Article
Chemistry, Multidisciplinary
Ellen M. Adams, Hongxia Hao, Itai Leven, Maximilian Ruettermann, Hanna Wirtz, Martina Havenith, Teresa Head-Gordon
Summary: The study found that under specific conditions, solvated proton complexes form in nanometer-sized micelles, and the transition mechanism shifts from Grotthuss forward shuttling to local oscillatory hopping. This is due to the preference of ions to adsorb to the micelle interface and the acid concentration effect.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Biochemistry & Molecular Biology
Sarah L. Schwartz, Amanda K. Garcia, Betul Kacar, Gregory P. Fournier
Summary: This study compares predicted sequences of ancestral nitrogenase to existing nitrogenase sequences, finding that the earliest ancestors likely had different substrate channel composition. These differences may indicate different environmental selection pressures in ancient environments. The results highlight the potential of ASR as a tool for developing hypotheses about ancestral enzyme functions and improving hypothesis testing through more targeted experiments.
MOLECULAR BIOLOGY AND EVOLUTION
(2022)
Article
Chemistry, Applied
Koichiro Hojo, Tsukasa Takahashi, Kazumasa Oshima, Takamasa Haji, Yuki Terayama, Hiroshige Matsumoto, Shigeo Satokawa
Summary: The study found that zeolites with a high number of surface silanol groups exhibit higher conductivity in water, indicating the important role of surface silanol groups in increasing the conductivity of zeolite in water. The mechanism of conduction is similar to the Grotthuss mechanism.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Yi Yang, Penghui Zhang, Liqin Hao, Peng Cheng, Yao Chen, Zhenjie Zhang
Summary: The synthesis of two highly crystalline, robust, hydrophilic COFs with intrinsic proton conduction capabilities by the Grotthuss mechanism is described in this study. The COFs, enriched with redox-active azo groups, can undergo proton-coupled electron transfer reactions for energy storage, making them ideal candidates for pseudocapacitance electrode materials. After in situ hybridization with carbon nanotubes, the composite exhibited high specific capacitance and excellent stability, making it a promising material for supercapacitors with high power and energy densities.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Yunkai Xu, Xianyong Wu, Xiulei Ji
Summary: Proton's small size and ability to form hydrogen bonding make it an attractive charge carrier in electrochemical energy storage. Recent advancements have focused on reversible proton insertion in electrodes, emphasizing topotactic structural changes. While proton batteries may not compete with nonaqueous batteries in energy density, their major advantage lies in their rate capability.
Article
Materials Science, Multidisciplinary
Shengyang Dong, Nan Lv, Ruiqi Ren, Yulin Wu, Pin Liu, Guoyin Zhu, Wenjun Wang, Yizhou Zhang, Xiaochen Dong
Summary: High-concentration electrolytes are promising for improving the performance of aqueous batteries, but their cost, viscosity, and conductivity pose challenges. This study explores the use of ultralow-concentration sulfuric acid electrolyte to enhance the electrochemical stability of K-ion pre-intercalated V2O5. The results show high reversible capacity and impressive capacity retention, indicating the potential of ultralow-concentration electrolyte chemistry for developing durable and low-cost aqueous energy storage systems.
SCIENCE CHINA-MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Tomohiro Fukushima, Soushi Yoshimitsu, Kei Murakoshi
Summary: This study demonstrates the modification of ionic conductivity of water by hybridizing it with a vacuum electromagnetic field. By strongly coupling the O-H stretching mode of H2O to a Fabry-Perot cavity mode, collective vibro-polaritonic states are generated, resulting in an order of magnitude increase in proton conductivity and dielectric constants.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Dongxiao Chen, Pei-Lin Kang, Zhi-Pan Liu
Summary: By using machine-learning reaction exploration, it was found that ethene oxidation on silver metal surfaces has three low-energy pathways, with the dehydrogenation of oxometallacycle intermediate (OMC-DH) being the most important one. The dominance of the dehydrogenation path for ethene oxidation on both Ag(100) and Ag(111) metal surfaces regardless of the reaction conditions rationalizes the low selectivity to combustion products in low oxygen pressure experiments. The presence of the OMC-DH pathway and the general low selectivity on metal sites were confirmed by evaluating this mechanism on different catalysts, pointing towards revealing the true active site of Ag-based catalyst in ethene oxidation.
Article
Chemistry, Inorganic & Nuclear
Kesar Tandekar, Chandani Singh, Sabbani Supriya
Summary: Compound 1 shows a high proton conductivity value under humidified and low temperature conditions, with water molecules and specific water molecules in the compound responsible for proton transfer in the crystals.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Microbiology
Ana Perez-Gonzalez, Emilio Jimenez-Vicente, Jakob Gies-Elterlein, Alvaro Salinero-Lanzarote, Zhi-Yong Yang, Oliver Einsle, Lance C. Seefeldt, Dennis R. Dean
Summary: Azotobacter vinelandii can produce three genetically distinct components for nitrogen fixation, with metal-specific assembly scaffolds required for Mo-dependent and V-dependent components but not for the Fe-only component. The FeFe-cofactor associated with the Fe-only component does not require intermediate assembly sites, highlighting its simplicity and potential for transferring nitrogen fixation into plants.
