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You searched for: Journal Journal of the American Chemical Society Remove constraint Journal: Journal of the American Chemical Society Subject methanol Remove constraint Subject: methanol
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1. Atomic View of Aqueous Cyclosporine A: Unpacking a Decades-Old Mystery

Author:
Miranda N. Limbach; Aleksandra Antevska; Damilola S. Oluwatoba; Amber L. H. Gray; Xian B. Carroll; Christina M. Hoffmann; Xiaoping Wang; Markus W. Voehler; Carlos A. Steren; Thanh D. Do
Source:
Journal of the American Chemical Society 2022 v.144 no.28 pp. 12602-12607
ISSN:
1520-5126
Subject:
X-radiation; amides; cyclosporine; hydrogen bonding; ligands; membrane permeability; methanol; neutron diffraction; nuclear magnetic resonance spectroscopy; titration; water solubility
Abstract:
... An atomic view of a main aqueous conformation of cyclosporine A (CycA), an important 11-amino-acid macrocyclic immunosuppressant, is reported. For decades, it has been a grand challenge to determine the conformation of free CycA in an aqueous-like solution given its poor water solubility. Using a combination of X-ray and single-crystal neutron diffraction, we unambiguously resolve a unique conform ...
DOI:
10.1021/jacs.2c01743

2. Core–Shell Covalently Linked Graphitic Carbon Nitride–Melamine–Resorcinol–Formaldehyde Microsphere Polymers for Efficient Photocatalytic CO₂ Reduction to Methanol

Author:
Jie Ding; Qingli Tang; Yanghe Fu; Yulong Zhang; Juanmin Hu; Tong Li; Qin Zhong; Maohong Fan; Harold H. Kung
Source:
Journal of the American Chemical Society 2022 v.144 no.22 pp. 9576-9585
ISSN:
1520-5126
Subject:
X-ray photoelectron spectroscopy; active sites; carbon dioxide; carbon nitride; chemical bonding; climate; graphene; methanol; microparticles; photocatalysis; photocatalysts; photons; semiconductors; temperature; toxicity; transmission electron microscopy
Abstract:
... Photocatalytic reduction of CO₂ with light and H₂O to form CH₃OH is a promising route to mitigate carbon emissions and climate changes. Although semiconducting metal oxides are potential photocatalysts for this reaction, low photon efficiency and leaching of environmentally unfriendly toxic metals limit their applicability. Here, we report metal-free, core–shell photocatalysts consisting of graphi ...
DOI:
10.1021/jacs.1c13301

3. Disentangling Electronic and Geometric Effects in Electrocatalysis through Substitution in Isostructural Intermetallic Compounds

Author:
Ridha Zerdoumi; Oksana Matselko; Leonard Rößner; Bidushi Sarkar; Yuri Grin; Marc Armbrüster
Source:
Journal of the American Chemical Society 2022 v.144 no.18 pp. 8379-8388
ISSN:
1520-5126
Subject:
gallium; indium; methanol; oxidation; tin
Abstract:
... Efficient development of catalytic materials requires knowledge of the decisive parameters defining the catalytic properties. In multicomponent metallic catalysts, these are categorized as electronic and geometric effects, yet they are strongly interrelated. A systematic disentanglement can be achieved by fixing one parameter while altering the other, which becomes possible through the substitutio ...
DOI:
10.1021/jacs.2c03348

4. Distortion of the [FeNO]₂ Core in Flavodiiron Nitric Oxide Reductase Models Inhibits N–N Bond Formation and Promotes Formation of Unusual Dinitrosyl Iron Complexes: Implications for Catalysis and Reactivity

Author:
Corey J. White; Michael O. Lengel; Abigail J. Bracken; Jeff W. Kampf; Amy L. Speelman; E. Ercan Alp; Michael Y. Hu; Jiyong Zhao; Nicolai Lehnert
Source:
Journal of the American Chemical Society 2022 v.144 no.9 pp. 3804-3820
ISSN:
1520-5126
Subject:
active sites; catalytic activity; humans; immune response; ligands; methanol; nitric oxide; nitrous oxide; oxidoreductases; propionic acid; toxicity
Abstract:
... Flavodiiron nitric oxide reductases (FNORs) carry out the reduction of nitric oxide (NO) to nitrous oxide (N₂O), allowing infectious pathogens to mitigate toxic levels of NO generated in the human immune response. We previously reported the model complex [Fe₂(BPMP)(OPr)(NO)₂](OTf)₂ (1, OPr– = propionate) that contains two coplanar NO ligands and that is capable of quantitative NO reduction to N₂O ...
DOI:
10.1021/jacs.1c10388

5. Elevating Photooxidation of Methane to Formaldehyde via TiO₂ Crystal Phase Engineering

Author:
Yuheng Jiang; Wenshi Zhao; Siyang Li; Shikun Wang; Yingying Fan; Fei Wang; Xueying Qiu; Yanfei Zhu; Yin Zhang; Chang Long; Zhiyong Tang
Source:
Journal of the American Chemical Society 2022 v.144 no.35 pp. 15977-15987
ISSN:
1520-5126
Subject:
ambient temperature; catalysts; formaldehyde; irradiation; methane; methanol; oxygen; photocatalysis; photooxidation; solvents; value added
Abstract:
... Photocatalytic conversion of methane to value-added products under mild conditions, which represents a long sought-after goal for industrial sustainable production, remains extremely challenging to afford high production and selectivity using cheap catalysts. Herein, we present the crystal phase engineering of commercially available anatase TiO₂ via simple thermal annealing to optimize the structu ...
DOI:
10.1021/jacs.2c04884

6. Highly Dispersed Platinum Chlorine Atoms Anchored on Gold Quantum Dots for a Highly Efficient Electrocatalyst

Author:
Lan Hui; Xueting Zhang; Yurui Xue; Xi Chen; Yan Fang; Chengyu Xing; Yuxin Liu; Xuchen Zheng; Yuncheng Du; Chao Zhang; Feng He; Yuliang Li
Source:
Journal of the American Chemical Society 2022 v.144 no.4 pp. 1921-1928
ISSN:
1520-5126
Subject:
catalysts; catalytic activity; chlorine; ethanol; gold; methanol; oxidation; platinum
Abstract:
... The development of efficient and durable electrocatalysts is the only way to achieve commercial fuel cells. A new, efficient method was utilized for epitaxial growth of gold quantum dots using atomically platinum chlorine species with porous graphdiyne as a support (PtCl₂Au(111)/GDY), for obtaining successful multicomponent quantum dots with a size of 2.37 nm. The electrocatalyst showed a high mas ...
DOI:
10.1021/jacs.1c12310

