Results 101 to 110 of about 3,197 (168)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Optimizing accuracy and dimensionality: a swarm intelligence strategy for robust cancer genomics classification. [PDF]

BioData Min
Yaqoob A, Mir MA, Lakshmi RV, Pradhan T, Rao GVVJ, Tejani GG, Shah MA.   +6 more
europepmc   +1 more source

Ferroelectricity in Antiferromagnetic Wurtzite Nitrides

Advanced Functional Materials, EarlyView.
We establish MnSiN2${\rm MnSiN}_2$ and MnGeN2${\rm MnGeN}_2$ as aristotypes of a new multiferroic wurtzite family that simultaneously exhibits ferroelectricity and antiferromagnetism with altermagnetic spin splitting. By strategically substituting alkaline‐earth metals, we predict new materials with coexisting switchable polarization, spin texture, and
Steven M. Baksa, Lin‐Ding Yuan, Stephen D. Wilson, James M. Rondinelli   +3 more
wiley   +1 more source

Whole-Genome Sequencing of Multidrug-Resistant <i>Acinetobacter baumannii</i> Local Isolate and Molecular Dynamics Simulation Studies of a Modified KR-12 Analog Targeting AbaQ and BfmR. [PDF]

Int J Mol Sci
Anwer F, Anwar S, Rahman A, Ali A, Rauf A, Hanan F, Javeed M.   +6 more
europepmc   +1 more source

Through Diamond Robust Surface Enhanced Raman Spectroscopy

Advanced Functional Materials, EarlyView.
Thin film diamond growth offers a unique opportunity for Surface Enhanced Raman Spectroscopy (SERS); the encapsulation of plasmonic nanostructures within a transparent, chemically stable, and physically robust coating. The diamond acts as both a window and protective layer, enabling illumination of the plasmonic nanostructures through the diamond ...
Kieran N. Twaddle, Rebecca J. Watkins, Ralph J. Moors, Massimiliano L.A. Ramsay, Richard B. Jackman   +4 more
wiley   +1 more source

Epigenome and three-dimensional genome architecture remodeling during NDM29-mediated retro-transformation of neuroblastoma cells. [PDF]

PLoS One
Baldini F, Pagano A, Zeaiter L, Bianchini P, Zbeeb H, Diaspro A, Vergani L.   +6 more
europepmc   +1 more source

Covalent Organic Frameworks for Photocatalytic CO2 Reduction: Metal Integration Principles, Strategies and Functions

Advanced Functional Materials, EarlyView.
Covalent organic frameworks (COFs) with metals have been recognized as versatile platforms for photocatalytic CO2 reduction (CO2PRR). Herein, an overview of metal integration strategies for COFs is systematically summarized. Regulatory mechanisms and structure–activity relationships between metal integration and COF‐based CO2PRR are emphasized.
Jie He, Minxian Zhang, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +5 more
wiley   +1 more source

Anxiolytic-Like Effect of <i>Hyptis crenata</i> Essential Oil: Behavioral Insights and <i>In Silico</i> SERT Modulation. [PDF]

ACS Omega
Lacerda Gomes SM, Cardeal Dos Santos AN, Izidorio JLG, da Cruz Freire JE, Canuto KM, Araújo MC, Félix FSH, Torquato MVV, Martins JER, Gomes-Vasconcelos YA, Silva Alves KS, Leal Cardoso JH, Honório Júnior JER, Coelho de Souza AN.   +13 more
europepmc   +1 more source

3D‐Printed Porous Hydroxyapatite Formed via Enzymatic Mineralization

Advanced Functional Materials, EarlyView.
Bone combines lightness, strength, and the ability to heal, inspiring new materials design. This work introduces a room‐temperature, enzyme‐mediated 3D printing method to create porous hydroxyapatite scaffolds. The process avoids energy‐intensive sintering, preserves bioactivity, and allows control over porosity and mineralization.
Francesca Bono, Anna Puiggalí‐Jou, Greta Cocchi, Mariangela Miccoli, Katharina Maniura‐Weber, Marcy Zenobi‐Wong, Esther Amstad   +6 more
wiley   +1 more source

Exploring the dynamics of a single vesicle induced by Fe₃O₄ nanoparticles using micropipette manipulation. [PDF]

PLoS One
Ahmed N, Nasrin T, Sayem Karal MA.
europepmc   +1 more source