Results 121 to 130 of about 835,518 (294)

On topological co-index polynomials for predictive modeling of the physicochemical properties of antiviral drugs

Scientific Reports
This study investigates the potential of topological co-indices and their polynomials as computational tools for predicting the physicochemical properties of antiviral compounds targeting the Ebola virus.
Summeira Meharban, Asad Ullah, Shahid Zaman, Assmaa Abd-Elmonem, Parvez Ali, Neissrien Alhubieshi, Melaku Berhe Belay   +6 more
doaj   +1 more source

Topological indices of cographs

, 2019
The Wiener index, the Harary index and edge-Wiener index are classic and well-known topological indices for the characterization of molecular graphs. Firstly, we give the formulae and algorithms for these topological indices of the complements of trees ...
Benediktovich, V.I., Lepin, V.V., Talmaciu, M.   +2 more
core  

Multiscale Coupling From Mastication to Retronasal Aroma Perception: The PG‐DTCFN Model and Multiphysics Simulation

Advanced Science, EarlyView.
Using grilled lamb skewers as a model system, this work builds a multiscale coupling framework from oral processing to retronasal aroma perception, reveals dual‐kinetic release patterns and Electroencephalogram‐characterized central encoding features, and proposes an interpretable physics‐guided deep learning model validated by multiphysics simulation,
Che Shen, Xiongfeng He, Zihao Li, Zidong Chen, Jiajin Sun, Xinyu Jiang, Yunhui Zhang, Lizhang Wu, Ran Wang, Jingnan Lu, Bo Wang, Kezhou Cai, Baocai Xu   +12 more
wiley   +1 more source

Extended Anionic Network in Mixed‐Valent Nitridocobaltates(I/II) LnCo2N2 (Ln = La, Pr, Nd)

Advanced Science, EarlyView.
This study presents the high‐pressure synthesis of LnCo2N2 (Ln = La, Pr, Nd) with Co in mixed valent states of +I/+II. The compounds demonstrate the stabilization of a nitridocobaltate with extended anionic Co–N layers where Co is threefold coordinated.
Nina A. M. Prinz, Jonas M. Albrecht, Dominik Werhahn, Simon Steinberg, Clemens Ritter, Simon D. Kloß   +5 more
wiley   +1 more source

Emergent 3D Fermiology and Magnetism in an Intercalated Van der Waals System

Advanced Science, EarlyView.
An emergent three‐dimensional electronic state is uncovered in an intercalated van der Waals system. A spin‐polarized intercalant‐host hybridized band crossing the Fermi level provides an itinerant channel for interlayer exchange, highlighting how electronic dispersion governs magnetic dimensionality.
Luigi Camerano, Emanuel A. Martínez, Victor Porée, Laura Martella, Dario Mastrippolito, Debora Pierucci, Franco D'Orazio, Polina M. Sheverdyaeva, Paolo Moras, Enrico Della Valle, Tianlun Yu, Moritz Hoesch, Craig M. Polley, Thiagarajan Balasubramanian, Alessandro Nicolaou, Luca Ottaviano, Vladimir N. Strocov, Gianni Profeta, Federico Bisti   +18 more
wiley   +1 more source

Bound Water as a Reinforcing Element for Ultra‐Strong Polyacrylamide

Advanced Science, EarlyView.
Rather than acting as a conventional plasticizer, bound water serves as a reinforcing element in polyacrylamide by constructing strong PAM–water–PAM hydrogen‐bond networks. This water‐mediated architecture delivers ultra‐high mechanical strength and exceptional flame resistance, redefining the role of water in polymer reinforcement.
Sirawit Pruksawan, Nannan Li, Zehuang Lin, Jianwei Zheng, Terence Jun En Loh, Yi Ting Chong, Junhua Kong, Xunan Hou, Xian Jun Loh, Chaobin He, FuKe Wang   +10 more
wiley   +1 more source

On analysis of topological indices and heat of formation for benzyl sulfamoyl network via curve fitting model

Scientific Reports
The study explores the intricate relationship between topological indices and the heat of formation in the benzyl sulfamoyl network. Topological indices of benzyl sulfamoyl networks are studied and also emphasize their properties statistically.
Hong Yang, Muhammad Farhan Hanif, Muhammad Kamran Siddiqui, Muhammad Faisal Hanif, Ayesha Maqbool, Mohamed Abubakar Fiidow   +5 more
doaj   +1 more source

A Pan‐Methylome Framework for Population‐Scale Bacterial Epigenomics

Advanced Science, EarlyView.
A scalable quantitative framework unlocks population‐level comparative epigenomics in bacteria. By transforming site‐level data into standardized traits, this approach reconstructs methylation‐informed phylogenies and defines the core epigenome.
Bin Ma, Huimin Gong, Ran Zhuo, Zaixiao Rao, Yanxi Wan, Mingyang Wang, Zahra Zeinalzadeh, Yuan Gao, Aohan Guan, Xinrun Li, Wanting Chen, Xiliang Wang, Yun Wan, Sihua Zhang, Yuncai Xiao, Qi Huang, Paul R. Langford, Xiangru Wang, Rui Zhou, Rui Luo, Hongbo Zhou, Chengliang Zhu, Hui Jin   +22 more
wiley   +1 more source

Properties of the forgotten index in bipolar fuzzy graphs and applications

Scientific Reports
Topological indices are the numbers that remain constant under graph automorphism. Topological indices describe a network’s connectivity, structure, and topological characteristics. These indices have many applications in crisp graphs.
Shaikh Ibrahim Abdullah, Sovan Samanta, Kajal De, Antonios Kalampakas, Jeong Gon Lee, Tofigh Allahviranloo   +5 more
doaj   +1 more source

Cation Diffusion‐Mediated Displaced Reaction‐Transformation in Green Steelmaking

Advanced Science, EarlyView.
The removal of O lattice atoms by environmental H2 at the surface of Fe3O4 results in Fe enrichment, driving the inward diffusion of Fe cations into the bulk. Through hopping between unoccupied and initially occupied sites, cation diffusion triggers a spatially displaced reaction‐transformation and drives subsequent dynamic phase transformations and ...
Guangyi Guo, Paul Paciok, Baptiste Bienvenu, Longqi Bai, Barak Ratzker, Marc Heggen, Xuyang Zhou, Dierk Raabe   +7 more
wiley   +1 more source