Zobrazeno 1 - 10
of 16
pro vyhledávání: '"María Marta Zanardi"'
Autor:
Ignacio A. Ospital, Mónica A. Táquez Delgado, Melisa B. Nicoud, Michelle F. Corrêa, Gustavo A. Borges Fernandes, Isabela W. Andrade, Paolo Lauretta, Rocío Martínez Vivot, María Betina Comba, María Marta Zanardi, Daniela Speisky, Juan L. Uriburu, João P.S. Fernandes, Vanina A. Medina
Publikováno v:
Biomedicine & Pharmacotherapy, Vol 174, Iss , Pp 116527- (2024)
The aims of this work were to evaluate the expression of histamine H3 receptor (H3R) in triple negative breast cancer (TNBC) samples and to investigate the antitumoral efficacy and safety of the LINS01 series of H3R antagonists, through in silico, in
Externí odkaz:
https://doaj.org/article/c3df1823fe184da5933f3db277afa698
Autor:
Yi-Hsuan Tsai, Milagros Amichetti, María Marta Zanardi, Rafael Grimson, Antonio Hernandez Daranas, Ariel M. Sarotti
Publikováno v:
Organic Letters. 24:7487-7491
A new tool, ML-J-DP4, provides an efficient and accurate method for determining the most likely structure of complex molecules within minutes using standard computational resources. The workflow involves combining fast Karplus-type J calculations wit
The use of quantum-based NMR methods to complement and guide the connectivity and stereochemical assignment of natural and unnatural products has grown enormously. One of the unsolved problems is related to the improper calculation of the conformatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c6921c29c2695682e6a7179ec49614b0
https://doi.org/10.26434/chemrxiv-2023-tkrq3
https://doi.org/10.26434/chemrxiv-2023-tkrq3
Publikováno v:
Organic Letters. 22:3561-3565
Managing and processing hundreds or thousands of files to perform an in silico structural assignment can be tedious work. Recent years have witnessed a booming need for automation to facilitate the task. In this work, we explore the repercussions of
Publikováno v:
Organic Letters. 2019, 22 (1)
Repositorio Institucional (UCA)
Pontificia Universidad Católica Argentina
instacron:UCA
Repositorio Institucional (UCA)
Pontificia Universidad Católica Argentina
instacron:UCA
Fil: Zanardi, María M. Pontificia Universidad Católica Argentina. Facultad de Química e Ingeniería del Rosario; Argentina Fil: Marcarino, Maribel O. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Química Rosario; Arge
Publikováno v:
Natural product reports. 39(1)
Covering: 2015 up to the end of 2020Even in the golden age of NMR, the number of natural products being incorrectly assigned is becoming larger every day. The use of quantum NMR calculations coupled with sophisticated data analysis provides ideal com
Autor:
Ariel M. Sarotti, María Marta Zanardi
Publikováno v:
The Journal of organic chemistry. 86(12)
DP4+ is a popular tool for structural elucidation using GIAO NMR calculations. The method was built with 16 statistical parameters [μ,σ,ν], which depend on the level of theory. Herein, we deeply analyzed the sensitivity of DP4+ when using improper
Publikováno v:
Carbohydrate Research. Vol. 474, 2019
Repositorio Institucional (UCA)
Pontificia Universidad Católica Argentina
instacron:UCA
Repositorio Institucional (UCA)
Pontificia Universidad Católica Argentina
instacron:UCA
Hyacinthacines are important members of the pyrrolizidine family, with several compounds having ambiguous, revised or unverified structures. Herein we thoroughly explored the performance DP4 and DP4+ for the in silico stereoassignment of hyacinthacin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::348001ad172f93c5d0ec23d09f79aee9
https://repositorio.uca.edu.ar/handle/123456789/9025
https://repositorio.uca.edu.ar/handle/123456789/9025
Autor:
Ariel M. Sarotti, María Marta Zanardi
Publikováno v:
The Journal of Organic Chemistry Vol.80, 2015
Repositorio Institucional (UCA)
Pontificia Universidad Católica Argentina
instacron:UCA
Repositorio Institucional (UCA)
Pontificia Universidad Católica Argentina
instacron:UCA
Fil: Zanardi, María M. Pontificia Universidad Católica Argentina. Facultad de Química e Ingeniería “Fray Rogelio Bacón”; Argentina Fil: Zanardi, María M. Consejo Nacional de Investigaciones Científicas y Técnicas de Argentina. Instituto
Publikováno v:
The Journal of Organic Chemistry. 2018;83(19):11839–11849
Repositorio Institucional (UCA)
Pontificia Universidad Católica Argentina
instacron:UCA
Repositorio Institucional (UCA)
Pontificia Universidad Católica Argentina
instacron:UCA
Fil: Zanardi, María Marta. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Área Farmacognosia; Argentina Fil: Zanardi, María Marta. Pontificia Universidad Católica Argentina. Facultad de Química e Ingenier
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f9e8b0788fe9542fda2c918611e507f
https://repositorio.uca.edu.ar/handle/123456789/8669
https://repositorio.uca.edu.ar/handle/123456789/8669