Article
Chemistry, Multidisciplinary
Muhammad Asif Hussain, Eun Ju Choi, Adnan Maqbool, Muhammad Atif, Hassan Zeb, JaeGoo Yeo, Jung-A Yu, Yong-Hun Cho, Moses Noh, Jung Won Kim
Summary: A facile eco-friendly heterogeneous catalytic system has been developed for amide synthesis using Ru/MnO2 catalyst in water, showing outstanding activity for a wide range of nitriles and tolerance for heteroatom-containing nitriles. Pharmaceutically important compounds have been synthesized with appreciable yields and selectivities. The catalyst can be reused multiple times, demonstrating a green and technologically acceptable protocol.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2021)
Article
Chemistry, Physical
Yangyang Sun, Zhuzhu Tang, Tingze Pan, Ke Zhang, Liuzhu Wang, Xingye Zhai, Yiran Jia, Tianqi Yuan, Yujia Qian, Hualei Wang, Dongzhi Wei, Shengli Yang
Summary: Catalytic promiscuity enables nitrilase-mediated unnatural reactivity as a promising pathway for primary amide production. However, the trade-off between hydration activity and relative activity during the functional switch of nitrilase hinders its application. This study successfully alleviated the trade-off through an evolutionary combination of key sites, expanding the toolbox for nitrilase-catalysed promiscuity in amide formation.
MOLECULAR CATALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Wanghui Zhao, Gaomou Xu, Zhaochun He, Cheng Cai, Frank Abild-Pedersen, Tao Wang
Summary: In this study, a new theoretical strategy was proposed to achieve both facile CO dissociation and C/O hydrogenation on a catalyst by introducing confined dual active sites. The DFT-based microkinetic modeling showed that the designed Co-Cr2/G dual-site catalyst provided 4-6 orders of magnitude higher turnover frequency for CH4 production compared to cobalt step sites. We believe that this strategy will provide essential guidance for designing state-of-the-art methanation catalysts under mild conditions.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Organic
Yanwei Wu, Shanghui Xu, Hong Wang, Dongxu Shao, Qiqi Qi, Yi Lu, Li Ma, Jianhua Zhou, Wei Hu, Wei Gao, Jianbin Chen
Summary: A facile and sustainable electrochemical bromination protocol was developed without the use of catalysts and oxidants. By introducing directing groups, regioselectivity of pyridine derivatives could be controlled at the meta-position utilizing inexpensive and safe bromine salts at room temperature. This method allowed for the synthesis of a variety of brominated pyridine derivatives in 28-95% yields with the capability for gram-scale production.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Engineering, Multidisciplinary
Chao Ma, Zhenghong Guo, Zhengping Fang, Juan Li
Summary: The development of recycling methods for thermosetting resin is challenging due to their structure. In this study, a phenylphosphonate based epoxy monomer was prepared to regulate the flame retardancy and chemical degradation behavior of epoxy. The results showed that the introduction of phenylphosphonate into epoxy could improve its flame retardant and recyclable properties.
COMPOSITES PART B-ENGINEERING
(2022)
Article
Biotechnology & Applied Microbiology
Ke Zhang, Tingze Pan, Liuzhu Wang, Hualei Wang, Yuhong Ren, Dongzhi Wei
Summary: In this study, nitrilases with significant nitrile hydratase activity were screened for their potential in benzylic amide biosynthesis. NitPG from Paraburkholderia graminis DSM 17151 was identified as a nitrilase with broad hydration activity and the ability to produce a significant amount of mandelamide toward mandelonitrile. Factors affecting its hydration activity were also investigated. The findings provide insights into the enzymatic synthesis of benzylic amides for biotechnological applications.
BIOTECHNOLOGY LETTERS
(2022)
Article
Biotechnology & Applied Microbiology
Li Wang, Jiao Huang, Baocheng Cui, Er Mu, Changhai Liang
Summary: Our study focuses on the immobilization of a nitrile hydratase (NHase) for improved industrial applications. We successfully prepared Fe-3(PO4)(2) hybrid nanoflowers for NHase immobilization using a protein-inorganic hybrid self-assembly method. The resulting NHase@Fe-3(PO4)(2) nanoflowers showed enhanced tolerance to high temperatures and extreme pH environments compared to free NHase. The encapsulated NHase also exhibited higher substrate tolerance and better storage stability and reusability. These findings suggest that ferrous phosphate nanocrystals offer a novel strategy for the production of 5-cyanovaleramide (5-CVAM) with nanobiocatalytic systems.
