Zobrazeno 1 - 10
of 54
pro vyhledávání: '"Andrew S, Paluch"'
Publikováno v:
ChemEngineering, Vol 8, Iss 5, p 104 (2024)
Aging is a natural process that is also influenced by some factors like the food someone eats, lifestyle decisions, and impacts on general health. Despite the recognized role of nutrition in modulating the molecular and cellular mechanisms underlying
Externí odkaz:
https://doaj.org/article/cc3b57a81fdf4b2e85181a99721f11dc
Autor:
Jason E. Thompson, Andrew S. Paluch
Publikováno v:
Thermo, Vol 3, Iss 3, Pp 412-423 (2023)
In general, for an organic compound a plot of the log vapor pressure versus inverse temperature is linear over a wide temperature range. This however can lead to a point of confusion in an undergraduate thermodynamics course. This linear behavior is
Externí odkaz:
https://doaj.org/article/23f0dd769b08446baf60a82772428f98
Publikováno v:
Journal of Ionic Liquids, Vol 3, Iss 2, Pp 100071- (2023)
The sulfur compounds in diesel fuel produce harmful environmental pollutants during combustion. Hydrodesulfurization (HDS) is the most common technique to reduce the sulfur content of diesel fuel but cannot effectively remove aromatic sulfur compound
Externí odkaz:
https://doaj.org/article/d56c3b90147a49788c43b807e742637c
Publikováno v:
ACS Omega, Vol 5, Iss 8, Pp 3863-3877 (2020)
Externí odkaz:
https://doaj.org/article/7418c5d6b4cd4939a1337c939c4ae9de
Publikováno v:
ChemEngineering, Vol 7, Iss 2, p 25 (2023)
Tools to predict vapor–liquid phase equilibria are indispensable for the conceptualization and design of separation processes. Modified separation of cohesive energy density (MOSCED) is a solubility-parameter-based method parameterized to make accu
Externí odkaz:
https://doaj.org/article/41f98deab65c4372acef4e9caa9c6443
Publikováno v:
Journal of Computer-Aided Molecular Design. 36:687-705
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::219361713080d17fe4d1a8a4b1cb2d79
https://doi.org/10.1007/s10822-022-00474-1
https://doi.org/10.1007/s10822-022-00474-1
Autor:
Osmair Vital de Oliveira, Maria Cristina Andreazza Costa, Ricardo Marques da Costa, Rafael Giordano Viegas, Andrew S. Paluch, Márcia Miguel Castro Ferreira
Publikováno v:
Journal of Biomolecular Structure and Dynamics. 41:1603-1616
COVID-19, a disease caused by the SARS-CoV-2 virus, is responsible for a pandemic since March 2020 and it has no cure. Therefore, herein, different theoretical methods were used to obtain potential candidates from herbal compounds to inhibit the SARS
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d7d80febbdc21f3cadaff408538c854
https://doi.org/10.1080/07391102.2021.2023646
https://doi.org/10.1080/07391102.2021.2023646
Autor:
Andrew S. Paluch, Spencer J. Sabatino
Publikováno v:
Journal of Computer-Aided Molecular Design. 35:1009-1024
Blind predictions of octanol/water partition coefficients at 298.15 K for 22 drug-like compounds were made for the SAMPL7 challenge. The octanol/water partition coefficients were predicted using solvation free energies computed using molecular dynami
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::19c94158d666a85172ffcc1d90f47407
https://doi.org/10.1007/s10822-021-00415-4
https://doi.org/10.1007/s10822-021-00415-4
Publikováno v:
Journal of Biomolecular Structure & Dynamics
Journal of Biomolecular Structure and Dynamics
Journal of Biomolecular Structure and Dynamics
Herein, molecular modeling techniques were used with the main goal to obtain candidates from a drug database as potential targets to be used against SARS-CoV-2. This novel coronavirus, responsible by the COVID-19 outbreak since the end of 2019, becam
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::730e1fed8bbae7b00569ceb27d93f5f1
http://europepmc.org/articles/PMC7284156
http://europepmc.org/articles/PMC7284156
Publikováno v:
ACS Omega, Vol 5, Iss 8, Pp 3863-3877 (2020)
ACS Omega
ACS Omega
MOSCED (modified separation of cohesive energy density) is a solubility parameter method that offers an improved treatment of association interactions. Solubility parameter methods are well known for their ability to both make quantitative prediction
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d57348dbd45337008ec76ca6043e30b
https://doaj.org/article/7418c5d6b4cd4939a1337c939c4ae9de
https://doaj.org/article/7418c5d6b4cd4939a1337c939c4ae9de