7. Hydrogenation of Formate Species Using Atomic Hydrogen on a Cu(111) Model Catalyst

Author:
Kotaro Takeyasu; Yasutaka Sawaki; Takumi Imabayashi; Septia Eka Marsha Putra; Harry Handoko Halim; Jiamei Quan; Yuji Hamamoto; Ikutaro Hamada; Yoshitada Morikawa; Takahiro Kondo; Tadahiro Fujitani; Junji Nakamura
Source:
Journal of the American Chemical Society 2022 v.144 no.27 pp. 12158-12166
ISSN:
1520-5126
Subject:
absorption; activation energy; carbon dioxide; catalysts; density functional theory; desorption; formaldehyde; formates; hydrogen; hydrogenation; methanol; reaction mechanisms; spectroscopy
Abstract:
... The reaction mechanism of the CH₃OH synthesis by the hydrogenation of CO₂ on Cu catalysts is unclear because of the challenge in experimentally detecting reaction intermediates formed by the hydrogenation of adsorbed formate (HCOOₐ). Thus, the objective of this study is to clarify the reaction mechanism of the CH₃OH synthesis by establishing the kinetic natures of intermediates formed by the hydro ...
DOI:
10.1021/jacs.2c02797

8. Peroxide-Selective Reduction of O₂ at Redox-Inactive Rare-Earth(III) Triflates Generates an Ambiphilic Peroxide

Author:
Matthew J. Lueckheide; Mehmed Z. Ertem; Michael A. Michon; Pawel Chmielniak; Jerome R. Robinson
Source:
Journal of the American Chemical Society 2022 v.144 no.37 pp. 17295-17306
ISSN:
1520-5126
Subject:
Lewis acids; Lewis bases; Raman spectroscopy; X-ray diffraction; acidity; catalytic activity; electron transfer; ethylene glycol; methanol; nuclear magnetic resonance spectroscopy; oxygen; praseodymium; reducing agents; thermal stability
Abstract:
... Metal peroxides are key species involved in a range of critical biological and synthetic processes. Rare-earth (group III and the lanthanides; Sc, Y, La–Lu) peroxides have been implicated as reactive intermediates in catalysis; however, reactivity studies of isolated, structurally characterized rare-earth peroxides have been limited. Herein, we report the peroxide-selective (93–99% O₂²⁻) reduction ...
DOI:
10.1021/jacs.2c08140

9. Rapid Screening of Bimetallic Electrocatalysts Using Single Nanoparticle Collision Electrochemistry

Author:
Huimin Li; Xuanxuan Zhang; Zehui Sun; Wei Ma
Source:
Journal of the American Chemical Society 2022 v.144 no.36 pp. 16480-16489
ISSN:
1520-5126
Subject:
electrochemistry; electroplating; methanol; nanocatalysts; nanoparticles; neonates; oxidation; oxygen
Abstract:
... The pace of nanomaterial discovery for high-performance electrocatalysts could be accelerated by the development of efficient screening methods. However, conventional electrochemical characterization via drop-casting is inherently inaccurate and time-consuming, as such ensemble measurements are serially performed through nanocatalyst synthesis, morphological characterization, and performance testi ...
DOI:
10.1021/jacs.2c05299

10. Reversible Methanolation of Metal Halide Perovskites

Author:
Bryan A. Rosales; Laura E. Mundt; Laura T. Schelhas; Lance M. Wheeler
Source:
Journal of the American Chemical Society 2022 v.144 no.2 pp. 667-672
ISSN:
1520-5126
Subject:
absorption; dissociation; energy; hydrogen bonding; light; memory; methanol; solar energy; temperature
Abstract:
... The low formation energies inherent in metal halide perovskites enable the structure to be easily broken and remade with little energy input. In this work, we leverage low formation energy to demonstrate 0D/3D structural transformations induced by reversible intercalation of methanol to yield dramatic control of visible light absorption. We identify a methanolated structure that features sheets of ...
DOI:
10.1021/jacs.1c10942

11. Spatiotemporal Coke Coupling Enhances para-Xylene Selectivity in Highly Stable MCM-22 Catalysts

Author:
Deependra Parmar; Seung Hyeok Cha; Taha Salavati-fard; Ankur Agarwal; Hsu Chiang; Seth M. Washburn; Jeremy C. Palmer; Lars C. Grabow; Jeffrey D. Rimer
Source:
Journal of the American Chemical Society 2022 v.144 no.17 pp. 7861-7870
ISSN:
1520-5126
Subject:
alkylation; catalysts; catalytic activity; density functional theory; feed conversion; methanol; molecular dynamics; toluene; topology; xylene; zeolites
Abstract:
... Identifying zeolite catalysts that can simultaneously optimize p-xylene selectivity and feed utilization is critical to toluene alkylation with methanol (TAM). Here, we show that zeolite MCM-22 (MWW) has an exceptional catalyst lifetime in the TAM reaction at high operating pressure, conversion, and selectivity. We systematically probe the catalytic behavior of active sites in distinct topological ...
DOI:
10.1021/jacs.2c01975

12. Ultrahigh Stable Methanol Oxidation Enabled by a High Hydroxyl Concentration on Pt Clusters/MXene Interfaces

Author:
Jiexin Zhu; Lixue Xia; Ruohan Yu; Ruihu Lu; Jiantao Li; Ruhan He; Yucai Wu; Wei Zhang; Xufeng Hong; Wei Chen; Yan Zhao; Liang Zhou; Liqiang Mai; Ziyun Wang
Source:
Journal of the American Chemical Society 2022 v.144 no.34 pp. 15529-15538
ISSN:
1520-5126
Subject:
adsorption; anodes; ethanol; ethylene glycol; fuels; glycerol; methanol; oxidation; platinum; spectroscopy; spray drying; thermodynamics
Abstract:
... Anchoring platinum catalysts on appropriate supports, e.g., MXenes, is a feasible pathway to achieve a desirable anode for direct methanol fuel cells. The authentic performance of Pt is often hindered by the occupancy and poisoning of active sites, weak interaction between Pt and supports, and the dissolution of Pt. Herein, we construct three-dimensional (3D) crumpled Ti₃C₂Tₓ MXene balls with abun ...
DOI:
10.1021/jacs.2c03982

