Synthesis, characterization, and gas-phase fragmentation of rhenium–carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands

2016 ◽  
Vol 45 (45) ◽  
pp. 18346-18355 ◽  
Author(s):  
Tomás F. Beltrán ◽  
Guillermo Zaragoza ◽  
Lionel Delaude
Keyword(s):  
Gas Phase ◽  
Analytical Techniques ◽  
Binding Modes ◽  
Carbonyl Complexes ◽  
Wide Range ◽  
Rhenium Carbonyl ◽  
Gas Phase Fragmentation

The various binding modes of NHC·CS2 zwitterions to mono- and bimetallic rhenium–carbonyl complexes were thoroughly investigated using a wide range of analytical techniques.

Mono- and bimetallic manganese–carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands

2017 ◽  
Vol 46 (6) ◽  
pp. 1779-1788 ◽  
Author(s):  
Tomás F. Beltrán ◽  
Guillermo Zaragoza ◽  
Lionel Delaude
Keyword(s):  
Analytical Techniques ◽  
Carbonyl Complexes ◽  
Wide Range ◽  
Manganese Carbonyl

The coordination of NHC·CS2 zwitterions onto mono- and bimetallic manganese–carbonyl complexes and clusters was thoroughly investigated using a wide range of analytical techniques.

Recent Applications of High Resolution Electron Microscopy to Crystalline Arrays of Virus Particles

1978 ◽  
Vol 36 (3) ◽  
pp. 470-482 ◽  
Author(s):  
R.W. Horne
Keyword(s):  
Electron Microscopy ◽  
Image Processing ◽  
Analytical Techniques ◽  
Staining Technique ◽  
High Resolution Electron Microscopy ◽  
Optical Diffraction ◽  
Full Potential ◽  
Virus Particles ◽  
Resolution Electron ◽  
Wide Range

The technique of surrounding virus particles with a neutralised electron dense stain was described at the Fourth International Congress on Electron Microscopy, Berlin 1958 (see Home & Brenner, 1960, p. 625). For many years the negative staining technique in one form or another, has been applied to a wide range of biological materials. However, the full potential of the method has only recently been explored following the development and applications of optical diffraction and computer image analytical techniques to electron micrographs (cf. De Hosier & Klug, 1968; Markham 1968; Crowther et al., 1970; Home & Markham, 1973; Klug & Berger, 1974; Crowther & Klug, 1975). These image processing procedures have allowed a more precise and quantitative approach to be made concerning the interpretation, measurement and reconstruction of repeating features in certain biological systems.

Intrinsic Stacking Interactions of Natural and Artificial Nucleobases

2019 ◽  
Author(s):  
Drew P. Harding ◽  
Laura J. Kingsley ◽  
Glen Spraggon ◽  
Steven Wheeler
Keyword(s):  
Gas Phase ◽  
Electrostatic Interactions ◽  
Density Functional ◽  
Molecular Descriptors ◽  
Stacking Interactions ◽  
Interaction Energies ◽  
Functional Theory ◽  
Binding Partner ◽  
Heavy Atoms ◽  
Wide Range

The intrinsic (gas-phase) stacking energies of natural and artificial nucleobases were explored using density functional theory (DFT) and correlated ab initio methods. Ranking the stacking strength of natural nucleobase dimers revealed a preference in binding partner similar to that seen from experiments, namely G > C > A > T > U. Decomposition of these interaction energies using symmetry-adapted perturbation theory (SAPT) showed that these dispersion dominated interactions are modulated by electrostatics. Artificial nucleobases showed a similar stacking preference for natural nucleobases and were also modulated by electrostatic interactions. A robust predictive multivariate model was developed that quantitively predicts the maximum stacking interaction between natural and a wide range of artificial nucleobases using molecular descriptors based on computed electrostatic potentials (ESPs) and the number of heavy atoms. This model should find utility in designing artificial nucleobase analogs that exhibit stacking interactions comparable to those of natural nucleobases. Further analysis of the descriptors in this model unveil the origin of superior stacking abilities of certain nucleobases, including cytosine and guanine.

Approach in improving potency and selectivity of kinase inhibitors: Allosteric kinase inhibitors

2020 ◽  
Vol 21 ◽  
Author(s):  
Shangfei Wei ◽  
Tianming Zhao ◽  
Jie Wang ◽  
Xin Zhai
Keyword(s):  
Protein Interactions ◽  
Kinase Inhibitors ◽  
Binding Modes ◽  
Allosteric Inhibitors ◽  
Wide Range ◽  
Allosteric Sites ◽  
Protein Functions ◽  
Regulate Protein

: Allostery is an efficient and particular regulatory mechanism to regulate protein functions. Different from conserved orthosteric sites, allosteric sites have distinctive functional mechanism to form the complex regulatory network. In drug discovery, kinase inhibitors targeting the allosteric pockets have received extensive attention for the advantages of high selectivity and low toxicity. The approval of trametinib as the first allosteric inhibitor validated that allosteric inhibitors could be used as effective therapeutic drugs for treatment of diseases. To date, a wide range of allosteric inhibitors have been identified. In this perspective, we outline different binding modes and potential advantages of allosteric inhibitors. In the meantime, the research processes of typical and novel allosteric inhibitors are described briefly in terms of structureactivity relationships, ligand-protein interactions and in vitro and in vivo activity. Additionally, challenges as well as opportunities are presented.

