Mechanistic insights into biomimetic carbonic anhydrase action catalyzed by doped carbon nanotubes and graphene

Literature Information

Publication Date 2017-02-13
DOI 10.1039/C7CP00556C
Impact Factor 3.676
Authors

Manju Verma, Parag A. Deshpande


View Original

Abstract

Electronic structural analyses of hydrogen terminated metal doped carbon nanotube/graphene (M-CNT/Gr, MN3-CNT/Gr, M = Ru/Rh) and ruthenium cluster decorated carbon nanotube/graphene (Ru4-CNT/Gr) were carried out for examining the biomimetic catalytic activity towards CO2 hydration reaction. The carbonic anhydrase action was followed for the reaction of CO2 with H2O resulting in a bicarbonate ion and a proton. All the catalysts were found to be active for CO2 hydration and the mechanism proved them to be biomimetic. Interconversion of CO2 to a HCO3− ion took place with five elementary steps viz. OH− formation by H2O dissociation, linear CO2 complexation, CO2 bending by nucleophilic attack of an OH− ion over CO2, HCO3− ion formation by intramolecular proton migration and HCO3− ion displacement by H2O addition. Free energy landscapes over the catalysts were developed for CO2 hydration reaction. The activation energies of H2O dissociation and CO2 bending were observed to be substantially smaller over Ru4-CNT when compared to those over the other catalysts. Ru4-CNT was found to be the best catalyst for CO2 hydration with the rate limiting step being HCO3− ion formation.

Related Literature

An azido–metal–isonicotinate complex showing long-range ordered ferromagnetic interaction: synthesis, structure and magnetic properties

Yong-Fei Zeng, Fu-Chen Liu, Jiong-Peng Zhao, Shuang Cai, Xian-He Bu, Joan Ribas

2006-04-24 Communication

DOI: 10.1039/B601311B

A catenane consisting of a large ring threaded through both cyclic units of a handcuff-like compound

Julien Frey, Tomáš Kraus, Valérie Heitz, Jean-Pierre Sauvage

2005-09-23 Communication

DOI: 10.1039/B509745B

Intramolecular alkene hydroaminations catalyzed by a bis(thiophosphinic amidate) Zr(iv) complex

Hyunseok Kim, Phil Ho Lee, Tom Livinghouse

2005-09-20 Communication

DOI: 10.1039/B505738H

Assembled bright green fluorescent zinc coordination polymer

Ruibiao Fu, Shengchang Xiang, Shengmin Hu, Longsheng Wang, Yaming Li, Xihe Huang, Xintao Wu

2005-09-22 Communication

DOI: 10.1039/B509695B

Carbohydrate triazoles and isoxazoles as inhibitors of galectins-1 and -3

Denis Giguère, Ramesh Patnam, Marc-André Bellefleur, Christian St-Pierre, Sachiko Sato, René Roy

2006-03-16 Communication

DOI: 10.1039/B517529A

Selective functionalization of imidazolesvia an iodine–copper exchange reaction

Xiaoyin Yang, Paul Knochel

2006-04-20 Communication

DOI: 10.1039/B603419E

Simple transformation of crystalline chiral natural anions to liquid medium and their use to induce chirality

Luís C. Branco, Pedro M. P. Gois, Nuno M. T. Lourenço, Vanya B. Kurteva, Carlos A. M. Afonso

2006-05-10 Communication

DOI: 10.1039/B600816J

Recent progress in cobalt-mediated [2 + 2 + 2] cycloaddition reactions

Vincent Gandon, Corinne Aubert, Max Malacria

2006-03-16 Feature Article

DOI: 10.1039/B517696B

Quinoidal oligoquinoline: a novel quinodimethane exhibiting high electroluminescence efficiency and p-channel field effect charge transport

Christopher J. Tonzola, Jessica M. Hancock, Amit Babel, Samson A. Jenekhe

2005-09-21 Communication

DOI: 10.1039/B509322H

Phosphoester-transfer mechanism of an RNA-cleaving acidic deoxyribozyme revealed by radioactivity tracking and enzymatic digestion

Srinivas A. Kandadai, William Chiuman, Yingfu Li

2006-05-09 Communication

DOI: 10.1039/B604682G

You might also like

Compound Q&A

What are the main uses of 1H-Indazole-6-carbonitrile (CAS: 141290-59-7)?

1H-Indazole-6-carbonitrile finds applications in pharmaceuticals, where it serve...

141290-59-71H-Indazole-6-carbon...
Compound Q&A

How should waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) be handled?

Waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) should be collecte...

2997-85-5Dioctyl (2E)-2-buten...
Compound Q&A

What industries use Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5)?

Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide is primarily used in pharmac...

68291-98-5Sodium [(1,2-benzoxa...
Compound Q&A

Are there alternatives to Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxylate (CAS: 741709-66-0) in synthesis?

Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxyla...

741709-66-0Dimethyl 4-(4,4,5,5-...
Compound Q&A

How should waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) be handled?

Waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) should be manage...

80714-39-22-Fluoro-6-hydrazino...
Compound Q&A

What is 6-Formyl-2-pyridinecarboxylic acid (CAS: 499214-11-8)?

6-Formyl-2-pyridinecarboxylic acid is an organic compound with the molecular for...

499214-11-86-Formyl-2-pyridinec...
900874-91-13-(3,4-dimethoxyphen...
Compound Q&A

How is 9H-Tribenzo[b,d,f]azepine (CAS: 29875-73-8) typically synthesized?

9H-Tribenzo[b,d,f]azepine is typically synthesized via a multi-step process invo...

29875-73-89H-Tribenzo[b,d,f]az...
Compound Q&A

How is 1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 1797982-51-4) typically synthesized?

1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxyli...

1797982-51-41-Cyclopropyl-7-etho...
Compound Q&A

How should waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: 671820-52-3) be handled?

Waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: ...

671820-52-3Methyl 3-oxo-1,2,3,4...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.