13. Benchtop In Situ Measurement of Full Adsorption Isotherms by NMR

Author:
João Marreiros; Rodrigo de Oliveira-Silva; Paul Iacomi; Philip L. Llewellyn; Rob Ameloot; Dimitrios Sakellariou
Source:
Journal of the American Chemical Society 2021 v.143 no.22 pp. 8249-8254
ISSN:
1520-5126
Subject:
adsorbents; adsorption; chemical species; methanol; porous media; vapors
Abstract:
... Physisorption using gas or vapor probe molecules is the most common characterization technique for porous materials. The method provides textural information on the adsorbent as well as the affinity for a specific adsorbate, typically through equilibrium pressure measurements. Here, we demonstrate how low-field NMR can be used to measure full adsorption isotherms, and how by selectively measuring ...
DOI:
10.1021/jacs.1c03716

14. Catalytic Hydrogenation of CO₂ to Methanol Using Multinuclear Iridium Complexes in a Gas–Solid Phase Reaction

Author:
Ryoichi Kanega; Naoya Onishi; Shinji Tanaka; Haruo Kishimoto; Yuichiro Himeda
Source:
Journal of the American Chemical Society 2021 v.143 no.3 pp. 1570-1576
ISSN:
1520-5126
Subject:
carbon dioxide; catalysts; formic acid; hydrides; hydrogenation; iridium; methanol; temperature
Abstract:
... We report a novel approach toward the catalytic hydrogenation of CO₂ to methanol performed in the gas–solid phase using multinuclear iridium complexes at low temperature (30–80 °C). Although homogeneous CO₂ hydrogenation in water catalyzed by amide-based iridium catalysts provided only a negligible amount of methanol, the combination of a multinuclear catalyst and gas–solid phase reaction conditio ...
DOI:
10.1021/jacs.0c11927

15. Cesium-Induced Active Sites for C–C Coupling and Ethanol Synthesis from CO₂ Hydrogenation on Cu/ZnO(0001̅) Surfaces

Author:
Xuelong Wang; Pedro J. Ramírez; Wenjie Liao; José A. Rodriguez; Ping Liu
Source:
Journal of the American Chemical Society 2021 v.143 no.33 pp. 13103-13112
ISSN:
1520-5126
Subject:
X-ray photoelectron spectroscopy; air pollutants; carbon dioxide; catalysts; catalytic activity; density functional theory; ethanol; formates; hydrogenation; methanol; reaction mechanisms
Abstract:
... The efficient conversion of carbon dioxide, a major air pollutant, into ethanol or higher alcohols is a big challenge in heterogeneous catalysis, generating great interest in both basic scientific research and commercial applications. Here, we report the facilitated methanol synthesis and the enabled ethanol synthesis from carbon dioxide hydrogenation on a catalyst generated by codepositing Cs and ...
DOI:
10.1021/jacs.1c03940

16. Contra-Thermodynamic Positional Isomerization of Olefins

Author:
Kuo Zhao; Robert R. Knowles
Source:
Journal of the American Chemical Society 2021 v.144 no.1 pp. 137-144
ISSN:
1520-5126
Subject:
enols; isomers; methanol; olefin; oxidants; oxidation; positional isomerization; regioselectivity; thermodynamics
Abstract:
... A light-driven method for the contra-thermodynamic positional isomerization of olefins is described. In this work, stepwise PCET activation of a more substituted and more thermodynamically stable olefin substrate is mediated by an excited-state oxidant and a Brønsted base to afford an allylic radical that is captured by a Cr(II) cocatalyst to furnish an allylchromium(III) intermediate. In situ pro ...
DOI:
10.1021/jacs.1c11681

17. Cooperative Motion in Water–Methanol Clusters Controls the Reaction Rates of Heterogeneous Photocatalytic Reactions

Author:
Bei-Bei Xu; Min Zhou; Man Ye; Ling-Yun Yang; Hai-Feng Wang; Xue Lu Wang; Ye-Feng Yao
Source:
Journal of the American Chemical Society 2021 v.143 no.29 pp. 10940-10947
ISSN:
1520-5126
Subject:
density functional theory; hydrogen; methanol; molecular dynamics; nuclear magnetic resonance spectroscopy; photocatalysis; photocatalysts
Abstract:
... Detailed information about the influences of the cooperative motion of water and methanol molecules on practical solid–liquid heterogeneous photocatalysis reactions is critical for our understanding of photocatalytic reactions. The present work addresses this issue by applying operando nuclear magnetic resonance (NMR) spectroscopy, in conjunction with density functional theory (DFT) calculations a ...
DOI:
10.1021/jacs.1c02128

18. Copper Centers in the Cryo-EM Structure of Particulate Methane Monooxygenase Reveal the Catalytic Machinery of Methane Oxidation

Author:
W.-H. Chang; H.-H. Lin; I-K. Tsai; S.-H. Huang; S.-C. Chung; I-P. Tu; S. S.-F. Yu; S. I. Chan
Source:
Journal of the American Chemical Society 2021 v.143 no.26 pp. 9922-9932
ISSN:
1520-5126
Subject:
Methylococcus capsulatus; X-radiation; active sites; ambient temperature; biochemical pathways; methane; methane monooxygenase (particulate); methanol; methanotrophs; oxidation
Abstract:
... The particulate methane monooxygenase (pMMO) is the first enzyme in the C1 metabolic pathway in methanotrophic bacteria. As this enzyme converts methane into methanol efficiently near room temperature, it has become the paradigm for developing an understanding of this difficult C1 chemistry. pMMO is a membrane-bound protein with three subunits (PmoB, PmoA, and PmoC) and 12–14 coppers distributed a ...
DOI:
10.1021/jacs.1c04082

19. Deciphering Metal–Oxide and Metal–Metal Interplay via Surface Organometallic Chemistry: A Case Study with CO₂ Hydrogenation to Methanol

Author:
Scott R. Docherty; Christophe Copéret
Source:
Journal of the American Chemical Society 2021 v.143 no.18 pp. 6767-6780
ISSN:
1520-5126
Subject:
carbon dioxide; case studies; hydrogenation; methanol
Abstract:
... Processes that rely on heterogeneous catalysts underpin the production of bulk chemicals and fuels. In spite of this, understanding of the interplay between the structure and reactivity of these complex materials remains elusive—rendering rational improvement of existing systems challenging. Herein, we describe efforts to understand complex materials capable of selective thermochemical conversion ...
DOI:
10.1021/jacs.1c02555

