Results 101 to 110 of about 13,883,468 (305)

Dynamic Implications of Non-Covalent Interactions in Amphiphilic Single-Chain Polymer Nanoparticles [PDF]

Single-chain polymer nanoparticles (SCNPs) combine the chemical diversity of synthetic polymers with the intricate structure of biopolymers, generating versatile biomimetic materials.
Peter, Dykeman-Bermingham, Abigail, Knight, Laura-Roxana, Stingaciu, Changwoo, Do   +3 more
core   +2 more sources

Parametrization of Non-covalent Interactions for Transition State Interrogation Applied to Asymmetric Catalysis [PDF]

, 2017
The use of computed interaction energies and distances as parameters in multivariate correlations is introduced for postulating non-covalent interactions.
Coelho, Jaime A. S., Hilton, Margaret J, F. Dean Toste, Matthew S. Sigman, Orlandi, Manuel, Margaret J. Hilton, Toste, F. Dean, Sigman, Matthew S., Manuel Orlandi, Sigman, Matthew S, Hilton, Margaret J., Jaime A. S. Coelho, Toste, F Dean, Coelho, Jaime AS   +13 more
core   +1 more source

An electron-density point-cloud framework for robust protein-ligand interaction prediction

Nature Communications
Accurate protein-ligand affinity prediction typically depends on precise 3D coordinates, limiting robustness when structures are low-resolution or predicted.
Yujian Liu, Yutong Wang, Qingquan Wang, Meitang Peng, Yuan Chen, Yuechuan Lin, Dongxu Shen, Xiaoli Liu, Shidang Xu, Bin Liu   +9 more
doaj   +1 more source

Mechanochemical Synthesis and Characterization of Nanostructured ErB4 and NdB4 Rare‐Earth Tetraborides

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur, Faruk Kaya, Bora Derin, Mustafa Lütfi Öveçoğlu, Ju Li, Duygu Ağaoğulları   +5 more
wiley   +1 more source

3D‐Printed Titanium Gyroid Scaffold Structure Integrated With Tough Hybrid Materials for Cartilage Replacement

Advanced Engineering Materials, EarlyView.
This study proposes a potential device design for joint cartilage replacement. Silica‐polytetrahydrofuran (SiO2‐PolyTHF) hybrids with customizable mechanical properties were developed to mimic the characteristics of a natural meniscus. These were synthesized through a two‐pot sol–gel hybrid process.
Yu‐Chien Lin, Gloria R. Young, Francesca Tallia, Reece N. Oosterbeek, Shaaz Ghouse, Edward Spiers, Nupur Kohli, Tom Briggs, Marc Masen, Siwei Li, Ren‐Jei Chung, Jonathan R. T. Jeffers, Julian R. Jones   +12 more
wiley   +1 more source

Molecular torsion balances for quantifying non-covalent interactions [PDF]

, 2013
Non-covalent interactions underpin the whole of chemistry and biology, but their study is extremely difficult in complicated biological systems. This thesis presents the application of synthetic molecular balances for gaining fundamental insights into ...
Mati, Ioulia
core  

Unraveling the molecular recognition mechanism of voriconazole and functional monomers in molecularly imprinted polymer design

South African Journal of Chemical Engineering
Molecularly imprinted polymers (MIP) offer highly selective recognition toward target analytes, yet their performance critically depends on the strength and nature of template–monomer interactions in the pre-polymerization stage.
Eko Adi Prasetyanto, Untung Gunawan, Dion Notario, Enade Perdana Istyastono, Meyliana Lukman Djaya, Shakira Aprillia Tanudjaja, Atthar Luqman Ivansyah   +6 more
doaj   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source

Utilizing Hirshfeld surface calculations, non-covalent interaction (NCI) plots and the calculation of interaction energies in the analysis of molecular packing

Acta Crystallographica Section E: Crystallographic Communications, 2019
The analysis of atom-to-atom and/or residue-to-residue contacts remains a favoured mode of analysing the molecular packing in crystals. In this contribution, additional tools are highlighted as methods for analysis in order to complement the ...
Sang Loon Tan, Mukesh M. Jotani, Edward R. T. Tiekink   +2 more
doaj   +1 more source

From Food to Power: Hydrogel Thermoelectrics for Ingestible Electronics

Advanced Functional Materials, EarlyView.
We introduce a fully edible thermoelectric–electrochromic platform that harvests heat from food and converts it into a visible color change. N‐type and p‐type hydrogel thermoelectric generators connected in series power anthocyanin‐based electrochromic displays, demonstrating the feasibility of safe, biodegradable, ingestible systems for on‐food ...
Antonia Georgopoulou, Bokeon Kwak, Dario Floreano, Esther Amstad   +3 more
wiley   +1 more source