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http://dx.doi.org/10.1021/acs.jpca.7b05681 | DOI Listing |
BMC Bioinformatics
January 2025
Department of Chemistry, University of Louisiana at Lafayette, Lafayette, LA, 70504, USA.
Background: All chemical forms of energy and oxygen on Earth are generated via photosynthesis where light energy is converted into redox energy by two photosystems (PS I and PS II). There is an increasing number of PS I 3D structures deposited in the Protein Data Bank (PDB). The Triangular Spatial Relationship (TSR)-based algorithm converts 3D structures into integers (TSR keys).
View Article and Find Full Text PDFCommun Chem
January 2025
Molecular Structure of Cell Signalling Laboratory, The Francis Crick Institute, London, UK.
Deubiquitinating enzymes (DUBs) are key regulators of cellular homoeostasis, and their dysregulation is associated with several human diseases. The ovarian tumour protease (OTU) family of DUBs are biochemically well-characterised and of therapeutic interest, yet only a few tool compounds exist to study their cellular function and therapeutic potential. Here we present a chemoproteomics fragment screening platform for identifying novel DUB-specific hit matter, that combines activity-based protein profiling with high-throughput chemistry direct-to-biology optimisation to enable rapid elaboration of initial fragment hits against OTU DUBs.
View Article and Find Full Text PDFSci Rep
January 2025
Departamento de Farmacia, Facultad de Ciencias, Universidad Nacional de Colombia, Cra. 30 N° 45-03, Bogotá D.C., Colombia.
Skin cancer is one of the most common types of cancer worldwide, with exposure to UVB radiation being a significant risk factor for its development. To prevent skin cancer, continuous research efforts have focused on finding suitable photoprotective ingredients from natural sources that are also environmentally friendly. This study aimed to develop oil-in-water photoprotective nanoemulsions containing marine macroalgae extract.
View Article and Find Full Text PDFNat Commun
January 2025
School of Nuclear Science and Technology, Key Laboratory of Precision and Intelligent Chemistry, National Synchrotron Radiation Laboratory, School of Chemistry and Materials Science, Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui, PR China.
Solar-driven, selective biomass hydrogenation is recognized as a promising route to renewable chemicals production, but remains challenging. Here, we report a TiO supported Cu single-atom catalyst with a four-coordinated Cu-O structure, which can be universally applied for solar-driven production of various renewable chemicals from lignocellulosic biomass-derived platform molecules with good yields using green methanol as a hydrogen donor, to address this challenge. It is significant that the biomass upgrading driven by natural sunlight on a gram scale demonstrates the great practical potential.
View Article and Find Full Text PDFNat Commun
January 2025
School of Chemistry and Physics, ARC Research Hub in Zero-emission Power Generation for Carbon Neutrality, and Centre for Materials Science, Queensland University of Technology, Brisbane, QLD, Australia.
Te-free thermoelectrics have garnered significant interest due to their immense thermoelectric potential and low cost. However, most Te-free thermoelectrics have relatively low performance because of the strong electrical and thermal transport conflicts and unsatisfactory compatibility of interfaces between device materials. Here, we develop lattice defect engineering through Cu doping to realize a record-high figure of merit of ~1.
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