20. Direct Observation of Solvent–Reaction Intermediate Interactions in Heterogeneously Catalyzed Alcohol Coupling

Author:
Eri Muramoto; Dipna A. Patel; Wei Chen; Philippe Sautet; E. Charles H. Sykes; Robert J. Madix
Source:
Journal of the American Chemical Society 2022 v.144 no.38 pp. 17387-17398
ISSN:
1520-5126
Subject:
catalysts; catalytic activity; density functional theory; energy; gold; hydrogen bonding; liquids; methanol; microscopy; selectivity (chemistry); solvents; van der Waals forces
Abstract:
... The relative stability of reactive intermediates and reactants on a surface, which dictates the rate and selectivity of catalytic reactions in both gas and liquid phases, is dependent on numerous factors. One well-established example is secondary interactions, such as van der Waals interactions between the catalyst surface and the pendant group of the intermediate, which can govern reaction select ...
DOI:
10.1021/jacs.2c02199

21. Efficient Base-Free Aqueous Reforming of Methanol Homogeneously Catalyzed by Ruthenium Exhibiting a Remarkable Acceleration by Added Catalytic Thiol

Author:
Jie Luo; Sayan Kar; Michael Rauch; Michael Montag; Yehoshoa Ben-David; David Milstein
Source:
Journal of the American Chemical Society 2021 v.143 no.41 pp. 17284-17291
ISSN:
1520-5126
Subject:
catalytic activity; hydrogen; ligands; methanol; ruthenium; thiols
Abstract:
... Production of H₂ by methanol reforming is of particular interest due the low cost, ready availability, and high hydrogen content of methanol. However, most current methods either require very high temperatures and pressures or strongly rely on the utilization of large amounts of base. Here we report an efficient, base-free aqueous-phase reforming of methanol homogeneously catalyzed by an acridine- ...
DOI:
10.1021/jacs.1c09007

22. Engineering Second Sphere Interactions in a Host–Guest Multicomponent Catalyst System for the Hydrogenation of Carbon Dioxide to Methanol

Author:
Thomas M. Rayder; Adam T. Bensalah; Banruo Li; Jeffery A. Byers; Chia-Kuang Tsung
Source:
Journal of the American Chemical Society 2021 v.143 no.3 pp. 1630-1640
ISSN:
1520-5126
Subject:
ammonium; carbon dioxide; catalysts; catalytic activity; coordination polymers; encapsulation; formic acid; hydrogenation; isotopes; methanol; ruthenium; zirconium oxide
Abstract:
... Many enzymes utilize interactions extending beyond the primary coordination sphere to enhance catalyst activity and/or selectivity. Such interactions could improve the efficacy of synthetic catalyst systems, but the supramolecular assemblies employed by biology to incorporate second sphere interactions are challenging to replicate in synthetic catalysts. Herein, a strategy is reported for efficien ...
DOI:
10.1021/jacs.0c08957

23. Insights into the Mechanism of Methanol Steam Reforming Tandem Reaction over CeO₂ Supported Single-Site Catalysts

Author:
Luning Chen; Zhiyuan Qi; Xinxing Peng; Jeng-Lung Chen; Chih-Wen Pao; Xibo Zhang; Chaochao Dun; Melissa Young; David Prendergast; Jeffrey J. Urban; Jinghua Guo; Gabor A. Somorjai; Ji Su
Source:
Journal of the American Chemical Society 2021 v.143 no.31 pp. 12074-12081
ISSN:
1520-5126
Subject:
activation energy; adsorption; carbon dioxide; catalysts; dehydrogenation; dissociation; hydrogen production; methanol; oxygen; reaction mechanisms; steam
Abstract:
... We demonstrated how the special synergy between a noble metal single site and neighboring oxygen vacancies provides an “ensemble reaction pool” for high hydrogen generation efficiency and carbon dioxide (CO₂) selectivity of a tandem reaction: methanol steam reforming. Specifically, the hydrogen generation rate over single site Ru₁/CeO₂ catalyst is up to 9360 mol H₂ per mol Ru per hour (579 mLH₂ gR ...
DOI:
10.1021/jacs.1c03895

24. Mechanistic Investigations of the Asymmetric Hydrogenation of Enamides with Neutral Bis(phosphine) Cobalt Precatalysts

Author:
Lauren N. Mendelsohn; Ljiljana Pavlovic; Hongyu Zhong; Max R. Friedfeld; Michael Shevlin; Kathrin H. Hopmann; Paul J. Chirik
Source:
Journal of the American Chemical Society 2022 v.144 no.34 pp. 15764-15778
ISSN:
1520-5126
Subject:
X-ray diffraction; catalysts; catalytic activity; cobalt; density functional theory; diastereomers; hydrogenation; isotopes; ligands; methanol; phosphine; stoichiometry
Abstract:
... The mechanism of the asymmetric hydrogenation of prochiral enamides by well-defined, neutral bis(phosphine) cobalt(0) and cobalt(II) precatalysts has been explored using(R,R)-ⁱᴾʳDuPhos ((R,R)-ⁱᴾʳDuPhos = (+)-1,2-bis[(2R,5R)-2,5-diisopropylphospholano]benzene) as a representative chiral bis(phosphine) ligand. A series of (R,R)-(ⁱᴾʳDuPhos)Co(enamide) (enamide = methyl-2-acetamidoacrylate (MAA), meth ...
DOI:
10.1021/jacs.2c06454

25. Methanol Synthesis from CO₂/CO Mixture on Cu–Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search

Author:
Yun-Fei Shi; Pei-Lin Kang; Cheng Shang; Zhi-Pan Liu
Source:
Journal of the American Chemical Society 2022 v.144 no.29 pp. 13401-13414
ISSN:
1520-5126
Subject:
active sites; carbon dioxide; catalysts; energy; hydrogenation; isotopes; methanol; reaction kinetics; thermodynamics
Abstract:
... Methanol synthesis on industrial Cu/ZnO/Al₂O₃ catalysts via the hydrogenation of CO and CO₂ mixture, despite several decades of research, is still puzzling due to the nature of the active site and the role of CO₂ in the feed gas. Herein, with the large-scale machine learning atomic simulation, we develop a microkinetics-guided machine learning pathway search to explore thousands of reaction pathwa ...
DOI:
10.1021/jacs.2c06044

26. Microchemical Engineering in a 3D Ordered Channel Enhances Electrocatalysis

Author:
Qing-Xia Chen; Ying-Huan Liu; Zhen He; Jin-Long Wang; Jian-Wei Liu; Hui-Jun Jiang; Wei-Ran Huang; Guan-Yin Gao; Zhong-Huai Hou; Shu-Hong Yu
Source:
Journal of the American Chemical Society 2021 v.143 no.32 pp. 12600-12608
ISSN:
1520-5126
Subject:
catalysts; electrodes; kinetics; mass transfer; methanol; oxidation; prediction
Abstract:
... The kinetics of electrode reactions including mass transfer and surface reaction is essential in electrocatalysis, as it strongly determines the apparent reaction rates, especially on nanostructured electrocatalysts. However, important challenges still remain in optimizing the kinetics of given catalysts with suitable constituents, morphology, and crystalline design to maximize the electrocatalyti ...
DOI:
10.1021/jacs.1c04653

