Results 181 to 190 of about 102,718 (302)

Novel Roman domination-based graph energies for QSPR analysis of neuroprotective herbal compounds in Alzheimer's disease treatment. [PDF]

Front Chem
Salini Jancy Rani A, Balamurugan BJ.
europepmc   +1 more source

A Localized Strengthening Approach of Carbon Fiber Reinforced Polymer (CFRP) Cables With Self‐Anchorage System

Polymer Composites, Volume 47, Issue 9, Page 8448-8463, 10 May 2026.
Strategy considered to understand the effect of localized strengthening on the mechanical properties of Carbon Fiber Reinforced Polymer (CFRP) cables with self‐anchorage system. ABSTRACT Carbon fiber reinforced polymer (CFRP) possesses excellent mechanical properties and has gained popularity in modern applications, offering a potential alternative to ...
Jialu Tang, Charles K. S. Moy, Dianlong Tan, Juan Zhang   +3 more
wiley   +1 more source

Drip fertigation improves cumin productivity, essential oil content, water use efficiency and profitability in arid zones of Rajasthan. [PDF]

Sci Rep
Singh R, Harisha CB, Choudhary S, Ravi Y, Meena NK, Meena RS, Kumar S, Verma AK.   +7 more
europepmc   +1 more source

Origins of Li2S‐Rich Layer Formation at Li6PS5Cl|Li Interface: Insights from First‐Principles Simulations

Batteries &Supercaps, Volume 9, Issue 5, May 2026.
All‐solid‐state lithium batteries (ASSLBs) using sulfide electrolytes such as Li6PS5Cl (LPSC) offer high ionic conductivity and high safety, yet their performance remains limited by reductive instability at the Li‐metal interface. Here, density functional theory (DFT) calculations combined with ab initio molecular dynamics (AIMD) simulations are used ...
Santhanamoorthi Nachimuthu, Hao‐Wen Chang, Yun‐Fang Luo, Ryo Maezono, Bing Joe Hwang, Jyh‐Chiang Jiang   +5 more
wiley   +1 more source

pyBiodatafuse: extending interoperability of data using modular queries across biomedical resources. [PDF]

Bioinformatics
Gadiya Y, Millán Acosta J, Ammar A, Adriaque Lozano A, Wetstede D, Martinát D, Sima AC, Mei H, Willighagen E, Abbassi-Daloii T.   +9 more
europepmc   +1 more source

New Insights in the Electrochemical Stability of Various Solid Polymer Electrolytes/Layered Positive Metal‐Oxide Electrode Interfaces in Solid‐State Lithium‐Ion Battery

ENERGY &ENVIRONMENTAL MATERIALS, Volume 9, Issue 3, May 2026.
In this work, the electrochemical compatibility of a broad range of solid polymer electrolytes with two Ni‐rich nickel–manganese–cobalt cathodes (NMC622, NMC811) is investigated through a hybrid computational and experimental approach. The relative reactivity of NMC811 to NMC622 is demonstrated, as well as the role of Li cations in the electrolyte ...
Alexandre Roelens, Ashish Raj, Meron D. Tuemay, Lieven Bekaert, Xinhua Zhu, Mats Meeusen, Frank De Proft, Jean‐François Gohy, Annick Hubin, Mesfin H. Mamme   +9 more
wiley   +1 more source

Enhancing cancer drug discovery: QSAR modeling with machine learning and chemical representations. [PDF]

PLoS One
Acosta-Murillo R, Ortiz-Bayliss JC, Zapata-Morin PA.   +2 more
europepmc   +1 more source

Fluoro‐Functionalized Polyether Electrolytes Enabling High‐Energy‐Density Solid‐State Lithium‐Metal Batteries

ENERGY &ENVIRONMENTAL MATERIALS, Volume 9, Issue 3, May 2026.
Fluoro‐functionalized polyether electrolytes, which combine fluorine‐ and ether‐containing groups, achieve enhanced oxidative stability, high ionic conductivity, and superior interfacial stability. Due to their non‐flammability, remarkable flexibility, ease of processing, and design versatility, polymer‐based electrolytes containing polyethers have ...
Nannan Geng, Chenkai Lu, Wenbei Li, Qianxin Liu, Zixuan Zhou, Tao Yang, Yin Cui, Guobin Zhang, Xidong Lin   +8 more
wiley   +1 more source

Predicting S₁ TDDFT Energies from ZINDO Calculations Using Message-Passing ΔML with Electronically Informed Descriptors. [PDF]

J Chem Theory Comput
Coxson A, Omar ÖH, Del Cueto M, Troisi A.   +3 more
europepmc   +1 more source

From Molecular Insight to Mesoscale Membrane Remodeling: Curvature Generation by Arginine-Rich Cell-Penetrating Peptides. [PDF]

Small Methods
Cell‐penetrating peptides are a widely‐used drug delivery platform. So far, there is a lack of quantitative understanding of the mechanisms that drive their efficiency. We introduce an integrative modeling approach combining molecular dynamics and continuum modeling, and apply it to show how the binding of cell‐penetrating peptides leads to membrane ...
Baxová KL, Koikkara J, Allolio C.
europepmc   +2 more sources