Results 31 to 40 of about 4,376,785 (294)

A novel (E,E)-dioxime and its mono-, di- and trinuclear complexes bearing tetradentate octyl sulfanyl phenylamino substituents. Synthesis, characterization and electrochemical properties of its transition metal complexes

open access: yes, 2002
A new vic-dioxime, 13,14-bis-(hydroxyimino)-9,12,15,18-diazadithiaoctacosane, has been synthesized from 2-octylsulfanylaminobenzene and (E, E')-dichloroglyoxime.
Yılmaz, İsmail, Kandaz, Mehmet
core   +2 more sources

Lanthanide and transition metal complexes of dialkyl alpha-hydroxyiminophosphonates

open access: yes, 1996
α-Hydroxyiminophosphonic acid derivatives are widely known not only as intermediates in the synthesis of the important aminophosphonic acids,1,2 but also as phosphorylating agents,3 potential metalloenzyme inhibitors,4 and as compounds having fungicidal ...
Hudson, H.R.   +6 more
core   +1 more source

A Joint Semi-Supervised Variational Autoencoder and Transfer Learning Model for Designing Molecular Transition Metal Complexes [PDF]

open access: yes, 2023
Deep generative models (DGMs) have shown great promise in the generation of organic molecules and inorganic materials with chemical sensible structures and optimized properties.
Tzuhsiung, Yang   +3 more
core   +2 more sources

Reconstructing enzyme evolution by protein engineering

open access: yesFEBS Letters, EarlyView.
Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler   +2 more
wiley   +1 more source

Computational Examination of Transition Metal-Salen Complexes for the Reduction of CO2 [PDF]

open access: yes, 2023
In this comprehensive study, we investigated the catalytic potential of seven transition metal-salen (TM-salen) complexes for the reduction of CO2 using ab initio methods.
Gavin, McCarver   +2 more
core   +1 more source

Functional comparison of EncB and EncC cargo proteins in iron storage within the Myxococcus xanthus encapsulin

open access: yesFEBS Letters, EarlyView.
Encapsulins are protein nanocompartments that play an important role in iron storage. In the Myxococcus xanthus encapsulin system, two cargo proteins called EncB and EncC contribute to iron mineralization. Here, we show that EncB and EncC generate iron‐containing minerals with distinct chemical compositions, suggesting that the composition of stored ...
Harry B. McDowell   +2 more
wiley   +1 more source

In-silico DFT studies and molecular docking evaluation of benzimidazo methoxy quinoline-2-one ligand and its Co, Ni, Cu and Zn complexes as potential inhibitors of Bcl-2, Caspase-3, EGFR, mTOR, and PI3K, cancer-causing proteins

open access: yesChemical Physics Impact
We present here the design, Density Functional Theory (DFT) and Molecular Docking studies of Benzimidazo Methoxy Quinoline-2-one (BMQ) ligand-coordinated transition metal complexes (Co, Ni, Cu, and Zn).
K Kaavin   +6 more
doaj   +1 more source

FIRST-ROW TRANSITION METAL COMPLEXES OF OMEPRAZOLE AS ANTI-ULCERATIVE DRUGS

open access: yesIndonesian Journal of Chemistry, 2010
Omeprazole (OME) is a proton pump inhibitor (PPI). PPIs have enabled to improve the treatment of various acid-peptic disorders. OME is a weak base and it can form several complexes with transition and non-transition metal ions.
Suman Malik, Supriya Das, Bharti Jain
doaj   +1 more source

Synthesis and characterisation of chromium (III) complexes with polypyridyl ligands [PDF]

open access: yes, 2014
Slowing down climate change is probably the biggest current global challenge for mankind. The two main strategies to achieve this are the development of new sustainable energy sources and new or improved technologies that are less energy consuming ...
Schönle, Jonas Michael
core   +1 more source

Revealing the Nature of Electron Correlation in Transition Metal Complexes with Symmetry-Breaking and Chemical Intuition [PDF]

open access: yes, 2021
The present work provides a useful framework through which theoreticians and practicing computational chemists alike can view electron correlations in transition metal complexes.
Joonho, Lee   +4 more
core   +2 more sources

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