27. Modulating the Molecular Geometry and Solution Self-Assembly of Amphiphilic Polypeptoid Block Copolymers by Side Chain Branching Pattern

Author:
Liying Kang; Albert Chao; Meng Zhang; Tianyi Yu; Jun Wang; Qi Wang; Huihui Yu; Naisheng Jiang; Donghui Zhang
Source:
Journal of the American Chemical Society 2021 v.143 no.15 pp. 5890-5902
ISSN:
1520-5126
Subject:
X-radiation; composite polymers; crystal structure; crystallization; geometry; liquids; methanol; nanosheets; sarcosines
Abstract:
... Solution self-assembly of coil-crystalline diblock copolypeptoids has attracted increasing attention due to its capability to form hierarchical nanostructures with tailorable morphologies and functionalities. While the N-substituent (or side chain) structures are known to affect the crystallization of polypeptoids, their roles in dictating the hierarchical solution self-assembly of diblock copolyp ...
DOI:
10.1021/jacs.1c01088

28. Nitrocarbamoyl Azide O₂NN(H)C(O)N₃: A Stable but Highly Energetic Member of the Carbonyl Azide Family

Author:
Maximilian Benz; Thomas M. Klapötke; Burkhard Krumm; Marcus Lommel; Jörg Stierstorfer
Source:
Journal of the American Chemical Society 2021 v.143 no.3 pp. 1323-1327
ISSN:
1520-5126
Subject:
azides; deprotonation; hydrazine; methanol; spectroscopy
Abstract:
... The diazotization of nitrosemicarbazide (1) resulted in the formation and isolation of nitrocarbamoyl azide (2), which was thoroughly characterized by spectroscopic and structural methods. This compound shows surprising stability but also high reactivity and sensitivity, with a melting point of 72 °C and a detonative decomposition point at 83 °C. In addition, five selected salts were synthesized b ...
DOI:
10.1021/jacs.0c12507

29. Oxidative Cleavage of Alkenes by O₂ with a Non-Heme Manganese Catalyst

Author:
Zhiliang Huang; Renpeng Guan; Muralidharan Shanmugam; Elliot L. Bennett; Craig M. Robertson; Adam Brookfield; Eric J. L. McInnes; Jianliang Xiao
Source:
Journal of the American Chemical Society 2021 v.143 no.26 pp. 10005-10013
ISSN:
1520-5126
Subject:
alkenes; atmospheric pressure; catalysts; heme; manganese; methanol; oxidation; oxygen; solvents
Abstract:
... The oxidative cleavage of C═C double bonds with molecular oxygen to produce carbonyl compounds is an important transformation in chemical and pharmaceutical synthesis. In nature, enzymes containing the first-row transition metals, particularly heme and non-heme iron-dependent enzymes, readily activate O₂ and oxidatively cleave C═C bonds with exquisite precision under ambient conditions. The reacti ...
DOI:
10.1021/jacs.1c05757

30. Pendent Relay Enhances H₂O₂ Selectivity during Dioxygen Reduction Mediated by Bipyridine-Based Co–N₂O₂ Complexes

Author:
Asa W. Nichols; Emma N. Cook; Yunqiao J. Gan; Peter R. Miedaner; Julia M. Dressel; Diane A. Dickie; Hannah S. Shafaat; Charles W. Machan
Source:
Journal of the American Chemical Society 2021 v.143 no.33 pp. 13065-13073
ISSN:
1520-5126
Subject:
acetic acid; acetonitrile; electrochemistry; hydrogen peroxide; ligands; methanol; oxygen; protonation; reducing agents
Abstract:
... Generally, cobalt–N₂O₂ complexes show selectivity for hydrogen peroxide during electrochemical dioxygen (O₂) reduction. We recently reported a Co(III)–N₂O₂ complex with a 2,2′-bipyridine-based ligand backbone which showed alternative selectivity: H₂O was observed as the primary reduction product from O₂ (71 ± 5%) with decamethylferrocene as a chemical reductant and acetic acid as a proton donor in ...
DOI:
10.1021/jacs.1c03381

31. Robust Angular Anisotropy of Circularly Polarized Luminescence from a Single Twisted-Bipolar Polymeric Microsphere

Author:
Osamu Oki; Chidambar Kulkarni; Hiroshi Yamagishi; Stefan C. J. Meskers; Zhan-Hong Lin; Jer-Shing Huang; E. W. Meijer; Yohei Yamamoto
Source:
Journal of the American Chemical Society 2021 v.143 no.23 pp. 8772-8779
ISSN:
1520-5126
Subject:
anisotropy; liquids; luminescence; methanol; microparticles; photons; polymers; separation
Abstract:
... It has long been surmised that the circular polarization of luminescence (CPL) emitted by a chiral molecule or a molecular assembly should vary with the direction in which the photon is emitted. Despite its potential utility, this anisotropic CPL has not yet been demonstrated at the level of single molecules or supramolecular assemblies. Here we show that conjugated polymers bearing chiral side ch ...
DOI:
10.1021/jacs.1c03185

32. Spectroscopic Definition of a Highly Reactive Site in Cu-CHA for Selective Methane Oxidation: Tuning a Mono-μ-Oxo Dicopper(II) Active Site for Reactivity

Author:
Hannah M. Rhoda; Dieter Plessers; Alexander J. Heyer; Max L. Bols; Robert A. Schoonheydt; Bert F. Sels; Edward I. Solomon
Source:
Journal of the American Chemical Society 2021 v.143 no.19 pp. 7531-7540
ISSN:
1520-5126
Subject:
Raman spectroscopy; active sites; geometry; methane; methanol; oxidation; temperature; zeolites
Abstract:
... Using UV–vis and resonance Raman spectroscopy, we identify a [Cu₂O]²⁺ active site in O₂ and N₂O activated Cu-CHA that reacts with methane to form methanol at low temperature. The Cu–O–Cu angle (120°) is smaller than that for the [Cu₂O]²⁺ core on Cu-MFI (140°), and its coordination geometry to the zeolite lattice is different. Site-selective kinetics obtained by operando UV–vis show that the [Cu₂O] ...
DOI:
10.1021/jacs.1c02835

