The origin of different driving forces between O–H/N–H functional groups in metal ligand cooperation: mechanistic insight into Mn(i) catalysed transfer hydrogenation

2020 ◽  
Vol 10 (1) ◽  
pp. 169-179 ◽  
Author(s):  
Li Zhou ◽  
Datai Liu ◽  
Haiyi Lan ◽  
Xiujian Wang ◽  
Cunyuan Zhao ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Functional Groups ◽  
Driving Forces ◽  
Transfer Hydrogenation ◽  
Bifunctional Catalysts ◽  
Mechanistic Insight ◽  
Insight Into ◽  
Metal Ligand

The origin of different catalytic activity between two structurally similar Lewis basic bifunctional catalysts.

Mechanistic insight into Ni-mediated decarbonylation of unstrained ketones: the origin of decarbonylation catalytic activity

2018 ◽  
Vol 5 (15) ◽  
pp. 2332-2339 ◽  
Author(s):  
Langhuan Jiang ◽  
Fang Huang ◽  
Qiong Wang ◽  
Chuanzhi Sun ◽  
Jianbiao Liu ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Calculation Method ◽  
Dft Calculation ◽  
Catalytic Cycle ◽  
Mechanistic Insight ◽  
Insight Into

The origin of the Ni-mediated decarbonylation catalytic cycle of unstrained ketones was explored using the DFT calculation method.

Mechanistic Insight into the Catalytic Activity of ββα-Metallonucleases from Computer Simulations: Vibrio vulnificus Periplasmic Nuclease as a Test Case

ChemBioChem ◽  
2011 ◽  
Vol 12 (17) ◽  
pp. 2615-2622 ◽  
Author(s):  
Juan A. Bueren-Calabuig ◽  
Claire Coderch ◽  
Eva Rico ◽  
Antonio Jiménez-Ruiz ◽  
Federico Gago
Keyword(s):  
Catalytic Activity ◽  
Computer Simulations ◽  
Vibrio Vulnificus ◽  
Test Case ◽  
Mechanistic Insight ◽  
Insight Into

scholarly journals Ruthenium(II) complexes bearing (NNN) ligand: catalytic evaluation of different solvent-mediated coordination modes

2018 ◽  
Vol 96 (1) ◽  
pp. 40-43 ◽  
Author(s):  
Sara Pellegrino ◽  
Giorgio Facchetti ◽  
Raffella Gandolfi ◽  
Marco Fusè ◽  
Emanuela Erba ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Functional Groups ◽  
Transfer Hydrogenation ◽  
Tridentate Ligand ◽  
Asymmetric Transfer Hydrogenation ◽  
Coordination Modes ◽  
Aryl Ketones

A new (NNN) tridentate ligand was prepared, and its ability to coordinate ruthenium(II) was evaluated. The presence of different functional groups on the ligand allows bi- or tri-coordinated complexes to be obtained depending on complexation conditions. The catalytic activity of both bidentate and tridentate complexes was studied in asymmetric transfer hydrogenation of different aryl ketones, showing a comparable behavior of the two complexes in terms of efficiency and stereoselectivity.

scholarly journals An Efficient Hydration and Tandem Transfer Hydrogenation of Alkynes for the Synthesis of Alcohol in Water

Synthesis ◽  
2020 ◽  
Vol 52 (22) ◽  
pp. 3439-3445
Author(s):  
Lu Ouyang ◽  
Renshi Luo ◽  
Nianhua Luo ◽  
Yuhong Zhong ◽  
Ji-Tian Liu
Keyword(s):  
Catalytic Activity ◽  
Formic Acid ◽  
Efficient Method ◽  
Transfer Hydrogenation ◽  
High Catalytic Activity ◽  
Turnover Frequency ◽  
One Pot ◽  
Mild Conditions ◽  
Tandem Process ◽  
Metal Ligand

A practical and efficient method for the synthesis of alcohols in one pot from readily available alkynes via a tandem process by formic acid promoted hydration and metal-ligand bifunctional iridium-catalyzed­ transfer hydrogenation under mild conditions has been described. This transformation is simple, efficient, and can be performed with a variety of alkynes in good yields and with excellent stereoselectivities. Experimental results showed high catalytic activity, and turnover frequency (TOF) up to 25000. Importantly, this transformation can be conducted in water, and is thus green and environmentally friendly.