scholarly journals Overview of Popular Techniques of Raman Spectroscopy and Their Potential in the Study of Plant Tissues

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1537
Author(s):  
Aneta Saletnik ◽  
Bogdan Saletnik ◽  
Czesław Puchalski
Keyword(s):  
Raman Spectroscopy ◽  
Cell Walls ◽  
Structural Changes ◽  
Spatial Information ◽  
Technological Development ◽  
Analytical Techniques ◽  
High Sensitivity ◽  
Plant Tissues ◽  
Wide Range ◽  
Identification Technique

Raman spectroscopy is one of the main analytical techniques used in optical metrology. It is a vibration, marker-free technique that provides insight into the structure and composition of tissues and cells at the molecular level. Raman spectroscopy is an outstanding material identification technique. It provides spatial information of vibrations from complex biological samples which renders it a very accurate tool for the analysis of highly complex plant tissues. Raman spectra can be used as a fingerprint tool for a very wide range of compounds. Raman spectroscopy enables all the polymers that build the cell walls of plants to be tracked simultaneously; it facilitates the analysis of both the molecular composition and the molecular structure of cell walls. Due to its high sensitivity to even minute structural changes, this method is used for comparative tests. The introduction of new and improved Raman techniques by scientists as well as the constant technological development of the apparatus has resulted in an increased importance of Raman spectroscopy in the discovery and defining of tissues and the processes taking place in them.

Graph theory-based reaction pathway searches and DFT calculations for the mechanism studies of free radical-initiated peptide sequencing mass spectrometry (FRIPS MS): a model gas-phase reaction of GGR tri-peptide

2020 ◽  
Vol 22 (9) ◽  
pp. 5057-5069 ◽  
Author(s):  
Jae-ung Lee ◽  
Yeonjoon Kim ◽  
Woo Youn Kim ◽  
Han Bin Oh
Keyword(s):  
Graph Theory ◽  
Dft Calculations ◽  
Gas Phase ◽  
Density Functional ◽  
Reaction Pathway ◽  
Peptide Sequencing ◽  
Phase Reaction ◽  
Functional Theory ◽  
Fragmentation Mechanisms ◽  
Gas Phase Fragmentation

A new approach for elucidating gas-phase fragmentation mechanisms is proposed: graph theory-based reaction pathway searches (ACE-Reaction program) and density functional theory (DFT) calculations.

scholarly journals Two competitive INC-mediated reactions in the gas-phase fragmentation of protonated indolyl benzo[b]carbazoles

2016 ◽  
Vol 30 ◽  
pp. 20-23 ◽  
Author(s):  
Xiaoping Zhang ◽  
Kezhi Jiang ◽  
Jingfeng Zou ◽  
Zuguang Li ◽  
Mawrong Lee
Keyword(s):  
Gas Phase ◽  
Gas Phase Fragmentation

NOHSO4/HF – A Novel Etching System for Crystalline Silicon

2007 ◽  
Vol 62 (11) ◽  
pp. 1411-1421 ◽  
Author(s):  
Sebastian Patzig ◽  
Gerhard Roewer ◽  
Edwin Kroke ◽  
Ingo över
Keyword(s):  
Gas Phase ◽  
Chemical Etching ◽  
Silicon Surface ◽  
Crystalline Silicon ◽  
Etching Solution ◽  
Wide Range ◽  
Ft Ir ◽  
Wet Chemical ◽  
Wet Chemical Etching ◽  
Etching System

Solutions consisting of HF - NOHSO4 - H2SO4 exhibit a strong reactivity towards crystalline silicon which is controlled by the concentrations of the reactive species HF and NO+. Selective isotropic and anisotropic wet chemical etching with these solutions allows to generate a wide range of silicon surface morphology patterns. Traces of Ag+ ions stimulate the reactivity and lead to the formation of planarized (polished) silicon surfaces. Analyses of the silicon surface, the etching solution and the gas phase were performed with scanning electron microscopy (SEM), DR/FT-IR (diffusive reflection Fourier transform infra-red), FT-IR, Raman and NMR spectroscopy, respectively. It was found that the resulting silicon surface is hydrogen-terminated. The gas phase contains predominantly SiF4, NO and N2O. Furthermore, NH4+ is produced in solution. The study has confirmed the crucial role of nitrosyl ions for isotropic wet chemical etching processes. The novel etching system is proposed as an effective new way for selective surface texturing of multi- and monocrystalline silicon. A high etching bath service lifetime, besides a low contamination of the etching solution with reaction products, provides ecological and economical advantages for the semiconductor and solar industry.

Gas-Phase Fragmentation of Polyoxotungstate Anions

2009 ◽  
Vol 48 (2) ◽  
pp. 598-606 ◽  
Author(s):  
Michelle T. Ma ◽  
Tom Waters ◽  
Karin Beyer ◽  
Rosemary Palamarczuk ◽  
Peter J. S. Richardt ◽  
...  
Keyword(s):  
Gas Phase ◽  
Gas Phase Fragmentation
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