33. Stepwise Iodide-Free Methanol Carbonylation via Methyl Acetate Activation by Pincer Iridium Complexes

Author:
Changho Yoo; Alexander J. M. Miller
Source:
Journal of the American Chemical Society 2021 v.143 no.32 pp. 12633-12643
ISSN:
1520-5126
Subject:
acetates; acetic acid; carbon-hydrogen bond activation; catalysts; corrosion; iodides; iridium; methanol; methyl iodide; methylation; nitrogen; solvents
Abstract:
... Iodide is an essential promoter in the industrial production of acetic acid via methanol carbonylation, but it also contributes to reactor corrosion and catalyst deactivation. Here we report that iridium pincer complexes mediate the individual steps of methanol carbonylation to methyl acetate in the absence of methyl iodide or iodide salts. Iodide-free methylation is achieved under mild conditions ...
DOI:
10.1021/jacs.1c05185

34. Structure–Spectroscopy Correlations for Intermediate Q of Soluble Methane Monooxygenase: Insights from QM/MM Calculations

Author:
Christine E. Schulz; Rebeca G. Castillo; Dimitrios A. Pantazis; Serena DeBeer; Frank Neese
Source:
Journal of the American Chemical Society 2021 v.143 no.17 pp. 6560-6577
ISSN:
1520-5126
Subject:
X-ray absorption spectroscopy; geometry; hydrogen; methane; methane monooxygenase (soluble); methanol; quantum mechanics; reaction mechanisms; spectral analysis; topology
Abstract:
... The determination of the diiron core intermediate structures involved in the catalytic cycle of soluble methane monooxygenase (sMMO), the enzyme that selectively catalyzes the conversion of methane to methanol, has been a subject of intense interest within the bioinorganic scientific community. Particularly, the specific geometry and electronic structure of the intermediate that precedes methane b ...
DOI:
10.1021/jacs.1c01180

35. Triggering Water and Methanol Activation for Solar-Driven H₂ Production: Interplay of Dual Active Sites over Plasmonic ZnCu Alloy

Author:
Shunqin Luo; Huiwen Lin; Qi Wang; Xiaohui Ren; David Hernández-Pinilla; Tadaaki Nagao; Yao Xie; Gaoliang Yang; Sijie Li; Hui Song; Mitsutake Oshikiri; Jinhua Ye
Source:
Journal of the American Chemical Society 2021 v.143 no.31 pp. 12145-12153
ISSN:
1520-5126
Subject:
activation energy; alloys; catalysts; copper nanoparticles; energy conversion; heat; hydrogen; irradiation; methanol; photocatalysis; solar energy; steam; temperature; thermal energy; transportation
Abstract:
... Methanol steam reforming (MSR) is a promising reaction that enables efficient production and safe transportation of hydrogen, but it requires a relatively high temperature to achieve high activity, leading to large energy consumption. Here, we report a plasmonic ZnCu alloy catalyst, consisting of plasmonic Cu nanoparticles with surface-deposited Zn atoms, for efficient solar-driven MSR without add ...
DOI:
10.1021/jacs.1c04315

36. Unified Approach to Imidodiphosphate-Type Brønsted Acids with Tunable Confinement and Acidity

Author:
Sebastian A. Schwengers; Chandra Kanta De; Oleg Grossmann; Joyce A. A. Grimm; Natascha R. Sadlowski; Gabriela G. Gerosa; Benjamin List
Source:
Journal of the American Chemical Society 2021 v.143 no.36 pp. 14835-14844
ISSN:
1520-5126
Subject:
Lewis acids; acidity; active sites; catalysts; chlorides; enantioselectivity; methanol; sulfides
Abstract:
... We have designed and realized an efficient and operationally simple single-flask synthesis of imidodiphosphate-based Brønsted acids. The methodology proceeds via consecutive chloride substitutions of hexachlorobisphosphazonium salts, providing rapid access to imidodiphosphates (IDP), iminoimidodiphosphates (iIDP), and imidodiphosphorimidates (IDPi). These privileged acid catalysts feature a broad ...
DOI:
10.1021/jacs.1c07067

37. Voltage-Gated Electrocatalysis of Efficient and Selective Methane Oxidation by Tricopper Clusters under Ambient Conditions

Author:
Yi-Fang Tsai; Thiyagarajan Natarajan; Zhi-Han Lin; I-Kuen Tsai; Damodar Janmanchi; Sunney I. Chan; Steve S.-F. Yu
Source:
Journal of the American Chemical Society 2022 v.144 no.22 pp. 9695-9706
ISSN:
1520-5126
Subject:
electrodes; methane; methanol; oxidation; oxygen
Abstract:
... Selective methane oxidation is difficult chemistry. Here we describe a strategy for the electrocatalysis of selective methane oxidation by immobilizing tricopper catalysts on the cathodic surface. In the presence of dioxygen and methane, the activation of these catalysts above a threshold cathodic potential can initiate the dioxygen chemistry for O atom transfer to methane. The catalytic turnover ...
DOI:
10.1021/jacs.2c01169

38. Water-Assisted Proton Transfer in the Sequential Hydration of Benzonitrile Radical Cation C₆H₅CN•⁺(H₂O)ₙ: Transition to Hydrated Distonic Cation •C₆H₄CNH⁺(H₂O)ₙ with n ≥ 4

Author:
Kyle A. Mason; Adam C. Pearcy; Zachary A. Christensen; Isaac K. Attah; Michael Meot-Ner (Mautner); M. Samy El-Shall
Source:
Journal of the American Chemical Society 2022 v.144 no.22 pp. 9684-9694
ISSN:
1520-5126
Subject:
benzene; carbon; cations; density functional theory; endothermy; energy; heat production; hydrogen; methanol; nitrogen; solvents
Abstract:
... The stepwise hydration of the benzonitrile•⁺ radical cation with one–seven H₂O molecules was investigated experimentally and computationally with density functional theory in C₆H₅CN•⁺(H₂O)ₙ clusters. The stepwise binding energies (ΔHₙ–₁,ₙ°) were determined by equilibrium measurements for C₆H₅CN•⁺(H₂O) and for •C₆H₄CNH⁺(H₂O)ₙ with n = 5, 6, and 7 to be 8.8 and 11.3, 11.0, and 10.0 kcal/mol, respect ...
DOI:
10.1021/jacs.2c01143

