Results 181 to 190 of about 169,382 (267)

Synthesis, Cytotoxic Activity, Antiquorum Sensing Effect, Docking and Md Simulation of Novel 1,3-Disubstituted 2-Mercapto-1H-Benzo[D]Imidazolium Chlorides. [PDF]

J Biochem Mol Toxicol
Mavvaji M, Muhammed MT, Onem E, Aslan HG, Alhag SK, Akkoc S.   +5 more
europepmc   +1 more source

Kelvin Probe Force Microscopy in Bionanotechnology: Current Advances and Future Perspectives

Advanced Materials, EarlyView.
Kelvin probe force microscopy (KPFM) enables the nanoscale mapping of electrostatic surface potentials. While widely applied in materials science, its use in biological systems remains emerging. This review presents recent advances in KPFM applied to biological samples and provides a critical perspective on current limitations and future directions for
Ehsan Rahimi, Mario Palacios‐Corella, Arjan Mol, Salvador Pané, Josep Puigmartí‐Luis   +4 more
wiley   +1 more source

Study of 1,3-Dipolar Cycloaddition Between 4-Acyl-1H-pyrrole-2,3-diones Fused at the [e]-Side with a Heterocyclic Moiety and Diphenylnitrone: A Comprehensive MEDT, Docking Approach and MD Simulation. [PDF]

Molecules
Ameur S, Kącka-Zych A, Moussa Z, Alsantali RI, Zeroual A, Alluhaibi MS, Alsimaree AA, Ahmed SA.   +7 more
europepmc   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

Integrated virtual screening and MD simulation study to discover potential inhibitors of mycobacterial electron transfer flavoprotein oxidoreductase. [PDF]

PLoS One
Arshad K, Salim J, Talat MA, Ashraf A, Kanwal N.   +4 more
europepmc   +1 more source

Microscopic Insights into Magnetic Warping and Time‐Reversal Symmetry Breaking in Topological Surface States of Rare‐Earth‐Doped Bi2Te3

Advanced Materials, EarlyView.
Magnetic doping of the topological insulator Bi2Te3 with erbium adatoms induces out‐of‐plane magnetism and breaks time‐reversal symmetry, opening a Dirac gap and driving a Fermi surface transition from hexagonal to star‐of‐David geometry. Microscopy, spectroscopy, and magnetic dichroism reveal atomically controlled magnetic interactions that tailor the
Beatriz Muñiz Cano, Fabián Calleja, Ji Dai, Massimo Tallarida, Vera Marinova, Alessandro Barla, Marc G. Cuxart, Pierluigi Gargiani, Gonzalo N. Molina, José Angel Silva‐Guillén, Adriana I. Figueroa, Kevin García‐Díez, Sergio O. Valenzuela, Aitor Mugarza, Amadeo L. Vázquez de Parga, Rodolfo Miranda, Francisco Guinea, Manuela Garnica, Miguel A. Valbuena   +18 more
wiley   +1 more source

Identification of novel PAD2 inhibitors using pharmacophore-based virtual screening, molecular docking, and MD simulation studies. [PDF]

Sci Rep
Jha P, Rajoria P, Poonia P, Chopra M.
europepmc   +1 more source

Bioorthogonal Photoactivation of 2‐Nitrobenzyl Caged Doxorubicin Anticancer Prodrugs on Gold Nanostars

Advanced Materials, EarlyView.
Bioorthogonal chemistry was applied to intracellularly photoactivate Doxorubicin (Dox) using gold nanostars (AuNSt) and near‐infrared (NIR) light. Two prodrugs were used: one photoactivatable, masked with 2‐nitrobenzyl carbamate (proDox1) and another photolabile, masked with 2‐nitrobenzyl diol (proDox2), which was attached to the AuNSt surface.
Juan José Esteve‐Moreno, Andrea Escudero, Oscar Ferreira Silvestre, José Manuel Terrés, Mónica Gorbe, Eva Garrido, Carlos Renero‐Lecuna, Judith Langer, María Alfonso, Javier Ibañez, Félix Sancenón, Roberto Cao‐Milán, Luis M. Liz‐Marzán, Alba García‐Fernández, Andy Hernández‐Montoto, Ramón Martínez‐Máñez   +15 more
wiley   +1 more source

6-Bromo quinazoline derivatives as cytotoxic agents: design, synthesis, molecular docking and MD simulation. [PDF]

BMC Chem
Emami L, Hassani M, Mardaneh P, Zare F, Saeedi M, Emami M, Khabnadideh S, Sadeghian S.   +7 more
europepmc   +1 more source

Resolving the Structural Duality of Graphene Grain Boundaries

Advanced Materials, EarlyView.
Cantilever ncAFM resolves the atomic structure of grain boundaries in graphene, revealing coexisting stable and metastable types. Both contain pentagon/heptagon defects, but metastable GBs show irregular geometries. Modeling shows metastable GBs form under compression, exhibiting vertical corrugation, while stable GBs are flat.
Haojie Guo, Emiliano Ventura‐Macías, Mariano D. Jiménez‐Sánchez, Nicoleta Nicoara, Pierre Mallet, Jean‐Yves Veuillen, Vincent T. Renard, Antonio J. Martínez‐Galera, Pablo Pou, Julio Gómez‐Herrero, Rubén Pérez, Iván Brihuega   +11 more
wiley   +1 more source