Second generation of Casiopeinas®: A joint experimental and theoretical study
Sign Up to like & getrecommendations! Published in 2021 at "Inorganica Chimica Acta"
DOI: 10.1016/j.ica.2020.120201
Abstract: Abstract Herein, we present the synthesis, characterization, DFT calculations and in vitro evaluation of antiproliferative activity against HeLa and MCF-7 cancer tumor cell lines of three novel second generation Casiopeinas® complexes. These compounds are characterized… read more here.
Keywords: joint experimental; geometry; generation casiopeinas; experimental theoretical ... See more keywords
Reactivity of Perhalogenated Octahedral Phospha- and Arsaboranes toward THF: A Joint Experimental/Computational Study.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c00971
Abstract: Reactions of the perhalogenated polyhedral pnictogenaboranes closo-1,2-Pn2B4Hal4 (Pn = P, As; Hal = Cl, Br) with Lewis bases are presently being studied with a focus on rationalizing the sites of nucleophilic attacks on clusters bearing… read more here.
Keywords: experimental computational; closo; joint experimental; perhalogenated octahedral ... See more keywords
Spiropyran/Merocyanine Amphiphile in Various Solvents: A Joint Experimental–Theoretical Approach to Photophysical Properties and Self-Assembly
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms231911535
Abstract: This joint experimental-theoretical work focuses on molecular and photophysical properties of the spiropyran-containing amphiphilic molecule in organic and aqueous solutions. Being dissolved in tested organic solvents, the system demonstrates positive photochromism, i.e., upon UV stimulus… read more here.
Keywords: photophysical properties; joint experimental; experimental theoretical; self assembly ... See more keywords