Results 201 to 210 of about 598,727 (266)

<i>N</i>-Methylated Nucleobases Crystal Structures and π-π Stacking Interactions. [PDF]

Molecules
Cameli Manzo R, Baran V, Shevchenko A, Sleptsova A, Hoffmann F, Stolar T, Dinnebier RE, Etter M.   +7 more
europepmc   +1 more source

Stepwise On‐Surface Synthesis and Transformations of Two‐Dimensional Covalent Organic Frameworks by Controlled Thermal Stimuli

Advanced Materials, EarlyView.
The seminal transformation of a 2D‐COF (SURFCOF‐IMDEA1) into a 2D porous COF (SURFCOF‐IMDEA2) on Au(111) by a sequential C‐C coupling and ladderization triggered by thermal annealing steps at increasing temperatures is reported. Abstract The development of covalent organic frameworks (COFs) is currently a primary objective in materials science, taking ...
Ana Barragán, Elena Pérez‐Elvira, Diego J. Vicent, Marco Lozano, Diego Soler‐Polo, Koen Lauwaet, José M. Gallego, Rodolfo Miranda, José I. Urgel, Pavel Jelínek, Nazario Martín, David Écija   +11 more
wiley   +1 more source

Synthesis, Crystal Structure, Hirshfeld Surface, RDG, ELF, LOL, DFT, and Molecular Docking Studies of a Binuclear Copper(II) Carboxylate Complex. [PDF]

ChemistryOpen
Ajibola AA, Feizi-Dehnayebi M, Akkoc S, Sieroń L, Maniukiewicz W.   +4 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

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

Development of new quinoline-triazole based hybrids: synthesis, nano-encapsulation, DFT calculations, and evaluation of antidiabetic and antioxidant activity. [PDF]

RSC Adv
Elhalmoushy FM, Abd Al Moaty MN, Hegazy AS, Soliman SM, Sherif M, Ghareeb DA, Hagar M, Fouad MA.   +7 more
europepmc   +1 more source

Spin and Charge Control of Topological End States in Chiral Graphene Nanoribbons on a 2D Ferromagnet

Advanced Materials, EarlyView.
Chiral graphene nanoribbons on a ferromagnetic gadolinium‐gold surface alloy display tunable spin and charge states at their termini. Atomic work function variations and exchange fields enabe transitions between singlet, doublet, and triplet configurations.
Leonard Edens, Francisco Romero‐Lara, Trisha Sai, Kalyan Biswas, Manuel Vilas‐Varela, Thomas Frederiksen, Diego Peña, Fabian Schulz, Jose Ignacio Pascual   +8 more
wiley   +1 more source

Novel piperazine-triazole hybrids as PTP1B and alpha-amylase inhibitors: synthesis, biological evaluation and computational validation through network pharmacology, molecular docking, MD simulations, DFT and MMPBSA analysis. [PDF]

RSC Adv
Haroon M, Kamal S, Mansha A, Zahoor AF.
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

Expanding and Enhancing Neural Network-Based QM-AI Models for the Accurate Prediction of Halogen-π Interaction Energies in Protein Contexts. [PDF]

J Chem Inf Model
Engelhardt MU, Mier F, Zimmermann MO, Boeckler FM.   +3 more
europepmc   +1 more source