A Unique Class of Conditional sir2 Mutants Displays Distinct Silencing Defects in Saccharomyces cerevisiae

Genetics ◽  
2002 ◽  
Vol 162 (2) ◽  
pp. 721-736 ◽  
Author(s):  
Sandra N Garcia ◽  
Lorraine Pillus
Keyword(s):  
Saccharomyces Cerevisiae ◽  
Catalytic Activity ◽  
Dna Binding Domain ◽  
Catalytic Core ◽  
Conserved Residues ◽  
Mutant Proteins ◽  
Mechanistic Insight ◽  
Chromatin Proteins ◽  
Insight Into ◽  
Subtelomeric Regions

Abstract Silencing provides a critical means of repressing transcription through the assembly and modification of chromatin proteins. The NAD+-dependent deacetylation of histones by the Sir2p family of proteins lends mechanistic insight into how SIR2 contributes to silencing. Here we describe three locus-specific sir2 mutants that have a spectrum of silencing phenotypes in yeast. These mutants are dependent on SIR1 for silencing function at the HM silent mating-type loci, display distinct phenotypes at the rDNA, and have dominant silencing defects at the telomeres. Telomeric silencing is restored if the mutant proteins are directly tethered to subtelomeric regions, via a Gal4p DNA-binding domain (GBD), or are recruited by tethered GBD-Sir1p. These sir2 mutations are found within conserved residues of the SIR2 family and lead to defects in catalytic activity. Since one of the mutations lies outside the previously defined minimal catalytic core, our results show that additional regions of Sir2p can be important for enzymatic activity and that differences in levels of activity may have distinct effects at the silenced loci.

scholarly journals Mechanistic insight into the catalytic hydrogenation of nonactivated aldehydes with a Hantzsch ester in the presence of a series of organoboranes: NMR and DFT studies

RSC Advances ◽  
2019 ◽  
Vol 9 (18) ◽  
pp. 10201-10210 ◽  
Author(s):  
Go Hamasaka ◽  
Hiroaki Tsuji ◽  
Masahiro Ehara ◽  
Yasuhiro Uozumi
Keyword(s):  
Dft Calculations ◽  
Catalytic Hydrogenation ◽  
Transfer Hydrogenation ◽  
Dft Studies ◽  
Mechanistic Studies ◽  
Mechanistic Insight ◽  
Insight Into

Mechanistic studies on the organoborane-catalyzed transfer hydrogenation of nonactivated aldehydes with a Hantzsch ester as a synthetic NADPH analogue were performed by NMR experiments and DFT calculations.

scholarly journals Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds - a Step Toward Nacre Mimicry.

2019 ◽  
Author(s):  
Anne Rath Nielsen ◽  
Stanislav Jelavic ◽  
Daniel Murray ◽  
Behzad Rad ◽  
Martin Andersson ◽  
...  
Keyword(s):  
Free Energy ◽  
Calcium Carbonate ◽  
Kinetic Parameters ◽  
Functional Groups ◽  
Driving Forces ◽  
Interfacial Free Energy ◽  
Nucleation Theory ◽  
Dynamic Force ◽  
Thermodynamic And Kinetic Parameters ◽  
Insight Into

To establish an approach for a bulk upscaling of a composit material consisting of calcium carbonate and tunable peptoids we here combined three distinct approaches to thoroughly access the underlying kinetic and thermodynamic driving forces for CaCO3 formation on peptoid polymers. We derived the net interfacial free energy for calcite formation on the nanosheets and self-assemblage monolayers of the sheets constituent functional groups (carboxyl, amine and a 1:1 mix) using: nucleation experiments, dynamic force spectroscopy and theoretical modeling (COSMO-RS). We applied nucleation theory to the results and obtain insight into conditions were we can obtain favorable nucleation conditions on the polymers in a highly controlled manner.

scholarly journals Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds - a Step Toward Nacre Mimicry.

2019 ◽  
Author(s):  
Anne Rath Nielsen ◽  
Stanislav Jelavic ◽  
Daniel Murray ◽  
Behzad Rad ◽  
Martin Andersson ◽  
...  
Keyword(s):  
Free Energy ◽  
Calcium Carbonate ◽  
Kinetic Parameters ◽  
Functional Groups ◽  
Driving Forces ◽  
Interfacial Free Energy ◽  
Nucleation Theory ◽  
Dynamic Force ◽  
Thermodynamic And Kinetic Parameters ◽  
Insight Into

To establish an approach for a bulk upscaling of a composit material consisting of calcium carbonate and tunable peptoids we here combined three distinct approaches to thoroughly access the underlying kinetic and thermodynamic driving forces for CaCO3 formation on peptoid polymers. We derived the net interfacial free energy for calcite formation on the nanosheets and self-assemblage monolayers of the sheets constituent functional groups (carboxyl, amine and a 1:1 mix) using: nucleation experiments, dynamic force spectroscopy and theoretical modeling (COSMO-RS). We applied nucleation theory to the results and obtain insight into conditions were we can obtain favorable nucleation conditions on the polymers in a highly controlled manner.

Sign in / Sign up

Export Citation Format

Share Document