39. Atomically Dispersed Ni/α-MoC Catalyst for Hydrogen Production from Methanol/Water

Author:
Lili Lin; Qiaolin Yu; Mi Peng; Aowen Li; Siyu Yao; Shuheng Tian; Xi Liu; Ang Li; Zheng Jiang; Rui Gao; Xiaodong Han; Yong-wang Li; Xiao-dong Wen; Wu Zhou; Ding Ma
Source:
Journal of the American Chemical Society 2020 v.143 no.1 pp. 309-317
ISSN:
1520-5126
Subject:
active sites; carbon; catalysts; dissociation; hydrogen; hydrogen production; methanol; transportation
Abstract:
... Methanol–water reforming is a promising solution for H₂ production/transportation in stationary and mobile hydrogen applications. Developing inexpensive catalysts with sufficiently high activity, selectivity, and stability remains challenging. In this paper, nickel-supported over face-centered cubic (fcc) phase α-MoC has been discovered to exhibit extraordinary hydrogen production activity in the ...
DOI:
10.1021/jacs.0c10776

40. Beyond Radical Rebound: Methane Oxidation to Methanol Catalyzed by Iron Species in Metal–Organic Framework Nodes

Author:
Matthew C. Simons; Steven D. Prinslow; Melike Babucci; Adam S. Hoffman; Jiyun Hong; Jenny G. Vitillo; Simon R. Bare; Bruce C. Gates; Connie C. Lu; Laura Gagliardi; Aditya Bhan
Source:
Journal of the American Chemical Society 2021 v.143 no.31 pp. 12165-12174
ISSN:
1520-5126
Subject:
coordination polymers; density functional theory; feedstocks; hydrogen; methane; methanol; oxidation; zeolites
Abstract:
... Recent work has exploited the ability of metal–organic frameworks (MOFs) to isolate Fe sites that mimic the structures of sites in enzymes that catalyze selective oxidations at low temperatures, opening new pathways for the valorization of underutilized feedstocks such as methane. Questions remain as to whether the radical-rebound mechanism commonly invoked in enzymatic and homogeneous systems als ...
DOI:
10.1021/jacs.1c04766

41. Binary Au–Cu Reaction Sites Decorated ZnO for Selective Methane Oxidation to C1 Oxygenates with Nearly 100% Selectivity at Room Temperature

Author:
Lei Luo; Zhuyu Gong; Youxun Xu; Jiani Ma; Huifen Liu; Jialiang Xing; Junwang Tang
Source:
Journal of the American Chemical Society 2021 v.144 no.2 pp. 740-750
ISSN:
1520-5126
Subject:
ambient temperature; chemical industry; liquids; methane; methanol; oxidants; oxidation; photocatalysis; photocatalysts
Abstract:
... Direct and efficient oxidation of methane to methanol and the related liquid oxygenates provides a promising pathway for sustainable chemical industry, while still remaining an ongoing challenge owing to the dilemma between methane activation and overoxidation. Here, ZnO with highly dispersed dual Au and Cu species as cocatalysts enables efficient and selective photocatalytic conversion of methane ...
DOI:
10.1021/jacs.1c09141

42. CO₂ Bubble-Assisted Pt Exposure in PtFeNi Porous Film for High-Performance Zinc-Air Battery

Author:
Guanzhi Wang; Jinfa Chang; Supriya Koul; Akihiro Kushima; Yang Yang
Source:
Journal of the American Chemical Society 2021 v.143 no.30 pp. 11595-11601
ISSN:
1520-5126
Subject:
adsorption; batteries; carbon dioxide; desorption; durability; electric potential difference; electrochemistry; methanol; microstructure; nanopores; oxygen; platinum; renewable energy sources
Abstract:
... Fine-tuning the exposed active sites of platinum group metal (PGM)-based materials is an efficient way to improve their electrocatalytic performance toward large-scale applications in renewable energy devices such as Zn–air batteries (ZABs). However, traditional synthetic methods trade off durability for the high activity of PGM-based catalysts. Herein, a novel dynamic CO₂-bubble template (DCBT) a ...
DOI:
10.1021/jacs.1c04339

43. Cobalt-Catalyzed Asymmetric Hydrogenation of α,β-Unsaturated Carboxylic Acids by Homolytic H₂ Cleavage

Author:
Hongyu Zhong; Michael Shevlin; Paul J. Chirik
Source:
Journal of the American Chemical Society 2020 v.142 no.11 pp. 5272-5281
ISSN:
1520-5126
Subject:
acrylic acid; alkanes; amino acids; catalysts; catalytic activity; chemical bonding; cobalt; deuterium; enantiomers; enantioselectivity; heterolytic cleavage; homolytic cleavage; hydrogenation; isopropyl alcohol; methanol; nickel; phosphine; rhodium; ruthenium; solvents; stoichiometry
Abstract:
... The asymmetric hydrogenation of α,β-unsaturated carboxylic acids using readily prepared bis(phosphine) cobalt(0) 1,5-cyclooctadiene precatalysts is described. Di-, tri-, and tetra-substituted acrylic acid derivatives with various substitution patterns as well as dehydro-α-amino acid derivatives were hydrogenated with high yields and enantioselectivities, affording chiral carboxylic acids including ...
DOI:
10.1021/jacs.9b13876

44. Coordination of the Copper Centers in Particulate Methane Monooxygenase: Comparison between Methanotrophs and Characterization of the CuC Site by EPR and ENDOR Spectroscopies

Author:
Richard J. Jodts; Matthew O. Ross; Christopher W. Koo; Peter E. Doan; Amy C. Rosenzweig; Brian M. Hoffman
Source:
Journal of the American Chemical Society 2021 v.143 no.37 pp. 15358-15368
ISSN:
1520-5126
Subject:
Methylocystis; active sites; methane; methane monooxygenase (particulate); methane monooxygenase (soluble); methanol; methanotrophs
Abstract:
... In nature, methane is oxidized to methanol by two enzymes, the iron-dependent soluble methane monooxygenase (sMMO) and the copper-dependent particulate MMO (pMMO). While sMMO’s diiron metal active site is spectroscopically and structurally well-characterized, pMMO’s copper sites are not. Recent EPR and ENDOR studies have established the presence of two monocopper sites, but the coordination enviro ...
DOI:
10.1021/jacs.1c07018

45. Hydrogen-Intercalation-Induced Lattice Expansion of Pd@Pt Core–Shell Nanoparticles for Highly Efficient Electrocatalytic Alcohol Oxidation

