Results 201 to 210 of about 3,593 (248)

Novel eigenvector centrality indices for octane isomers to explore their physicochemical properties. [PDF]

Sci Rep
Rani ASJ, Balamurugan BJ.
europepmc   +1 more source

3D‐Printed Metal‐Supported MOF‐Heteropoly Acid Nanozyme for High‐Performance Peroxidase‐Mimic Activity and Ultra‐Sensitive Glucose Detection

Advanced Science, EarlyView.
A hierarchically structured Fe‐BTC‐PMA immobilized 3D‐printed platform is engineered as a robust artificial enzyme for colorimetric glucose sensing. The hybrid architecture efficiently activates H2O2 to drive TMB oxidation. This integrated system enables sensitive, reusable, and scalable detection with enhanced catalytic stability and analytical ...
Paramita Koley, Ranjithkumar Jakku, Subhash Chandra Shit, Jang Mee Lee, Guy N. L. Jameson, Tayebeh Hosseinnejad, Selvakannan Periasamy, Deshetti Jampaiah, Amrit Raj Paul, Ylias Sabri, Suresh K. Bhargava   +10 more
wiley   +1 more source

Cluster-based DFT modeling of Raman vibrations in tetrahedral GeS₂ and GeSe₂ amorphous chalcogenides. [PDF]

Sci Rep
Halenkovič T, Němec P, Nazabal V.
europepmc   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Computational Phenotypic Drug Discovery for Anticancer Chemotherapy: PTML Modeling of Multi-Cell Inhibitors of Colorectal Cancer Cell Lines. [PDF]

Int J Mol Sci
Speck-Planche A, Cordeiro MNDS.
europepmc   +1 more source

Ferroelectric Devices for In‐Memory and In‐Sensor Computing

Advanced Science, EarlyView.
Inspired by biological systems, in‐memory and in‐sensor computing overcome von Neumann bottlenecks. Ferroelectric devices can mimic synaptic functions and sense stimuli like light or force, therefore are ideal for these paradigms. This review introduces the ferroelectric devices applied for in‐memory and in‐sensor computing, covering their structures ...
Hong Fang, Ronghuan Xie, Qiang Cao, Shishen Yan, Xiaolin Wang, Limei Zheng   +5 more
wiley   +1 more source

A QSPR study of coronary artery disease drugs using eccentricity-based indices. [PDF]

Sci Rep
Iqbal N, Akhter S, Alraih AM, Iqbal Z, Aslam A, Tola KA.   +5 more
europepmc   +1 more source

Harnessing Phase Separation for the Development of High‐Performance Hydrogels

Advanced Science, EarlyView.
ABSTRACT Hydrogels are indispensable for the development of next‐generation bioelectronics, soft robotics, and biomedical devices, where their mechanical properties determine performance and reliability. Among strategies to enhance hydrogel mechanics, phase separation enables controlled heterogeneity resulting in gel networks that are reinforced by ...
Yue Shao, Yiming Ma, Baihao Shao, Molly M. Stevens   +3 more
wiley   +1 more source

A Learning Framework for Atomic-Level Polymer Structure Generation. [PDF]

Chem Mater
Jain A, Srivastava A, Ramprasad R.
europepmc   +1 more source

Structural and Compositional Effects on the Scintillation Properties of Fast Emitting Metal‐Organic Frameworks

Advanced Science, EarlyView.
The crystalline structure, the atomic numbers of the constituent elementsand the size of MOF crystals each influence their photoluminescence and scintillation properties in distinct ways. Together, these factors provide valuable guidelines for designing systems with optimized performance and tunable timing characteristics, arising from the synergistic ...
Francesca Cova, Jacopo Perego, Biplab Joarder, Nobuhiro Yanai, Anna Vedda, Silvia Bracco, Angiolina Comotti, Angelo Monguzzi, Irene Villa   +8 more
wiley   +1 more source