Article
Chemistry, Applied
Bo Li, Yinuo Wang, Jiasheng Wang, Xue Yong, Jingping Zhang
Summary: This paragraph introduces the publication information for 2020 by the Science Press of Dalian Institute of Chemical Physics, Chinese Academy of Sciences and ELSEVIER B.V.
JOURNAL OF ENERGY CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Linh N. Le, Gwendolyn A. Bailey, Anna G. Scott, Theodor Agapie
Summary: Nitrogen-fixing organisms perform dinitrogen reduction to ammonia at an Fe-M (M = Mo, Fe, or V) cofactor (FeMco) of nitrogenase. FeMco displays eight metal centers bridged by sulfides and a carbide having the MFe7S8C cluster composition. The role of the carbide ligand, a unique motif in protein active sites, remains poorly understood.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Chemistry, Physical
Lu Feng, Wentao Huang, Hong Zhou
Summary: In this study, a metal phosphonate with a one-dimensional chain structure was synthesized and found to exhibit high proton conductivity and excellent cyclic stability. The hydrogen bond interaction between water molecules, [PO3] groups, and NH3+ was identified as the key factor for achieving high proton conductivity.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Sahitya Talachutla, Shamik Bhat, Adam W. Duster, Hai Lin
Summary: Two revised algorithms for tracking a hydrated proton in bulk water simulations have been developed, showing significant improvement over the original scheme by reducing indicator position displacements and yielding smoother trajectories to effectively track the movement of the solvated proton.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
Johannes Sutter, Constantin Haese, Robert Graf, Johannes Hunger
Summary: This study investigates the mechanism of proton transport in protic ionic liquids (PILs) using dielectric relaxation spectroscopy and nuclear magnetic resonance spectroscopy. The results demonstrate the sensitivity of protonation equilibria to the immediate environment of PILs and the influence of these equilibria on proton dynamics. Tuning the composition of PILs can be used to control the contribution of proton transport to charge transport.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Inorganic & Nuclear
Vaibhav Bedi, Dipendu Mandal, Zahid Hussain, Shi-Ming Chen, Yile Wu, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan
Summary: The reaction of (tBuO(2)CN)(2) with 9-BBN leads to the formation of a bicyclic heterocyclic compound, while its reactions with BF3 or [Et3Si][B(C6F5)(4)] result in the isolation of different compounds. Computational studies reveal that the steric and electronic properties of the Lewis acid are important in the formation of one of the compounds.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chisa Itoh, Haruka Yoshino, Taku Kitayama, Wataru Kosaka, Hitoshi Miyasaka
Summary: A new synthetic route for constructing functional paddlewheel diruthenium(II,II) complexes was developed, utilizing Schiff base condensation reactions. The attached Schiff base groups significantly affected the electronic states of the resulting complexes, as revealed by cyclic voltammetry and DFT calculations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Danrui Ni, Haozhe Wang, Xianghan Xu, Weiwei Xie, Robert J. Cava
Summary: A layered rhombohedral polymorph of indium(iii) triiodide is synthesized at high pressure and temperature. It has an orange color, which is different from ambient pressure InI3, which has a monoclinic molecular structure and a light-yellow color.
