Correction for 'Quantifying the ion coordination strength in polymer electrolytes' by Rassmus Andersson , , 2022, , 16343-16352, https://doi.org/10.1039/D2CP01904C.
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Data-driven exploration of weak coordination microenvironment in solid-state electrolyte for safe and energy-dense batteries.
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Shenzhen Geim Graphene Center, Tsinghua-Berkeley Shenzhen Institute & Tsinghua Shenzhen International Graduate School, Tsinghua University, Shenzhen, P. R. China.
The unsatisfactory ionic conductivity of solid polymer electrolytes hinders their practical use as substitutes for liquid electrolytes to address safety concerns. Although various plasticizers have been introduced to improve lithium-ion conduction kinetics, the lack of microenvironment understanding impedes the rational design of high-performance polymer electrolytes. Here, we design a class of Hofmann complexes that offer continuous two-dimensional lithium-ion conduction channels with functional ligands, creating highly conductive electrolytes.
View Article and Find Full Text PDFCalprotectin's Protein Structure Shields Ni-N(His) Bonds from Competing Agents.
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January 2025
State Key Laboratory of Coordination Chemistry, Chemistry and Biomedicine Innovation Center (ChemBIC), School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210023, China.
The Ni-N(His) coordination bond, formed between the nickel ion and histidine residues, is essential for recombinant protein purification, especially in Ni-NTA-based systems for selectively binding polyhistidine-tagged (Histag) proteins. While previous studies have explored its bond strength in a synthetic Ni-NTA-Histag system, the influence of the surrounding protein structure remains less understood. In this study, we used atomic force microscopy-based single-molecule force spectroscopy (AFM-SMFS) to quantify the Ni-N(His) bond strength in calprotectin, a biologically relevant protein system.
View Article and Find Full Text PDFTuning the lanthanide binding tags for preferential actinide chelation: an all atom molecular dynamics study.
Phys Chem Chem Phys
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Chemistry Division, Bhabha Atomic Research Centre, Mumbai, 400085, India.
The present study focuses on designing mutant peptides derived from the lanthanide binding tag (LBT) to enhance selectivity for trivalent actinide (An) ions over lanthanide (Ln) metal ions (M). The LBT is a short peptide consisting of only 17 amino acids, and is known for its high affinity towards Ln. LBT was modified by substituting hard-donor ligands like asparagine (ASN or N) and aspartic acid (ASP or D) with softer ligand cysteine (CYS or C) to create four mutant peptides: M-LBT (wild-type), M-N103C, M-D105C, and M-N103C-D105C.
View Article and Find Full Text PDFComputational Modeling of Electrocatalysts for CO Reduction: Probing the Role of Primary, Secondary, and Outer Coordination Spheres.
Acc Chem Res
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The Department of Chemistry, State University of New York at Binghamton, Binghamton, New York 13902, United States.
ConspectusIn the search for efficient and selective electrocatalysts capable of converting greenhouse gases to value-added products, enzymes found in naturally existing bacteria provide the basis for most approaches toward electrocatalyst design. Ni,Fe-carbon monoxide dehydrogenase (Ni,Fe-CODH) is one such enzyme, with a nickel-iron-sulfur cluster named the C-cluster, where CO binds and is converted to CO at high rates near the thermodynamic potential. In this Account, we divide the enzyme's catalytic contributions into three categories based on location and function.
View Article and Find Full Text PDFExpansion counteraction effect assisted vanadate with rich oxygen vacancies as a high cycling stability cathode for aqueous zinc-ion batteries.
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State Key Laboratory of Materials-Oriented Chemical Engineering and School of Chemistry and Molecular Engineering, Nanjing Tech University, Nanjing 211816, P. R. China.
In this study, a novel tunnel structure vanadate NaVO (NaVO) cathode for aqueous zinc ion batteries (AZIBs) is facilely fabricated by thermal decomposition of polyoxovanadate containing NH ions. The NaVO cathode is characterized by abundant oxygen vacancies and nanometer dimensions. These attributes can offer extra reaction sites and suppress structural collapse during circulation.
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