LETTERS IN APPLIED MICROBIOLOGY
(2023)
Article
Chemistry, Physical
Runyou Ye, Maoshuai Zhu, Xufei Yan, Yang Long, Ying Xia, Xiangge Zhou
Summary: This study reveals a chelation-assisted palladium-catalyzed C=C bond cleavage reaction to form alkenyl nitrile, based on a formal group-exchange reaction. The isolated active Pd(II) complex and deuterium-labeled experiment confirm the necessity of the chelation group, proposing a plausible catalytic pathway.
Article
Chemistry, Physical
Christoffer Lind, Poonam Pandey, Richard W. Pastor, Alexander D. MacKerell
Summary: The study utilized SILCS methodology to investigate the distribution of various chemical solutes in phospholipid bilayers, revealing differences in the distribution of aliphatic versus aromatic groups and variations in the distribution of different polar groups. The results provide insights into the energetics of functional groups in different regions of the bilayers and offer a method for calculating permeability of multifunctional drug-like molecules.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Environmental Sciences
Grant B. Douglas, Ariane Ancel, Vincent Saille, Sebastien Lamontagne, Amiel Boullemant, Xavier Bourrat, Michael G. Trefry
Summary: Several years after decommissioning, a magnesium dross and mixed waste heap at a former industrial facility is still reactive, showing emissions of heat, VOCs, acetylene, cyanide, and ammonia. The waste heap consists of unreacted materials and hydrated secondary reaction products, with a CaO/MgO ratio serving as a useful proxy for temperature, pH, and gas concentrations. Measures such as capping and targeted venting are recommended to manage the environmental risk posed by the waste heap.
Article
Chemistry, Physical
Jin Goo Lee, Aaron B. Naden, Cristian D. Savaniu, Paul A. Connor, Julia L. Payne, Jonathan M. Skelton, Alexandra S. Gibbs, Jianing Hui, Stephen C. Parker, John T. S. Irvine
Summary: This study shows an enhanced proton conductivity of defective calcium titanate Ca0.92TiO2.84(OH)(0.16) prepared by replacing lattice oxygens with hydroxyl groups via a solvothermal route, exhibiting a bulk conductivity one order of magnitude higher than hydrated stoichiometric CaTiO3. Additionally, replacement of Ca2+ by Ni2+ in the Ca1-xTi1O3-2x(OH)(2)(x) is demonstrated, leading to the exsolution of metallic Ni nanoparticles along orthorhombic crystal planes upon reduction. These results suggest a new strategy for targeted energy applications by tailoring defect chemistry through hydration or cation doping followed by exsolution.
ADVANCED ENERGY MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Alexandra C. Brown, Daniel L. M. Suess
Summary: Attempts to generate open coordination sites for N2 binding at synthetic Fe-S clusters often result in cluster oligomerization. However, recent studies have shown that oligomerization reactions can be prevented by using sterically protective supporting ligands in Mo-Fe-S clusters, enabling N2 complex formation. This strategy has now been extended to Fe-only Fe-S clusters. Evaluation: 7 out of 10.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Environmental Sciences
M. J. Gotelli, A. Lo Balbo, G. M. Caballero, C. A. Gotelli
Summary: This work describes the successful decontamination of three parcels of a heavily polluted dump site in Buenos Aires province, Argentina, using persulfate oxidation activated with citric acid chelated Fe(II) to treat hexachorocyclohexane (HCH) in the soil.
ENVIRONMENTAL TECHNOLOGY
(2023)
Article
Engineering, Geological
Zhi Chong Lau, Abdelmalek Bouazza, Will P. Gates
Summary: This study investigates the hydration behaviour of polymer enhanced geosynthetic clay liners (GCLs) under isothermal and diurnal cyclical temperatures at a Melbourne landfill site. It was found that diurnal temperature cycling suppressed GCL hydration, limiting it to vapour phase hydration. The study also highlights the impact of temperature on GCL hydration in Mediterranean type climate.
GEOTEXTILES AND GEOMEMBRANES
(2022)
Article
Chemistry, Multidisciplinary
Pierre Matricon, R. Rama Suresh, Zhan-Guo Gao, Nicolas Panel, Kenneth A. Jacobson, Jens Carlsson
Summary: The study investigated how altered interactions with a water network can influence ligand binding to a receptor. Experimental and molecular dynamics simulations showed that an analog of the endogenous ligand that was unable to hydrogen bond to the ordered water lost affinity. Calculations revealed that introducing substituents that interacted with or displaced the ordered water led to enthalpy-driven gain of binding affinity.
