their enantiomers by ion mobility spectrometry (IMS)-quadrupole mass spectrometry (MS). Separations were tested by introducing chiral selectors i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad1c212a0eced1639648db943c9ab713
https://pubmed.ncbi.nlm.nih.gov/35916141
https://pubmed.ncbi.nlm.nih.gov/35916141
Publikováno v:
Chemistry and Physics of Lipids. 250:105259
In some dermal diseases with evident skin dehydration and desquamation, the natural ratio of CER[NP]:CER[AP] is altered in the extracellular matrix of the stratum corneum by increasing the concentration of CER[AP]. The extracellular matrix of the str
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::52bb1c54348f839ea3480d86405cdc3e
https://doi.org/10.1016/j.chemphyslip.2022.105259
https://doi.org/10.1016/j.chemphyslip.2022.105259
Publikováno v:
Journal of molecular modeling. 27(7)
The selective N-acylation of 1,2-amino alcohols has been proposed to occur through the proton shuttle mechanism. However, the O-acetylation of propranolol catalyzed by Candida antarctica lipase B is an exception. We investigated the relation between
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eafc683a3ed5be2957416dacbdab58fc
https://pubmed.ncbi.nlm.nih.gov/34115202
https://pubmed.ncbi.nlm.nih.gov/34115202
Publikováno v:
Anais do VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular.
We employed a computational modeling approach to study the Michaelis complexes of (R)- and (S)-propranolol with serine-acylated Candida antarctica lipase B using four acyl groups: ethanoyl, butanoyl, octanoyl and hexadecanoyl. Our methodology involve
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7fb99030d83334e04d7cc248360da17c
https://doi.org/10.21826/viiiseedmol2020130
https://doi.org/10.21826/viiiseedmol2020130
Publikováno v:
Revista Colombiana de Química, Volume: 47, Issue: 1, Pages: 64-76, Published: APR 2018
Resumen Se investigó el espectro electrónico vertical de la oxoglaucina utilizando el método de interacción de configuraciones multi-referencial (DFT/MRCI). Se analizó el efecto de los grupos metilo y metoxilo sobre la geometría y la distribuci
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6bf7f14d78fcb802037e07b352c21e44
https://doi.org/10.15446/rev.colomb.quim.v47n1.62419
https://doi.org/10.15446/rev.colomb.quim.v47n1.62419