Intermolecular interactions in highly concentrated protein solutions upon compression and the role of the solvent

2014 ◽  
Vol 141 (22) ◽  
pp. 22D506 ◽  
Author(s):  
S. Grobelny ◽  
M. Erlkamp ◽  
J. Möller ◽  
M. Tolan ◽  
R. Winter
Keyword(s):  
Intermolecular Interactions ◽  
Protein Solutions

scholarly journals Intermolecular Interactions in Highly Concentrated Protein Solutions Upon Compression and the Role of the Solvent

2015 ◽  
Vol 108 (2) ◽  
pp. 517a-518a
Author(s):  
Sebastian Grobelny ◽  
Mirko Erlkamp ◽  
Johannes Möller ◽  
Metin Tolan ◽  
Roland Winter
Keyword(s):  
Intermolecular Interactions ◽  
Protein Solutions

The Role of Intermolecular Interactions in Polyurethane Formation

2020 ◽  
pp. 129-138
Author(s):  
Elena V. Stovbun ◽  
Vera P. Lodygina ◽  
Elmira R. Badamshina ◽  
Valentina A. Grigor’eva ◽  
Irina V. Doronina ◽  
...  
Keyword(s):  
Intermolecular Interactions

Unconditionally stable indole-derived glass blends having very high photorefractive gain: the role of intermolecular interactions

2008 ◽  
Vol 47 (36) ◽  
pp. 6680 ◽  
Author(s):  
Rocco Angelone ◽  
Francesco Ciardelli ◽  
Arturo Colligiani ◽  
Francesco Greco ◽  
Paolo Masi ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Unconditionally Stable ◽  
Very High

Role of Intermolecular Interactions in the Excited-State Photophysics of Tetracene and 2,2′-Ditetracene

2020 ◽  
Vol 124 (36) ◽  
pp. 19435-19446 ◽  
Author(s):  
Ulrich Müller ◽  
Lena Roos ◽  
Maximilian Frank ◽  
Marian Deutsch ◽  
Sebastian Hammer ◽  
...  
Keyword(s):  
Excited State ◽  
Intermolecular Interactions

The role of intermolecular interactions in polyaniline/polyamide-6,6 pressure-sensitive blends studied by DFT and 1H NMR

2016 ◽  
Vol 85 ◽  
pp. 588-604 ◽  
Author(s):  
Eluise S. Lopes ◽  
Eloílson Domingos ◽  
Rodrigo S. Neves ◽  
Wanderson Romão ◽  
Kátia R. de Souza ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
1H Nmr ◽  
Pressure Sensitive

Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives

2018 ◽  
Vol 74 (7) ◽  
pp. 830-838
Author(s):  
Gayathri Purushothaman ◽  
Vijay Thiruvenkatam
Keyword(s):  
Intermolecular Interactions ◽  
Acetylcholinesterase Inhibitors ◽  
Lattice Energy ◽  
Boat Conformation ◽  
Qualitative And Quantitative Analysis ◽  
Structural Conformation ◽  
Hirshfeld Analysis ◽  
Conformational Geometry ◽  
Twisted Boat

The existence of intermolecular interactions and the conformational geometry adopted by molecules are related to biological activity. Xanthenedione molecules are promising and emerging antioxidants and acetylcholinesterase inhibitors. To examine the role of different functional groups involved in the intermolecular interactions and conformational geometries adopted in xanthenediones, a series of three substituted xanthenediones have been crystallized [9-(3-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C23H26O4, 9-(5-bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2H-xanthene-1,8(5H,9H)-dione, C24H27BrO4, and 3,3,6,6-tetramethyl-9-(pyridin-2-yl)-3,4,6,7-tetrahydro-2H-xanthene-1,8(5H,9H)-dione, C22H25NO3] and their intermolecular interactions analyzedviaHirshfeld analysis. The results show that all the derivatives adopt the same structural conformation, where the central ring has a shallow boat conformation and the outer rings have a twisted boat conformation. The intermolecular interactions in the molecules are predominantly O—H...O, C—H...O and π–π interactions. The optimized structures of the derivatives from theoretical B3LYP/6-311G** calculations show a good correlation with the experimental structures. The lattice energy involved in the intermolecular interactions has been explored usingPIXELC.

Role of intermolecular interactions in formation of mono- and diaminopyridine crystals: study from the energetic viewpoint

2020 ◽  
Vol 32 (1) ◽  
pp. 235-257
Author(s):  
Irina S. Konovalova ◽  
Ekaterina N. Muzyka ◽  
Victoriya V. Urzhuntseva ◽  
Svitlana V. Shishkina
Keyword(s):  
Intermolecular Interactions
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