Interaction of peptide backbones and transition metal ions: 1. an IM-MS and DFT study of the binding pattern, structure and fragmentation of Pd(II)/Ni(II)-Polyalanine complexes

2019 ◽  
Vol 438 ◽  
pp. 87-96 ◽  
Author(s):  
Ziye Liu ◽  
Siyun Chen ◽  
Fangfang Qiao ◽  
Xinhao Zhang
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Transition Metal Ions ◽  
Dft Study ◽  
Binding Pattern ◽  
Pattern Structure

scholarly journals Theoretical Insights into the Catalytic Effect of Transition-Metal Ions on the Aquathermal Degradation of Sulfur-Containing Heavy Oil: A DFT Study of Cyclohexyl Phenyl Sulfide Cleavage

ACS Omega ◽  
2020 ◽  
Vol 5 (31) ◽  
pp. 19589-19597
Author(s):  
Ilya Tverdov ◽  
Nail R. Khafizov ◽  
Timur I. Madzhidov ◽  
Mikhail A. Varfolomeev ◽  
Chengdong Yuan ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Heavy Oil ◽  
Catalytic Effect ◽  
Transition Metal Ions ◽  
Dft Study ◽  
Phenyl Sulfide ◽  
Sulfur Containing

Theoretical insight into the catalytic effect of transition metal ions on the aquathermal degradation of heavy oil: A DFT study of cyclohexyl phenyl amine cleavage

Fuel ◽  
2022 ◽  
Vol 312 ◽  
pp. 123002
Author(s):  
Nail R. Khafizov ◽  
Timur I. Madzhidov ◽  
Chengdong Yuan ◽  
Mikhail A. Varfolomeev ◽  
Oleg N. Kadkin
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Heavy Oil ◽  
Catalytic Effect ◽  
Transition Metal Ions ◽  
Dft Study ◽  
Theoretical Insight ◽  
Insight Into

Direct Evidence of Orbital Mixing between Water and Solvated Transition-Metal Ions:  An Oxygen 1s XAS and DFT Study of Aqueous Systems

2003 ◽  
Vol 107 (35) ◽  
pp. 6869-6876 ◽  
Author(s):  
Lars-Åke Näslund ◽  
Matteo Cavalleri ◽  
Hirohito Ogasawara ◽  
Anders Nilsson ◽  
Lars G. M. Pettersson ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Direct Evidence ◽  
Transition Metal Ions ◽  
Dft Study ◽  
Aqueous Systems ◽  
Orbital Mixing

HREM Study of electron-induced surface radiation damage in ReO3

1991 ◽  
Vol 49 ◽  
pp. 636-637
Author(s):  
R. Ai ◽  
H.-J. Fan ◽  
L. D. Marks
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Metal Oxides ◽  
Electron Irradiation ◽  
Transition Metal Oxides ◽  
Carbon Film ◽  
Transition Metal Ions ◽  
Surface Radiation ◽  
Valence Transition ◽  
Electron Microscopes

It has been known for a long time that electron irradiation induces damage in maximal valence transition metal oxides such as TiO2, V2O5, and WO3, of which transition metal ions have an empty d-shell. This type of damage is excited by electronic transition and can be explained by the Knoteck-Feibelman mechanism (K-F mechanism). Although the K-F mechanism predicts that no damage should occur in transition metal oxides of which the transition metal ions have a partially filled d-shell, namely submaximal valence transition metal oxides, our recent study on ReO3 shows that submaximal valence transition metal oxides undergo damage during electron irradiation.ReO3 has a nearly cubic structure and contains a single unit in its cell: a = 3.73 Å, and α = 89°34'. TEM specimens were prepared by depositing dry powders onto a holey carbon film supported on a copper grid. Specimens were examined in Hitachi H-9000 and UHV H-9000 electron microscopes both operated at 300 keV accelerating voltage. The electron beam flux was maintained at about 10 A/cm2 during the observation.

Synthesis, Spectral and Antimicrobial Investigation of 2-(Naphthalenel-ylamino)-2- Phenylacetonitrile and 1, 10-Phenanthroline with Five Divalent Transition Metal Ions

2019 ◽  
Vol 10 (01) ◽  
Author(s):  
Mohammed Al-Amery1 ◽  
Ashraf Saad Rasheed ◽  
Dina A. Najeeb
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Transition Metal Ions ◽  
Molar Conductance ◽  
Octahedral Geometry ◽  
Mixed Ligand ◽  
Gram Negative Bacteria ◽  
Magnetic Studies ◽  
Gram Positive Bacteria

Five new mixed ligand metal complexes have been synthesized by the reaction of divalent transition metal ions (Hg, Ni, Zn, Cu and Cd) with 2-(naphthalen-l-ylamino)-2-phenylacetonitrile (L1 ) and 1,10-phenanthroline (L2). The coordination likelihood of the two ligands toward metal ions has been suggested in the light of elemental analysis, UV-Vis spectra, FTIR, 1H-NMR, flam atomic absorption, molar conductance and magnetic studies. Results data suggest that the octahedral geometry for all the prepared complexes. Antibacterial examination of synthesized complexes in vitro was performed against four bacterias. Firstly, Gram-negative bacteria namely, Pseudomonas aerugin and Escherichia. Secondly, Gram-positive bacteria namely, Bacillus subtilis, Staphylococcuaurouss. Results data exhibit that the synthesized complexes exhibited more biological activity than tetracycline pharmaceutical.

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