Results 111 to 120 of about 346,816 (296)

Structural, Electronic and Topological Properties of Carboplatin Conjugate with Fullerenol

Доклады Белорусского государственного университета информатики и радиоэлектроники
The article presents the calculation of the structural and electronic characteristics of a conjugate consisting of the drug carboplatin (C6H12N2O4Pt) and a fullerenol (C60(OH)24) nanocarrier by the HF-3c method. Optimization of the geometric structure of
A. L. Pushkarchuk, T. V. Bezyazychnaya, V. I. Potkin, E. A. Dikusar, A. G. Soldatov, S. Ya. Kilin, A. P. Nizovtsev, S. A. Kutsen, D. V. Yermak, T. S. Pivovarchik, D. B. Migas, V. A. Kulchitsky   +11 more
doaj   +1 more source

DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon Nanotubes

E-Journal of Chemistry, 2010
Model calculations are performed to predict the nature of interaction between SWNT and a tripeptide (Lys-Trp-Lys) and to calculate the binding energies and charge transfer between these two species using density functional theory.
Navaratnarajah Kuganathan
doaj   +1 more source

Highly Sensitive Electrochemical Biosensor Based on Hairy Particles with Controllable High Enzyme Loading and Activity

Advanced Functional Materials, EarlyView.
For the first time, a highly sensitive electrochemical biosensor based on SiO2‐based hairy particles with a grafted PDMAEMA polymer brush containing a quantifiable and large amount of immobilized Laccase is reported. The fabricated biosensor exhibits a sensitivity of 0.14 A·m⁻¹, a limit of detection (LOD) of 0.1 µm, and a detection range of 0.3–750 µm,
Pavel Milkin, Anila Antony, Hongtao Cai, Antonia Debevc, Ceyda Topal, Anne Linhardt, Alla Synytska, Leonid Ionov   +7 more
wiley   +1 more source

Clusters of interstitial carbon atoms near the graphite surface as a possible origin of dome-like features observed by STM

, 1999
Formation of clusters of interstitial carbon atoms between the surface and second atomic layers of graphite is demonstrated by means of molecular dynamics simulations.
Bolse, Coratger, Coulson, Drowart, Elesin, Elesin, Elesin, Elesin, Hahn, Huber, Kang, L.A. Openov, Lee, Marton, Marton, Matsukawa, Menon, Nordlund, Openov, Porte, Porte, Raghavachari, Reimann, Taji, Thrower, Tománek, V.F. Elesin, Xu, Xue   +28 more
core   +1 more source

Flexibility and Dynamicity Enhances and Controls Supramolecular Self‐Assembly of Zinc(II) Metallogels

Advanced Functional Materials, EarlyView.
Zinc(II) coordination complexes with tunable aryloxy‐imine ligands exhibit controllable supramolecular self‐assembly into hierarchical fibrous structures. Coordination‐driven stacking, not π–π interactions, enables gelation, dynamic assembly/disassembly, and enhanced nanomechanical properties.
Merlin R. Stühler, Hesam Makki, Dorothee Silbernagl, Mathias Dimde, Kai Ludwig, Bengt E. Tegner, Christopher Greve, Konstantin Rausch, Eva M. Herzig, Anna Köhler, Alex J. Plajer   +10 more
wiley   +1 more source

ESTUDOS BIOFÍSICOS ENTRE BENDAMUSTINA, UM AGENTE ANTITUMORAL ALQUILANTE, E O DNA: CONTRIBUIÇÕES PARA O ENTENDIMENTO DO PROCESSO DE INTERAÇÃO [PDF]

Química Nova
Understanding the interactions between small ligands and (bio)macromolecules is essential for the development of bioactive compounds. This study investigated the interaction between CT-DNA (calf thymus-deoxyribonucleic acid) and bendamustine (BE), a ...
Victorya G. Silva Medeiros, Carla de A. Vital, Ari S. Guimarães, Isis M. Figueiredo, Josué Carinhanha C. Santos   +4 more
doaj   +1 more source

Plane Waves Versus Correlation-Consistent Basis Sets: A Comparison of MP2 Non-Covalent Interaction Energies in the Complete Basis Set Limit. [PDF]

J Chem Theory Comput, 2023
Villard J, Bircher MP, Rothlisberger U.
europepmc   +1 more source

Non-Covalent Interactions in Coordination Chemistry

Inorganics
Non-covalent interactions [...]
Alexey S. Kubasov, Varvara V. Avdeeva
openaire   +2 more sources

Substrate Stress Relaxation Regulates Cell‐Mediated Assembly of Extracellular Matrix

Advanced Functional Materials, EarlyView.
Silicone‐based viscoelastic substrates with tunable stress relaxation reveal how matrix mechanics regulates cellular mechanosensing and cell‐mediated matrix remodelling in the stiff regime. High stress relaxation promotes assembly of fibronectin fibril‐like structures, increased nuclear localization of YAP and formation of β1 integrin‐enriched ...
Jonah L. Voigt, Jens Timmer, Elisabetta Ada Cavalcanti‐Adam   +2 more
wiley   +1 more source

Fast‐Responding O2 Gas Sensor Based on Luminescent Europium Metal‐Organic Frameworks (MOF‐76)

Advanced Functional Materials, EarlyView.
Luminescent MOF‐76 materials based on Eu(III) and mixed Eu(III)/Y(III) show rapid and reversible changes in emission intensity in response to O2 with very short response times. The effect is based on triplet quenching of the linker ligands that act as photosensitizers. Average emission lifetimes of a few milliseconds turn out to be mostly unaffected by
Zhenyu Zhao, Christian Weinberger, Jakob Steube, Matthias Bauer, Martin Brehm, Michael Tiemann   +5 more
wiley   +1 more source