Results 231 to 240 of about 2,186,596 (297)

Ideal Molecular Sieving with a Dense MOF for Helium Upgrading with Highly Diffusion Selective Mixed Matrix Membranes

Advanced Functional Materials, EarlyView.
The separation of Helium gas from natural gas is challenging but highly important. MIL‐116(Ga), a “non‐porous” metal–organic framework is used as a molecular sieve to separate He from CH4. Druse‐like MIL‐116(Ga) particles are integrated into polysulfone mixed matrix membranes.
Ayisha Komal, Laura Calderón‐Rodríguez, Oksana Smirnova, Eren Grossmann, Aparna Binu Varghese, Karen Marlenne Garcia Alvarez, Andreas Schneemann, Thomas Hoyer, Ralf Wyrwa, Felix Helmut Schacher, Alexander Knebel   +10 more
wiley   +1 more source

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

Advanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger, Anna Mauri, Yang Cui, Sebastian Josef Weishäupl, Ali Deniz Özdemir, Hamad Syed, Aleksandr Ovsianikov, Wolfgang Wenzel, Alexander Pöthig, Jürgen Hauer, Mariana Kozlowska, Roland Augustinus Fischer   +11 more
wiley   +1 more source

Advancing Electronic Application of Coordination Solids: Enhancing Electron Transport and Device Integration via Surface‐Mounted MOFs (SURMOFs)

Advanced Functional Materials, EarlyView.
The layer‐by‐layer (LbL) assembly of coordination solids, enabled by the surface‐mounted metal‐organic framework (SURMOF) platform, is on the cusp of generating the organic counterpart of the epitaxy of inorganics. The programmable and sequential SURMOF protocol, optimized by machine learning (ML), is suited for accessing high‐quality thin films of ...
Zhengtao Xu, Christof Wöll, Stefan Bräse   +2 more
wiley   +1 more source

NAStructuralDB : structural database to facilitate computational studies of molecular modeling and recognition of proteins with special focus on antibody-antigen interactions. [PDF]

MAbs
Chomicz D, Dudzic P, Wrobel S, Gawlowski T, Demharter S, Spreafico R, Minoux H, Phillips A, Krawczyk K.   +8 more
europepmc   +1 more source

Improving Protein Structure Determination by Integrating Ensemble-Driven Molecular Dynamics with Chemical Shift-Based Restraints. [PDF]

J Chem Inf Model
Gadanecz M, Fazekas Z, Menyhárd DK, Perczel A.   +3 more
europepmc   +1 more source

Temperature-Dependent Active-Site Rearrangements of PETaseSM14: Insights from Molecular Dynamics Simulations. [PDF]

Int J Mol Sci
Nam KH.
europepmc   +1 more source

Structural insights into RNase H catalytic mechanism from room-temperature X-ray and neutron crystallography of apo- and RNA/DNA hybrid-bound enzyme. [PDF]

Curr Res Struct Biol
Gerlits O, Collins A, Kovalevsky A.
europepmc   +1 more source

Computational Screening of Bonding-Controlled Electronic Structures in One-Dimensional Cu/Ag-Based Hybrid Semiconductors. [PDF]

Materials (Basel)
Liu Z, Yang X, He X, Sun Y.
europepmc   +1 more source

Correction for Yanaka et al., Exploring glycoform-dependent dynamic modulations in human immunoglobulin G via computational and experimental approaches. [PDF]

Proc Natl Acad Sci U S A
europepmc   +1 more source