Results 141 to 150 of about 89,902 (264)

Eutectozymes as Soft Hybrid Materials for Advanced Biocatalysis

Advanced Materials, EarlyView.
Eutectozymes are sustainable hybrid materials that embed a GOx–HRP cascade within hydrophobic eutectogels featuring a dual supramolecular–covalent network. This architecture preserves native enzyme structure and stability, enables efficient heterogeneous biocatalysis in aqueous media, and positions eutectogels as robust platforms for next‐generation ...
Manuel Eduardo Martinez Cartagena, Lucia Suarez, Aitor Ontoria, Francisca J. Benitez, Elixabete Rezabal, María Soledad Orellano, Marcelo Calderón, Cristián Huck‐Iriart, Agustin S. Picco, Matias L. Picchio, Ana Beloqui   +10 more
wiley   +1 more source

DFT Calculations on Electronic, Thermochemical and Vibrational Properties of Se₆ Selenium Clusters as 5-Fluorouracil Drug Delivery System. [PDF]

BioTech (Basel)
Solano-González LI, Mendoza-Báez R, Agustín-Serrano R, Rodríguez-Mora JI, Morales MA.   +4 more
europepmc   +1 more source

High Charge Carrier Mobility in Non‐Conjugated 3D Covalent Organic Frameworks

Advanced Materials, EarlyView.
A non‐conjugated 3D COF constructed via boronate ester linkages from tetraphenylene and pyrene‐based monomers is reported, which exhibits a high charge carrier mobility of 14 ± 1 cm2 V−1 s−1. ABSTRACT π‐Conjugation, π–π stacking, and long‐range order play a central role in determining charge transport efficiency in organic materials.
Joaquín Almarza, Karol Strutyński, Shuai Fu, Yifan Chen, Natalia M. Padial, Isabel del Barrio Gómez, Carlos Martí‐Gastaldo, Andrei N. Khlobystov, Mischa Bonn, Hai I. Wang, Manuel Melle‐Franco, Aurelio Mateo‐Alonso   +11 more
wiley   +1 more source

Influence of hydrogen on the cohesion and charge density distribution in bcc iron matrix by DFT calculations. [PDF]

Sci Rep
Liu Y, Qiu F, Qu D.
europepmc   +1 more source

One‐Dimensional Materials Supported in Two‐Dimensional Van der Waals Metal–Organic Frameworks with Optical Anisotropy Switching via Twist‐Engineering

Advanced Materials, EarlyView.
We introduce a molecular strategy to assemble one‐dimensional (1D) materials into two‐dimensional (2D) van der Waals metal–organic frameworks (MOFs). Crystals of [FeX(pzX)(bpy)] (X = Cl, F) form anisotropic 2D layers that can be mechanically exfoliated into thin sheets.
Eleni C. Mazarakioti, Carla Boix‐Constant, Iván Gómez‐Muñoz, Diego López‐Alcalá, Sergio Revuelta, Marco Ballabio, Vasileios Balos, José J. Baldoví, Enrique Cánovas, Josep Canet‐Ferrer, Guillermo Mínguez Espallargas, Samuel Mañas‐Valero, Eugenio Coronado   +12 more
wiley   +1 more source

Exploring the Mechanism of Ammonium Dinitramide Synthesis through DFT Calculations. [PDF]

ACS Omega
Queiroz LMSV, Fernandes GFS, Silva JRC, Machado FBC, Ferrão LFA.   +4 more
europepmc   +1 more source

Evidence for Itinerant Ferromagnetic Flat Bands Producing Large Transverse Responses

Advanced Materials, EarlyView.
Itinerant ferromagnetic flat bands are demonstrated in GdCo5 with a high Curie temperature of 940K, a stacked honeycomb–kagome lattice, through angle‐resolved photoemission spectroscopy and magneto‐thermoelectric measurements. These topological flat bands generate large Berry curvaturte, producing gigantic anomalous Nernst effect with record‐high ...
Susumu Minami, Yangming Wang, Seigo Souma, Hiroto Nakamura, Akito Sakai, Takumi Osumi, Hang Su, Hikaru Watanabe, Shun'ichiro Kurosawa, Rikuto Oiwa, Daisuke Nishio‐Hamane, Kosuke Nakayama, Takuya Nomoto, Ryotaro Arita, Takafumi Sato, Satoru Nakatsuji   +15 more
wiley   +1 more source

VeloxChem: Large-Scale DFT Calculations of Geometric Derivatives up to Second Order for Simulation of IR Spectra. [PDF]

J Phys Chem A
Andersen JH, Brumboiu IE, Hodecker M, Li X, Norman P, Rinkevicius Z.   +5 more
europepmc   +1 more source

Sub‐Nanometer Curvature Unlocks Quantum Orbital Flexoelectricity in Graphene

Advanced Materials, EarlyView.
In self‐assembled, reproducible, large‐area, quasi‐pristine graphene nanowrinkles, extreme curvature forces out‐of‐plane π‐electrons toward hybridization, driving a transition from classical to quantum orbital flexoelectricity. As curvature approaches the fundamental physical limit set by the C─C bond length, the resulting polarization increases by ...
Sathvik Ajay Iyengar, James G. McHugh, Jonathan P. Salvage, Robert Vajtai, Venkataramana Gadhamshetty, Alan B. Dalton, Manoj Tripathi, Pulickel M. Ajayan, Vincent Meunier   +8 more
wiley   +1 more source

Unveiling the supramolecular assembly of a novel antimony(iii)-based co-crystal: integrating multi-spectroscopic analyses, DFT calculations, and advanced biological evaluations. [PDF]

RSC Adv
Elleuch N, Lhoste J, Amiard F, Shova S, Boujelbene M, Sellami S.   +5 more
europepmc   +1 more source