Results 31 to 40 of about 115,259 (306)

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

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   +1 more source

Comparison of Solid and Solvent - Based Syntheses, Characterization and Antioxidant Property of Metal Complexes of Sodium Diclofenac

open access: yesFountain Journal of Natural and Applied Sciences (FUJNAS), 2020
Mechanosynthesis and solvent – based syntheses of transition metals (Ni, Co and Zn) complexes of Sodium diclofenac has been carried out by 1:1 molar ratio of the ligand to metal salts respectively.
W. A. Osunniran   +4 more
doaj   +3 more sources

Synthesis and Characterization of FeІІ , CoІІ , NiІІ , CuІІ and ZnІІ Complexes With Dithiocarbamate and N-Donor Ligands

open access: yesIbn Al-Haitham Journal for Pure and Applied Sciences, 2017
New complexes of first series of transition metals with P-amino benzene dithiocarbamate of the general formula [M(PABdtc)2] and [ M(PABdtc)2(L)n] M=Fe( ІІ ),Co( ІІ ),Ni( ІІ ) ,Cu(ІІ) and Zn (ІІ). PABdtc = Paraamino benzene dithiocarbamate ,n=2
Mohammed Jassim Mohammed   +1 more
doaj   +1 more source

Transition Metal Complexes with HIV/AIDS Inhibitory Properties [PDF]

open access: yesChemical Review and Letters, 2020
The management of HIV in the human body has been a major research area in the quest to either find the cure or the preventative scientific measure. The quest to manage the virus has been successful using some organic molecules which target one or more of
Florence Nareetsile   +3 more
doaj   +1 more source

Automated prediction of ground state spin for transition metal complexes.

open access: yesDigit Discov
Exploiting crystallographic data repositories for large-scale quantum chemical computations requires the rapid and accurate extraction of the molecular structure, charge and spin from the crystallographic information file.
Cho Y, Laplaza R, Vela S, Corminboeuf C.
europepmc   +2 more sources

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

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

Protein pyrophosphorylation by inositol pyrophosphates — detection, function, and regulation

open access: yesFEBS Letters, EarlyView.
Protein pyrophosphorylation is an unusual signaling mechanism that was discovered two decades ago. It can be driven by inositol pyrophosphate messengers and influences various cellular processes. Herein, we summarize the research progress and challenges of this field, covering pathways found to be regulated by this posttranslational modification as ...
Sarah Lampe   +3 more
wiley   +1 more source

Synthesis , Characterization , Antimicrobial New 2,2'-[(1E,2E)-ethane-1,2-diylidenedi(2E)hydrazin-1-yl-2-ylidene]bis (5-methyl-1,3,4-oxadiazole) and their transition metal complexes

open access: yesمجلة علوم ذي قار, 2019
        Transition metal complexes of new legend 2,2'-[(1E,2E)-ethane-1,2-diylidenedi(2E) hydrazin-1-yl-2-ylidene] bis (5-methyl-1,3,4-oxadiazole) with some transition metal ion such as Cr3, Co3+, Ni2+  were synthesis ,characterization by magnetic ...
Azhar H. Katea
doaj   +4 more sources

The (Glg)ABCs of cyanobacteria: modelling of glycogen synthesis and functional divergence of glycogen synthases in Synechocystis sp. PCC 6803

open access: yesFEBS Letters, EarlyView.
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee   +3 more
wiley   +1 more source

Metal-metal bond lengths in complexes of transition metals [PDF]

open access: yesProceedings of the National Academy of Sciences, 1976
In complexes of the transition metals containing clusters of metal atoms the cobalt-cobalt bond lengths are almost always within 1 pm of the single-bond value 246 pm given by the enneacovalent radius of cobalt, whereas most of the observed iron-iron bond lengths are significantly larger than the single-bond value 248 pm, the mean being 264
openaire   +2 more sources

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