DALTON TRANSACTIONS
(2024)
Review
Chemistry, Inorganic & Nuclear
Juan Carlos Perez-Sanchez, Raquel P. Herrera, M. Concepcion Gimeno
Summary: Gold(II) complexes have been less utilized in catalysis compared to their gold(I) and gold(III) counterparts. However, gold(II) complexes offer potential in homo-coupling and cross-coupling reactions, as they are more easily accessible through simplified oxidation and reduction processes. Gold(II) exhibits characteristics of both soft acid gold(I) and hard acid gold(III). This review explores the unique reactivity and potential applications of gold(II) species, highlighting their significance in catalytic transformations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Nighat Yousuf, Yanping Ma, Qaiser Mahmood, Wenjuan Zhang, Yizhou Wang, Hassan Saeed, Wen-Hua Sun
Summary: In this study, a series of structurally rigid cyclooctyl-fused iminopyridine iron complexes were synthesized and used with methylaluminoxane for isoprene polymerization. The extent of steric hindrance of the ligand framework was found to significantly affect catalytic performance, with less hindrance leading to better activity and stability.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chenghao Song, Huiwei Du, Menglei Xu, Jie Yang, Xinyu Zhang, Jungan Wang, Yuanfang Zhang, Chengjun Gu, Rui Li, Tao Hong, Jingji Zhang, Jiangying Wang, Yongchun Ye
Summary: This study improves the performance of perovskite solar cells by using a dual-hole transport layer strategy. This strategy enhances the charge transfer efficiency of the transport layer, reduces charge recombination, and improves the quality of the perovskite film layer. Ultimately, the stability of the device is enhanced.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mahender Singh, Aakash Yadav, Ranjit Singh, Chullikkattil P. Pradeep
Summary: A new aryl selenonium polyoxometalate hybrid was developed and compared with an aryl sulfonium polyoxometalate hybrid in terms of their photocatalytic properties. It was found that the aryl selenonium hybrid exhibited better catalytic performance, which could be attributed to the larger atomic radii of selenium stabilizing the photogenerated electron-hole pair more efficiently. Additionally, the generation of elemental selenium through cleavage of C-Se bonds during catalysis was observed.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Yuhan Xie, Boyu Dong, Xuemin Wang, Siyuan Wang, Jinxi Chen, Yongbing Lou
Summary: This study successfully fabricated visible-light-responsive three-dimensional core-shell CoSe2/ZnIn2S4 heterostructures and achieved attractive activity in photocatalytic hydrogen evolution. The presence of CoSe2 improved light absorption and accelerated charge transfer kinetics. The strong interaction between CoSe2 and ZnIn2S4 reduced charge recombination, further enhancing photocatalytic activity for hydrogen evolution.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Andre L. de O. Batista, Joao Marcos T. Palheta, Mauricio J. Piotrowski, Celso R. C. Rego, Diego Guedes-Sobrinho, Alexandre C. Dias
Summary: This study presents a simulation protocol that provides a solid foundation for exploring two-dimensional materials. Using the TiBr2 2H monolayer as an example, the study reveals its promising properties for optoelectronic and valleytronic applications, including its stability, spin-orbit coupling effects, and optical helicity selection rule.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Jiang Jiang, Zi-Wei Li, Zhi-Zhuan Zhang, Bin Tan, Zhao-Feng Wu, Xiao-Ying Huang
Summary: In this work, two metal organic frameworks (MOFs) containing {Cu2I2} clusters, Eu-CuI-INA and Sr-K-CuI-INA, were synthesized and characterized. Both materials have a three-dimensional structure with {Cu2I2} clusters coordinated by INA(-) ligands and Eu3+ or Sr2+ ions. The Sr-K-CuI-INA material exhibited sensitive fluorescence sensing behaviors towards cysteine and nitro-bearing molecules, showing potential applications in bio and explosive molecule sensing. This work provides a good reference for designing fluorescent MOF probes containing CuI molecules.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhiya Lin, Jiasheng Wu, Qianwen Ye, Yulong Chen, Hai Jia, Xiaohui Huang, Shaoming Ying
Summary: Na-ion batteries (NIBs) have attracted great interest as a potential technology for grid-scale energy storage due to the wide distribution, low cost, and environmental friendliness of sodium resources. However, their implementation is hindered by low rate capability and cycling stability caused by the large ionic size of Na+. In this study, a three-dimensional nanoarchitectured coral-like CoSe2@N-doped carbon (CL-CoSe2@NC) was synthesized, and it exhibited improved sodium storage properties with better electrode kinetics and a stable SEI film.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Ya-Qiong Zhang, Yu Zhang, Guoping Zeng, Rong-Zhen Liao, Man Li
Summary: The mechanism and selectivity of CO2 reduction under visible light were investigated using density functional calculations. The results showed that a tetradentate PNNP-type Iridium(III) complex exhibited high activity and selectivity in the reaction.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Sanyukta Ghosh, Shubhanth Jain, Soumya Ranjan Mishra, Gerda Rogl, Peter Rogl, Ernst Bauer, B. S. Murty, A. Govindaraj, Ramesh Chandra Mallik
Summary: In this study, reduced graphene oxide (rGO) was uniformly dispersed in the In0.5Co4Sb12 bulk material by ultrasonication, which effectively reduced the lattice thermal conductivity and improved the thermoelectric efficiency.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mika Takeuchi, Yutaka Amao
Summary: This study developed an effective visible-light driven system for fumaric acid production using renewable resources such as biomass derivatives, providing an alternative to the current petroleum-based synthesis methods.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Juan Jian, Meiting Wang, Zhuo Wang, Jingwen Meng, Yuqin Yang, Limin Chang
Summary: Developing low-cost and self-supported bifunctional catalysts is crucial for highly efficient water splitting devices. In this study, nano-NiFe2O4 was directly grown onto iron foil surface and Sn4+ was introduced into the NiFe2O4. The resulting Sn-NiFe2O4/IF showed low overpotentials and high current densities during oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), making it a promising catalyst for large-scale hydrogen production.
DALTON TRANSACTIONS
(2024)