Author:
Guigao Liu; Wei Zhou; Yiru Ji; Bo Chen; Gengtao Fu; Qinbai Yun; Shuangming Chen; Yunxiang Lin; Peng-Fei Yin; Xiaoya Cui; Jiawei Liu; Fanqi Meng; Qinghua Zhang; Li Song; Lin Gu; Hua Zhang
Source:
Journal of the American Chemical Society 2021 v.143 no.29 pp. 11262-11270
ISSN:
1520-5126
Subject:
adsorption; catalysts; catalytic activity; density functional theory; ethanol; hydrogen; methanol; oxidation
Abstract:
... Lattice engineering on specific facets of metal catalysts is critically important not only for the enhancement of their catalytic performance but also for deeply understanding the effect of facet-based lattice engineering on catalytic reactions. Here, we develop a facile two-step method for the lattice expansion on specific facets, i.e., Pt(100) and Pt(111), of Pt catalysts. We first prepare the P ...
DOI:
10.1021/jacs.1c05856

46. Influence of Defects and H₂O on the Hydrogenation of CO₂ to Methanol over Pt Nanoparticles in UiO-67 Metal–Organic Framework

Author:
Emil Sebastian Gutterød; Sri Harsha Pulumati; Gurpreet Kaur; Andrea Lazzarini; Bjørn Gading Solemsli; Anette Eleonora Gunnæs; Christian Ahoba-Sam; Maria Evangelou Kalyva; Johnny Andreas Sannes; Stian Svelle; Egill Skúlason; Ainara Nova; Unni Olsbye
Source:
Journal of the American Chemical Society 2020 v.142 no.40 pp. 17105-17118
ISSN:
1520-5126
Subject:
adsorption; carbon dioxide; catalysts; coordination polymers; density functional theory; desorption; hydrogenation; isotopes; methane; methane production; methanol; selectivity (chemistry)
Abstract:
... In catalysts for CO₂ hydrogenation, the interface between metal nanoparticles (NPs) and the support material is of high importance for the activity and reaction selectivity. In Pt NP-containing UiO Zr-metal–organic frameworks (MOFs), key intermediates in methanol formation are adsorbed at open Zr-sites at the Pt–MOF interface. In this study, we investigate the dynamic role of the Zr-node and the i ...
DOI:
10.1021/jacs.0c07153

47. Light Olefin Diffusion during the MTO Process on H-SAPO-34: A Complex Interplay of Molecular Factors

Author:
Pieter Cnudde; Ruben Demuynck; Steven Vandenbrande; Michel Waroquier; German Sastre; Veronique Van Speybroeck
Source:
Journal of the American Chemical Society 2020 v.142 no.13 pp. 6007-6017
ISSN:
1520-5126
Subject:
Bronsted acids; benzene; catalysts; density functional theory; ethylene; methanol; methylation; molecular dynamics; olefin; propylene; simulation models; zeolites
Abstract:
... The methanol-to-olefins process over H-SAPO-34 is characterized by its high shape selectivity toward light olefins. The catalyst is a supramolecular system consisting of nanometer-sized inorganic cages, decorated by Brønsted acid sites, in which organic compounds, mostly methylated benzene species, are trapped. These hydrocarbon pool species are essential to catalyze the methanol conversion but ma ...
DOI:
10.1021/jacs.9b10249

48. Mechanism of Methanol Decomposition over Single-Site Pt₁/CeO₂ Catalyst: A DRIFTS Study

Author:
Zhiyuan Qi; Luning Chen; Shuchen Zhang; Ji Su; Gabor A. Somorjai
Source:
Journal of the American Chemical Society 2020 v.143 no.1 pp. 60-64
ISSN:
1520-5126
Subject:
adsorption; catalysts; catalytic activity; dehydrogenation; methanol; nanoceria; reaction mechanisms
Abstract:
... Single-site catalysts have drawn broad attention in catalysis because of their maximum atomic utilization and unique catalytic performance. Early work in our group has shown a 40-fold higher activity of methanol decomposition over single-site Pt₁/CeO₂ catalyst than CeO₂ supported 2.5 nm Pt nanoparticles, while a molecular-level understanding of such enhancement is lacking. Herein, the reaction mec ...
DOI:
10.1021/jacs.0c10728

49. Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath)

Author:
Sunney I. Chan; Phimonphan Chuankhayan; Pavan Kumar Reddy Nareddy; I-Kuen Tsai; Yi-Fang Tsai; Kelvin H.-C. Chen; Steve S.-F. Yu; Chun-Jung Chen
Source:
Journal of the American Chemical Society 2021 v.143 no.9 pp. 3359-3372
ISSN:
1520-5126
Subject:
Methylococcus capsulatus; X-radiation; X-ray diffraction; absorption; active sites; calcium; cysteine; disulfide bonds; disulfides; hydrides; magnetism; methanol; oxidants; oxidation; oxidoreductases; quinones; thiols
Abstract:
... The active site of methanol dehydrogenase (MDH) contains a rare disulfide bridge between adjacent cysteine residues. As a vicinal disulfide, the structure is highly strained, suggesting it might work together with the pyrroloquinoline quinone (PQQ) prosthetic group and the Ca²⁺ ion in the catalytic turnover during methanol (CH₃OH) oxidation. We purify MDH from Methylococcus capsulatus (Bath) with ...
DOI:
10.1021/jacs.0c11414

50. Metal–Organic Frameworks with Hexakis(4-carboxyphenyl)benzene: Extensions to Reticular Chemistry and Introducing Foldable Nets

Author:
Francoise M. Amombo Noa; Erik Svensson Grape; Steffen M. Brülls; Ocean Cheung; Per Malmberg; A. Ken Inge; Christine J. McKenzie; Jerker Mårtensson; Lars Öhrström
Source:
Journal of the American Chemical Society 2020 v.142 no.20 pp. 9471-9481
ISSN:
1520-5126
Subject:
acetic acid; aromatic compounds; carbon dioxide; coordination polymers; copper; crystals; dimethylformamide; formic acid; gases; geometry; hydrogen bonding; iodine; mass spectrometry; methanol; models; nitrogen; sorption; surface area
Abstract:
... Nine metal–organic frameworks have been prepared with the hexagon-shaped linker 1,2,3,4,5,6-hexakis(4-carboxyphenyl)benzene (H₆cpb) by solvothermal reactions in dimethylformamide (dmf) or dimethylacetamide (dmac) with acetic acid or formic acid as modulators: [Bi₂(cpb)(acetato)₂(dmf)₂]·2dmf CTH-6 forms a rtl-net; 2(H₂NMe₂)[Cu₂(cpb)] CTH-7 forms a kgd-net; [Fe₄(cpb)(acetato)₂(dmf)₄] CTH-8 and [Co₄( ...
DOI:
10.1021/jacs.0c02984