Despite recent claims we argue that Rényi's entropy is an observable quantity. It is shown that, contrary to popular belief, the reported domain of instability for Rényi entropies has zero measure (Bhattacharyya measure). In addition, we show that the instabilities can be easily emended by introducing a coarse graining into an actual measurement. We also clear up any doubts regarding the observability of Rényi's entropy in (multi)fractal systems and in systems with absolutely continuous probability density functions.
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http://dx.doi.org/10.1103/PhysRevE.69.026128 | DOI Listing |
Sci Adv
January 2025
Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996, USA.
Light, strong, and radiation-tolerant materials are essential for advanced nuclear systems and aerospace applications. However, the comprehensive properties of current radiation-tolerant materials are far from being satisfactory in harsh operating environments. In this study, a high-throughput-designed NbVTaSi refractory eutectic medium entropy alloy realizes the controllable formation of the β-NbSi phase with a high content and has outstanding comprehensive properties, i.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.
Generative artificial intelligence (AI) models trained on natural protein sequences have been used to design functional enzymes. However, their ability to predict individual reaction steps in enzyme catalysis remains unclear, limiting the potential use of sequence information for enzyme engineering. In this study, we demonstrated that sequence information can predict the rate of the S2 step of a haloalkane dehalogenase using a generative maximum-entropy (MaxEnt) model.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Center for Advanced Materials Research, Beijing Normal University at Zhuhai, Zhuhai, 519087, China.
Understanding the molecular mechanism of inhibitor binding to prostate-specific membrane antigen (PSMA) is of fundamental importance for designing targeted drugs for prostate cancer. Here we designed a series of PSMA-targeting inhibitors with distinct molecular structures, which were synthesized and characterized using both experimental and computational approaches. Microsecond molecular dynamics simulations revealed the structural and thermodynamic details of PSMA-inhibitor interactions.
View Article and Find Full Text PDFAppl Biochem Biotechnol
January 2025
Department of Botany, Maharshi Dayanand University, Rohtak, 124001, India.
Cellulase was effectively immobilized onto an epoxy-bound chitosan-modified zinc metal-organic framework (epoxy/ZIF-8/CS/cellulase) support, yielding a conjugation rate of 0.64 ± 0.02 mg/cm2 and retaining 80.
View Article and Find Full Text PDFAdv Mater
January 2025
School of Materials Science and Engineering, University of Science and Technology of China, Shenyang, 110016, China.
Sulfur conversion reactions are the foundation of lithium-sulfur batteries but usually possess sluggish kinetics during practical battery operation. Herein, a high-entropy single-atom catalyst (HESAC) is synthesized for this process. In contrast to conventional dual-atom catalysts that form metal-metal bonds, the center metal atoms in HESAC are not bonded but exhibit long-range interactions at a sub-nanometer distance (<9 Å).
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