Theoretical studies and spectroscopic characterization of novel 4-methyl-5-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)benzene-1,2-diol

2016 ◽  
Vol 1119 ◽  
pp. 18-24 ◽  
Author(s):  
Somayeh Soleimani Amiri ◽  
Somayeh Makarem ◽  
Hamid Ahmar ◽  
Samaneh Ashenagar
Keyword(s):  
Spectroscopic Characterization ◽  
Theoretical Studies

Theoretical and Spectroscopic Characterization of API-Related Azoles in Solution and in Solid State

2020 ◽  
Vol 26 (38) ◽  
pp. 4847-4857
Author(s):  
Marta Marín-Luna ◽  
Rosa M. Claramunt ◽  
José Elguero ◽  
Ibon Alkorta
Keyword(s):  
Solid State ◽  
Crystal Packing ◽  
Chemical Properties ◽  
Spectroscopic Characterization ◽  
Complete Characterization ◽  
Theoretical Studies ◽  
Physical And Chemical Properties ◽  
Physical And Chemical ◽  
And Chemical Properties

Azoles are a family of five-membered azacyclic compounds with relevant biological and pharmacological activity. Different subclasses of azoles are defined depending on the atomic arrangement and the number of nitrogen atoms present in the ring: pyrazoles, indazoles, imidazoles, benzimidazoles, triazoles, benzotriazoles, tetrazoles and pentazoles. The complete characterization of their structure and the knowledge about their crystal packing and physical and chemical properties are of vital importance for the advancement in the design of new azole-containing drugs. In this review, we report the latest recent contributions to azole chemistry, in particular, those in which theoretical studies have been performed.

Spectroscopic Characterization of Bacteriorhodopsin's L-intermediate in 3D Crystals Cooled to 170 K¶

2001 ◽  
Vol 74 (6) ◽  
pp. 794 ◽  
Author(s):  
Antoine Royant ◽  
Karl Edman ◽  
Thomas Ursby ◽  
Eva Pebay-Peyroula ◽  
Ehud. M. Landau ◽  
...  
Keyword(s):  
Spectroscopic Characterization
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