The apparent splitting between orbitals that are spin-orbit partners can be substantially influenced by the effects of weak binding. In particular, such effects can account for the observed decrease in separation of the neutron 1p_{3/2} and 1p_{1/2} orbitals between the ^{41}Ca and ^{35}Si isotopes. This behavior has been the subject of recent experimental and theoretical works and cited as evidence for a proton "bubble" in ^{34}Si causing an explicit weakening of the spin-orbit interaction. The results reported here suggest that the change in the separation between the 1p_{3/2} and 1p_{1/2} partners occurs dominantly because of the behavior of the energies of these 1p neutron states near zero binding.
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http://dx.doi.org/10.1103/PhysRevLett.119.182502 | DOI Listing |
Langmuir
January 2025
School of Chemical Engineering and Translational Nanobioscience Research Center, Sungkyunkwan University, Suwon 16419, Republic of Korea.
Alkylphospholipids are single-chain lipid amphiphiles that possess clinically relevant biological activities driven by membrane-destabilizing interactions. Subtle variations in alkylphospholipid structure can lead to significant differences in their biological effects, yet corresponding membrane interactions remain underexplored. Herein, we employed the quartz crystal microbalance-dissipation (QCM-D) technique to characterize the real-time membrane interactions of three alkylphospholipids-edelfosine, miltefosine, and perifosine-on supported lipid bilayers with varying cholesterol fractions.
View Article and Find Full Text PDFChemistry
January 2025
Institute of Chemical Research of Catalonia: Institut Catala d'Investigacio Quimica, -, Av. Països Catalans 16, 43007, Tarragona, SPAIN.
Noncovalent interactions are present in numerous synthetic and biological systems, playing an essential role in vital processes for life such as stabilization of proteins' structures or reversible binding in substrate-receptor complexes. Their study is relevant, but it presents challenges due to its inherent weak nature. In this context, molecular balances (MBs) are one of the most efficient physical organic chemistry tools to quantify noncovalent interactions, bringing beneficial knowledge regarding their nature and strength.
View Article and Find Full Text PDFDigit Discov
January 2025
School of Natural and Environmental Sciences, Newcastle University Newcastle Upon Tyne NE1 7RU UK
FEgrow is an open-source software package for building congeneric series of compounds in protein binding pockets. For a given ligand core and receptor structure, it employs hybrid machine learning/molecular mechanics potential energy functions to optimise the bioactive conformers of supplied linkers and functional groups. Here, we introduce significant new functionality to automate, parallelise and accelerate the building and scoring of compound suggestions, such that it can be used for automated design.
View Article and Find Full Text PDFToxicol Mech Methods
January 2025
Department of Biotechnology, School of Bioengineering, SRM Institute of Science and Technology, Kattankulathur, India.
Endocrine-disrupting chemicals (EDCs) significantly contribute to health issues by interfering with hormonal functions. Bisphenol A (BPA), a prominent EDC, is extensively utilized as a monomer and plasticizer in producing polycarbonate plastic and epoxy resins, making it one of the highest-demanded chemicals in commercial use. This is the major component used in plastic products, including bottles, containers, storage items, and food serving ware.
View Article and Find Full Text PDFAdv Mater
January 2025
Frontiers Science Center for Flexible Electronics (FSCFE), MIIT Key Laboratory of Flexible Electronics (KLoFE), Northwestern Polytechnical University, Xi'an, 710072, China.
NaV(PO), based on multi-electron reactions between V/V/V, is a promising cathode material for SIBs. However, its practical application is hampered by the inferior conductivity, large barrier of V/V, and stepwise phase transition. Herein, these issues are addressed by constructing a medium-entropy material (NaVTiAlCrMnNi(PO), ME-NVP) with strong ME─O bond and highly occupied Na2 sites.
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