Computational mechanistic study in organometallic catalysis: Why prediction is still a challenge

2021 ◽  
Author(s):  
Natalie Fey ◽  
Jason M. Lynam
Keyword(s):  
Mechanistic Study ◽  
Organometallic Catalysis

Mechanistic study of proliferation induced by Angelica sinensis in gastric epithelial cells

2001 ◽  
Vol 120 (5) ◽  
pp. A145-A145
Author(s):  
C CHO ◽  
Y YE ◽  
E LIU ◽  
V SHIN ◽  
N SHAM
Keyword(s):  
Epithelial Cells ◽  
Mechanistic Study ◽  
Angelica Sinensis ◽  
Gastric Epithelial Cells

Mechanistic study on the cardioprotective and chemosensitizing effects of a novel danshensu derivative

Planta Medica ◽  
2014 ◽  
Vol 80 (16) ◽  
Author(s):  
L Wang ◽  
L Shan ◽  
G Cui ◽  
Y Chen ◽  
J li ◽  
...  
Keyword(s):  
Mechanistic Study

Mechanistic Study and Development of Catalytic Reactions of Sm(II)

2018 ◽  
Author(s):  
Sandepan Maity ◽  
Robert Flowers
Keyword(s):  
Molecular Weight ◽  
High Molecular Weight ◽  
Proton Donor ◽  
Catalytic Reactions ◽  
Mechanistic Study ◽  
Mechanistic Studies ◽  
Cyclization Reactions ◽  
Mechanistic Approach ◽  
Donor Source

Despite the broad utility and application of SmI<sub>2</sub>in synthesis, the reagent is used in stoichiometric amounts and has a high molecular weight, resulting in a large amount of material being used for reactions requiring one or more equivalents of electrons. We report mechanistic studies on catalytic reactions of Sm(II) employing a terminal magnesium reductant and trimethyl silyl chloride in concert with a non-coordinating proton donor source. Reactions using this approach permitted reductions with as little as 1 mol% Sm. The mechanistic approach enabled catalysis employing HMPA as a ligand, facilitating the development of catalytic Sm(II) 5-<i>exo</i>-<i>trig </i>ketyl olefin cyclization reactions.

Activated carbon from molasses efficiency for Cr(VI), Pb(II) and Cu(II) adsorption: A mechanistic study

2019 ◽  
Author(s):  
Chem Int
Keyword(s):  
Activated Carbon ◽  
Phosphoric Acid ◽  
Sugar Industry ◽  
Chemical Activation ◽  
High Surface ◽  
High Surface Area ◽  
Mechanistic Study ◽  
Acid Mixture ◽  
Maximum Adsorption Capacity ◽  
Good Potential

Activated carbon was prepared from molasses, which are natural precursors of vegetable origin resulting from the sugar industry. A simple elaboration process, based on chemical activation with phosphoric acid, was proposed. The final product, prepared by activation of molasses/phosphoric acid mixture in air at 500°C, presented high surface area (more than 1400 m2/g) and important maximum adsorption capacity for methylene blue (625 mg/g) and iodine (1660 mg/g). The activated carbon (MP2(500)) showed a good potential for the adsorption of Cr(VI), Cu(II) and Pb(II) from aqueous solutions. The affinity for the three ions was observed in the following order Cu2+ Cr6+ Pb2+. The process is governed by monolayer adsorption following the Langmuir model, with a correlation coefficient close to unity.

Reverse Iontophoretic Extraction of Gabapentin: A Mechanistic Study

2018 ◽  
Vol 15 (7) ◽  
pp. 965-971 ◽  
Author(s):  
Subhasis Chakrabarty ◽  
Bijaya Ghosh ◽  
Tapan K. Giri ◽  
Jasmina Khanam
Keyword(s):  
Mechanistic Study

Synthesis, Spectral Characterization, Antibacterial and Anticancer Activity of some Titanium Complexes

2018 ◽  
Vol 18 (5) ◽  
pp. 739-746 ◽  
Author(s):  
Raj Kaushal ◽  
Nitesh Kumar ◽  
Archana Thakur ◽  
Kiran Nehra ◽  
Pamita Awasthi ◽  
...  
Keyword(s):  
Cell Cycle ◽  
Cell Death ◽  
Anticancer Activity ◽  
Cell Lines ◽  
Spectral Characterization ◽  
Mechanistic Study ◽  
Titanium Complexes ◽  
G0 Phase ◽  
Antibacterial And Anticancer Activity ◽  
Dose Dependent

Abstract: Background: After the discovery of cisplatin, first non platinum anticancer drugs having excellent efficacy were budotitane and TiCl2(cp)2 but action mechanism is not clear. Therefore, we hereby reporting synthesis and biological activities novel titanium complexes to explore their mode of action. Objectives: Synthesis, spectral characterization, antibacterial and anticancer activity of some titanium complexes. Antibacterial studies on various bacterial strains and anticancer studies on HeLa, C6, CHO cancerous cell lines have been performed. Further, the cell death mechanistic study was done on CHO cell lines. Method: Titanium complexes with and without labile groups have been synthesized by reacting of TiCl4 with nitrogen containing ligands viz. 1,2-diaminocyclohexane, 1,10-Phenanthroline, adamantylamine, 2,2'-bipyridine, 4,4'-dimethyl-2,2'-bipyridine in predetermined molar ratios. Antibacterial and anticancer studies were performed by agar well diffusion method and MTT assay respectively. Cell cycle analysis is done by using flow cytometry. Results: Complex 2 i.e TiCl2(Phen)2 showed better activity than other complexes as an antibacterial as well as anticancer agent. Phase contrast imaging indicates that observed morphological changes of cells was dose dependent. Cell death mechanistic study have shown the increase in sub G0 phase population as well as formation of blebbing and fragmentation of chromatin material which is an indicative measure of apoptosis. Conclusion: Complex 2 proved to be more effective bactericide and cytotoxic agent. Cell cycle analysis showed cell arrest in G0 phase. Apoptosis percentage was found to increase in a dose dependent manner. So, prepared titanium complexes can be put to use as an important chemotherapeutic agents.

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