Results 181 to 190 of about 825,816 (298)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Blue-Shifting Hydridic Hydrogen Bonds in Complexes of (Me₃Si)₃SiH. [PDF]

J Phys Chem A
Lamanec M, Špirko V, Civiš S, Hobza P.
europepmc   +1 more source

Shaping Ti3C2 MXene Nanospheres for Precision Near‐Infrared Photothermal Therapy

Advanced Functional Materials, EarlyView.
In this study, we report producing spherical MXenes via fs laser fragmentation of Ti3C2 flakes in liquid medium. The nanoparticles demonstrated pronounced light absorption and high photothermal conversion efficiencies of 68% and 63% under heating with NIR‐I and NIR‐II lasers, respectively.
Julia S. Babkova, Ivan V. Zelepukin, Konstantin G. Shevchenko, Gleb V. Tikhonowski, Lyubov V. Gorelik, Anton A. Popov, Anna S. Sogomonyan, Alina Yu. Kapitannikova, Ivan S. Kazantsev, Dmitry V. Dyubo, Daria A. Panova, Daniil I. Tselikov, Anton A. Minnekhanov, Aziz B. Mirkasymov, Georgy A. Ermolaev, Alexander V. Syuy, Gleb I. Tselikov, Aleksey V. Arsenin, Andrei V. Kabashin, Kostya S. Novoselov, Sergey M. Deyev, Valentyn S. Volkov   +21 more
wiley   +1 more source

Anomalous rotational-symmetry breaking in proton arrangement of surface-confined cyclic hydrogen bonds revealed by atomic force spectroscopy. [PDF]

Nat Commun
Gao F, Yang C, Lyu Y, Zhang L, Cheng P, Chen L, Wang EG, Klyatskaya S, Zhang C, Ruben M, Meng S, Wu K, Zhang YQ.   +12 more
europepmc   +1 more source

Hydrogen Bonding [PDF]

, 2020
openaire   +1 more source

Cardiac‐Derived ECM Microspheres for Enhanced hiPSC‐CMs Maturation

Advanced Functional Materials, EarlyView.
Cardiac extracellular matrix microspheres derived from decellularized porcine heart provide a biomimetic 3D microenvironment for human induced pluripotent stem cell–derived cardiomyocytes (hiPSC‐CMs). This platform supports short‐ and long‐term culture, enhances structural organization, and promotes electrophysiological and functional maturation of ...
Jiazhu Xu, Joel Aboagye, Marcella Edwards, Nick Rogozinski, Yufeng Wen, Angello Huerta Gomez, Zui Pan, Ge Zhang, Huaxiao Yang, Yi Hong   +9 more
wiley   +1 more source

Structure-Property Relationship between Hard Segments of Shape Memory Polyurethane Copolymers and Interchain Hydrogen Bonds: A Comprehensive Theoretical Study. [PDF]

J Phys Chem B
Didovets Y, Brela MZ.
europepmc   +1 more source

Stabilization of Miscible Aqueous Phases via Diffusion‐Controlled Multifunctional Nanoparticle‐Ligand Complexation

Advanced Functional Materials, EarlyView.
This study presents a versatile approach to harnessing miscible aqueous domains, enabling liquid‐in‐liquid compartmentalization using a barrier formed in situ rather than bulk immiscibility. The barrier forms upon the complexation of multifunctional nanoparticles and ligands at the contact boundary of aqueous phases.
Seyyed Alireza Hashemi, Mahyar Panahi‐Sarmad, Ahmadreza Ghaffarkhah, Vahid Rad, Masoud Soroush, Thomas P. Russell, Orlando J. Rojas, Mohammad Arjmand   +7 more
wiley   +1 more source

Rapid nitrite reduction enabled by secondary sphere hydrogen bonds within non-heme iron complexes. [PDF]

Chem Sci
LaDuca AR, Gonder JE, Sarkar W, Gilbertson JD, Szymczak NK.   +4 more
europepmc   +1 more source

Counterion Dependent Side‐Chain Relaxation Stiffens a Chemically Doped Thienothiophene Copolymer

Advanced Functional Materials, EarlyView.
Oxidation of a thienothiophene copolymer, p(g3TT‐T2), via different doping strategies and dopant molecules resulted in materials with similar oxidation levels and a high electrical conductivity of ≈100 S cm−1. However, mechanical properties varied significantly, with sub‐glass transition temperatures and elastic moduli spanning from –44°C to –3°C and ...
Mariavittoria Craighero, Meghna Jha, Elsa Veronica Flores‐Vela, Joost Kimpel, Andreas Schaefer, Jiali Guo, Jesika Asatryan, Alberto Peinador Veiga, Shuichi Haraguchi, Per‐Anders Carlsson, Jaime Martín, Mariano Campoy‐Quiles, Christian Müller   +12 more
wiley   +1 more source