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Determination of Westcott g-factors for the assay of non-1/v nuclides using k-NAA.
Appl Radiat Isot
January 2025
Reactor Design Group, IGCAR, Kalpakkam, 603102, India.
This study examines the impact of the Westcott g-factor on the concentration of elements like In, Ir, Re, Yb, Eu and Lu, measured using neutron capture reactions (n,γ), specifically focusing on those reactions, whose thermal neutron capture cross-sections (σ ) deviate from the conventional '1/v' behaviour. These measurements are quantified using k₀-based neutron activation analysis. The Westcott g-factor for the non-1/v nuclides was calculated using the characterized neutron temperature (T) at PFTS irradiation channel of KAMINI reactor.
View Article and Find Full Text PDFParallel Temperature Replica-Exchange Molecular Dynamics Simulations Capture the Observed Impact of Stapling on Coiled-Coil Conformational Stability.
J Phys Chem B
January 2025
Department of Chemistry and Biochemistry, Brigham Young University, Provo, Utah 84602, United States.
Macrocyclization or stapling is an important strategy for increasing the conformational stability and target-binding affinity of peptides and proteins, especially in therapeutic contexts. Atomistic simulations of such stapled peptides and proteins could help rationalize existing experimental data and provide predictive tools for the design of new stapled peptides and proteins. Standard approaches exist for incorporating nonstandard amino acids and functional groups into the force fields required for MD simulations and have been used in the context of stapling for more than a decade.
View Article and Find Full Text PDFOptical Phonon Decay and Improved Thermoelectric Efficiency in p-Type MgSb.
ACS Appl Mater Interfaces
January 2025
International Advanced Research Centre for Powder Metallurgy and New Materials (ARCI), IIT M Research Park, Chennai 600113, India.
The MgSb-based layered compounds exhibit exceptional thermoelectric properties over a wide temperature range and possess the potential to supplant traditional BiTe modules with reliable and economical MgSb-based thermoelectric devices, contingent upon the availability of a complementary p-type MgSb material with high thermoelectric efficiency comparable to that of n-type MgSb. We provide a simpler method involving the codoping of monovalent atoms (K and Na) at the Mg site of the MgSb lattice to improve the thermoelectric performance of p-type MgSb. K-Na codoping results in a peak power factor of around 0.
View Article and Find Full Text PDFRealizing an Energy-Dense Potassium Metal Battery at -40 °C via an Integrated Anode-Free and Dual-Ion Strategy.
J Am Chem Soc
January 2025
School of Chemistry, Key Laboratory of Bio-Inspired Smart Interfacial Science and Technology of Ministry of Education, Beihang University, Beijing 100191, China.
Potassium (K)-based batteries hold great promise for cryogenic applications owing to the small Stokes radius and weak Lewis acidity of K. Nevertheless, energy-dense (>200 W h kg) K batteries under subzero conditions have seldom been reported. Here, an over 400 W h kg K battery is realized at -40 °C via an anode-free and dual-ion strategy, surpassing these state-of-the-art K batteries and even most Li/Na batteries at low temperatures (LTs).
View Article and Find Full Text PDFFluorine-rich poly(arylene amine) membranes for the separation of liquid aliphatic compounds.
Science
January 2025
State Key Laboratory of Coordination Chemistry, MOE Key Laboratory of High-Performance Polymer Materials & Technology, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, China.
We explored the potential for membrane materials to reduce energy and carbon requirements for the separation of aliphatic hydrocarbon feedstocks and products. We developed a series of fluorine-rich poly(arylene amine) polymer membranes that feature rigid polymer backbones with segregated perfluoroalkyl side chains. This combination imbues the polymers with resistance to dilation induced by hydrocarbon immersion without the loss of solution-based membrane fabrication techniques.
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