scholarly journals Molecular modeling and structural characterization of a high glycine–tyrosine hair keratin associated protein

2017 ◽  
Vol 19 (12) ◽  
pp. 8575-8583 ◽  
Author(s):  
Rakesh S. Singh ◽  
Jeremy C. Palmer ◽  
Paul D. A. Pudney ◽  
Prem K. C. Paul ◽  
Christian Johannessen ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Molecular Modeling ◽  
Structural Characterization ◽  
Matrix Protein ◽  
Hair Keratin ◽  
First Time

For the first time, the molecular structure of a hair cortical matrix protein KAP8.1 has been characterised using modelling and spectroscopy.

scholarly journals Structural Characterization of Heterodinuclear ZnII-LnIII Complexes (Ln = Pr, Nd) with a Ring-Contracted H2valdien-Derived Schiff Base Ligand

2021 ◽  
Author(s):  
Shabana Noor ◽  
Richard Goddard ◽  
Fehmeeda Khatoon ◽  
Sarvendra Kumar ◽  
Rüdiger W. Seidel
Keyword(s):  
Molecular Structure ◽  
Schiff Base ◽  
Structural Characterization ◽  
Schiff Base Ligand ◽  
Crystal And Molecular Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Imidazoline Ring

AbstractSynthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes with the formula [ZnLn(HL)(µ-OAc)(NO3)2(H2O)x(MeOH)1-x]NO3 · n H2O · n MeOH [Ln = Pr (1), Nd (2)] and the crystal and molecular structure of [ZnNd(HL)(µ-OAc)(NO3)2(H2O)] [ZnNd(HL)(OAc)(NO3)2(H2O)](NO3)2 · n H2O · n MeOH (3) are reported. The asymmetrical compartmental ligand (E)-2-(1-(2-((2-hydroxy-3-methoxybenzylidene)amino)-ethyl)imidazolidin-2-yl)-6-methoxyphenol (H2L) is formed from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation, resulting in a peripheral imidazoline ring. The structures of 1–3 were revealed by X-ray crystallography. The smaller ZnII ion occupies the inner N2O2 compartment of the ligand, whereas the larger and more oxophilic LnIII ions are found in the outer O2O2’ site. Graphic Abstract Synthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes (Ln = Pr, Nd) bearing an asymmetrical compartmental ligand formed in situ from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation are reported.

scholarly journals Structural Characterization of a Recombinant Fusion Protein by Instrumental Analysis and Molecular Modeling

PLoS ONE ◽  
2013 ◽  
Vol 8 (3) ◽  
pp. e57642 ◽  
Author(s):  
Zhigang Wu ◽  
Peng Zhou ◽  
Xiaoxin Li ◽  
Hui Wang ◽  
Delun Luo ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Fusion Protein ◽  
Structural Characterization ◽  
Recombinant Fusion Protein ◽  
Instrumental Analysis

scholarly journals Synthesis and structural characterization of hexa-μ2-chlorido-μ4-oxido-tetrakis{[4-(phenylethynyl)pyridine-κN]copper(II)} dichloromethane monosolvate

2021 ◽  
Vol 77 (1) ◽  
pp. 42-46
Author(s):  
Rayya A. Al Balushi ◽  
Muhammad S. Khan ◽  
Md. Serajul Haque Faizi ◽  
Ashanul Haque ◽  
Kieran Molloy ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structural Characterization ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
The Core ◽  
Dimensional Network ◽  
Packing Arrangement

In the crystal structure of the title compound, [Cu4Cl6O(C13H9N)4]·CH2Cl2, the core molecular structure consists of a Cu4 tetrahedron with a central interstitial O atom. Each edge of the Cu4 tetrahedron is bridged by a chlorido ligand. Each copper(II) cation is coordinated to the central O atom, two chlorido ligands and one N atom of the 4-phenylethynylpyridine ligand. In the crystal, the molecules are linked by intermolecular C—H...Cl interactions. Furthermore, C—H...π and π–π interactions also connect the molecules, forming a three-dimensional network. Hirshfeld surface analysis indicates that the most important contributions for the packing arrangement are from H...H and C...H/H...C interactions.

scholarly journals Characterization of a Natural Dye by Spectroscopic and Chromatographic Techniques

2012 ◽  
Vol 1374 ◽  
pp. 49-59 ◽  
Author(s):  
Y. Espinosa-Morales ◽  
J. Reyes ◽  
B. Hermosín ◽  
J. A. Azamar-Barrios
Keyword(s):  
Molecular Structure ◽  
Phenolic Compounds ◽  
Central America ◽  
Structural Characterization ◽  
Chemical Properties ◽  
The Other ◽  
Chromatographic Techniques ◽  
Ft Ir ◽  
Color Source

ABSTRACTNatural dyes have been extracted from both plants and animal to give color to textiles and handicrafts. This is the case of purple dye extracted from Justicia spicigera Schldt, an acanthaceae used as a color source since pre-Hispanic period in the Mayan area of Mexico and Central America. Spectroscopic (UV-Vis and FT-IR) and chromatographic (PY-GC/MS) techniques were employed in order to characterize some of their chemical properties. UV-VIS absorption spectra indicates a λmaxpeak at 581 nm, value associated to anthocyanins group under bathochromic effect. On the other hand, a structural characterization realized by FT-IR and Py-GC/MS indicated the presence of polar hydroxibenzoic acids and phenolic compounds which are characteristics of the molecular structure of anthocyanins.

Spectroscopic and structural characterization of three silaisocyanides: exploring an elusive class of reactive molecules at high resolution

2015 ◽  
Vol 51 (56) ◽  
pp. 11305-11308 ◽  
Author(s):  
Sven Thorwirth ◽  
Ralf I. Kaiser ◽  
Kyle N. Crabtree ◽  
Michael C. McCarthy
Keyword(s):  
High Resolution ◽  
Spectral Resolution ◽  
Structural Characterization ◽  
High Spectral Resolution ◽  
First Time

The fundamental silaisocyanides HCCNSi, HC4NSi, and NCNSi have been characterized at high spectral resolution for the first time. All three chains are good candidates for radio astronomical detection.

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