Zobrazeno 1 - 10
of 43
pro vyhledávání: '"Loredana, Valenzano"'
Autor:
Mingxi Fang, Shuai Xia, Jianheng Bi, Travis P. Wigstrom, Loredana Valenzano, Jianbo Wang, Marina Tanasova, Rudy L. Luck, Haiying Liu
Publikováno v:
Molecules, Vol 24, Iss 8, p 1592 (2019)
Two near-infrared fluorescent probes (A and B) containing hemicyanine structures appended to dipicolylamine (DPA), and a dipicolylamine derivative where one pyridine was substituted with pyrazine, respectively, were synthesized and tested for the ide
Externí odkaz:
https://doaj.org/article/68525e75c9d54cdb870787329bfece85
Among the numerous metal organic framework (MOF) families, of significant importance is the MOF-74-M series (M = metal, -also known as CPO-27-M), characterized by a high density of not fully coordinated open metal site centers; this peculiarity has b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e0a27f1450a2941874517932cd417990
https://doi.org/10.26434/chemrxiv-2022-1zrjl
https://doi.org/10.26434/chemrxiv-2022-1zrjl
The intermolecular interactions of active pharmaceutical ingredients (APIs) are the driving forces of API molecular activity in solid crystal structure and stability, in vivo receptor binding, and in environmental transport and persistence. In API ma
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03850b63b25e7cec757f13da09c4e2bb
Autor:
Mingxi Fang, Wafa Mazi, Haiying Liu, Loredana Valenzano, Jianheng Bi, Travis Wigstrom, Jianbo Wang, Fen-Tair Luo, Marina Tanasova, Shuai Xia
Publikováno v:
Chemical Communications. 54:1133-1136
An aggregation-induced emission (AIE) cyanine-based fluorescent cassette with a large pseudo-Stokes shift was designed and prepared to sensitively image pH changes in live cells via through-bond energy transfer (TBET) from a tetraphenylethene (TPE) d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57f24a89c789340e99357bf703fc08f6
https://doi.org/10.1039/c7cc08986d
https://doi.org/10.1039/c7cc08986d
Autor:
Gemechis D. Degaga, Loredana Valenzano
Publikováno v:
Chemical Physics Letters. 682:168-174
Periodic boundary condition models are used to investigate the interaction of small hydrocarbons (C2-C4) with MOF-74-Mg/Zn. In contrast to other studies where molecular cluster approaches are used, the complete chemical environment of the framework i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::773c1aee6694f7c5205ae38dc44ab40f
https://doi.org/10.1016/j.cplett.2017.05.035
https://doi.org/10.1016/j.cplett.2017.05.035
Autor:
Gemechis D. Degaga, Loredana Valenzano
Publikováno v:
Chemical Physics Letters. 660:313-319
Selective sorption of hydrocarbons by tunable sorbents such as metal-organic frameworks is the most promising alternative to traditional cryogenic distillation. Here, density functional theory is used to investigate the selective sorption of C 2 C 4
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2962144959fff7e36620d0199e47a30
https://doi.org/10.1016/j.cplett.2016.08.049
https://doi.org/10.1016/j.cplett.2016.08.049
Autor:
Gemechis D. Degaga, Loredana Valenzano
Publikováno v:
Theoretical Chemistry Accounts. 137
Periodic boundary conditions as implemented within a linear combination of atomic orbital approach are applied to determine the infrared spectra of methane, acetylene, ethylene, and ethane in MOF-74-Mg. Intensities and frequency shifts with respect t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f57d58e60395d157c748cbb9c587d1e9
https://doi.org/10.1007/s00214-018-2227-y
https://doi.org/10.1007/s00214-018-2227-y
Publikováno v:
The Journal of Physical Chemistry C. 119:25991-25999
Systematic manipulation of the reactivity of silicate materials in aqueous environment remains a challenging topic. Herein, by combining first-principles and reactive molecular dynamics simulations, we present a complete picture of the influence of i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1521dd96f603a4ae8d98144484b67709
https://doi.org/10.1021/acs.jpcc.5b08286
https://doi.org/10.1021/acs.jpcc.5b08286
Publikováno v:
Chemistry of Materials. 27:4731-4741
Mayenite (Ca12Al14O33, C12A7), and its electride variant (C12A7:2e–) have attracted attention as functional materials with high ionic conductivity, and for potential uses in oxidation catalysis, fuel cells, and hydrogen storage. In contrast to anio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9fdb5f8a308d9138a887d52cc67efd1c
https://doi.org/10.1021/acs.chemmater.5b01360
https://doi.org/10.1021/acs.chemmater.5b01360
Publikováno v:
Computational and Theoretical Chemistry. 1062:90-98
A quantum chemical investigation is reported on the changes induced by the application of a hydrostatic pressure up to 5.0 GPa to the polymorphs of paracetamol and aspirin (form I and II). A detailed discussion on the changes in the hydrogen bonds, a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::807d71d9a69db4d3b4467b966e0cb111
https://doi.org/10.1016/j.comptc.2015.03.020
https://doi.org/10.1016/j.comptc.2015.03.020