scholarly journals Structural, mechanical, spectroscopic and thermodynamic characterization of the copper-uranyl tetrahydroxide mineral vandenbrandeite

RSC Advances ◽  
2019 ◽  
Vol 9 (69) ◽  
pp. 40708-40726 ◽  
Author(s):  
Francisco Colmenero ◽  
Jakub Plášil ◽  
Joaquín Cobos ◽  
Jiří Sejkora ◽  
Vicente Timón ◽  
...  
Keyword(s):  
Crystal Structure ◽  
First Principles ◽  
Thermodynamic Characterization ◽  
First Time

The experimental full crystal structure of vandenbrandeite is stablished for the first time and verified using first-principles methods. A detailed mechanical, spectroscopic and thermodynamic characterization is obtained from the optimized structure.

Crystal structures of a β-trefoil lectin from Entamoeba histolytica in monomeric and a novel disulfide bond-mediated dimeric forms

Glycobiology ◽  
2020 ◽  
Vol 30 (7) ◽  
pp. 474-488 ◽  
Author(s):  
Farha Khan ◽  
Devanshu Kurre ◽  
K Suguna
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Entamoeba Histolytica ◽  
Disulfide Bond ◽  
Structural Basis ◽  
Free Form ◽  
Biophysical Characterization ◽  
Biophysical Studies ◽  
First Time

Abstract β-Trefoil lectins are galactose/N-acetyl galactosamine specific lectins, which are widely distributed across all kingdoms of life and are known to perform several important functions. However, there is no report available on the characterization of these lectins from protozoans. We have performed structural and biophysical studies on a β-trefoil lectin from Entamoeba histolytica (EntTref), which exists as a mixture of monomers and dimers in solution. Further, we have determined the affinities of EntTref for rhamnose, galactose and different galactose-linked sugars. We obtained the crystal structure of EntTref in a sugar-free form (EntTref_apo) and a rhamnose-bound form (EntTref_rham). A novel Cys residue-mediated dimerization was revealed in the crystal structure of EntTref_apo while the structure of EntTref_rham provided the structural basis for the recognition of rhamnose by a β-trefoil lectin for the first time. To the best of our knowledge, this is the only report of the structural, functional and biophysical characterization of a β-trefoil lectin from a protozoan source and the first report of Cys-mediated dimerization in this class of lectins.

scholarly journals Crystal structure and Hirshfeld surface analysis of lapachol acetate 80 years after its first synthesis

2019 ◽  
Vol 75 (9) ◽  
pp. 1362-1366
Author(s):  
Miguel A. Martínez-Cabrera ◽  
Mario A. Macías ◽  
Francisco Ferreira ◽  
Enrique Pandolfi ◽  
Javier Barúa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Molecular Conformation ◽  
Spectroscopic Characterization ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
High Yield ◽  
First Time

Lapachol acetate [systematic name: 3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl acetate], C17H16O4, was prepared using a modified high-yield procedure and its crystal structure is reported for the first time 80 years after its first synthesis. The full spectroscopic characterization of the molecule is reported. The molecular conformation shows little difference with other lapachol derivatives and lapachol itself. The packing is directed by intermolecular π–π and C—H...O interactions, as described by Hirshfeld surface analysis. The former interactions make the largest contributions to the total packing energy in a ratio of 2:1 with respect to the latter.

TBE in Sweden

2020 ◽  
Keyword(s):  
Genetic Characterization ◽  
Immunoglobulin M ◽  
Enzyme Linked Immunosorbent Assay ◽  
Second Phase ◽  
Serum Samples ◽  
Tick Borne Encephalitis ◽  
Specific Immunoglobulin ◽  
Tick Borne Encephalitis Virus ◽  
First Time

Tick-borne encephalitis virus (TBEV) was isolated for the first time in Sweden in 1958 (from ticks and from 1 tick-borne encephalitis [TBE] patient).1 In 2003, Haglund and colleagues reported the isolation and antigenic and genetic characterization of 14 TBEV strains from Swedish patients (samples collected 1991–1994).2 The first serum sample, from which TBEV was isolated, was obtained 2–10 days after onset of disease and found to be negative for anti-TBEV immunoglobulin M (IgM) by enzyme-linked immunosorbent assay (ELISA), whereas TBEV-specific IgM (and TBEV-specific immunoglobulin G/cerebrospinal fluid [IgG/CSF] activity) was demonstrated in later serum samples taken during the second phase of the disease.

Thermodynamic characterization of liquid alloys with demixing tendency: Bi–Ga

2008 ◽  
Vol 99 (1) ◽  
pp. 18-23 ◽  
Author(s):  
Beatrix Huber ◽  
Klaus W. Richter ◽  
Hans Flandorfer ◽  
Adolf Mikula ◽  
Herbert Ipser
Keyword(s):  
Liquid Alloys ◽  
Thermodynamic Characterization
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