Results 191 to 200 of about 3,015,044 (288)

AI and Computational Methods for Modelling, Simulations and Optimizing of Advanced Systems: Innovations in Complexity. [PDF]

Materials (Basel)
Sosnowski M, Krzywanski J, Grabowska K, Skrobek D, Uddin GM, Kozlowski C, Przybylski J, Deska M.   +7 more
europepmc   +1 more source

Modulating Two‐Photon Absorption in a Pyrene‐Based MOF Series: An In‐Depth Investigation of Structure–Property Relationships

Advanced Functional Materials, EarlyView.
This study investigates H4TBAPy‐based metal–organic frameworks (MOFs) ‐ NU‐1000, NU‐901, SrTBAPy, and BaTBAPy ‐ for multiphoton absorption (MPA) performance. It observes topology‐dependent variations in the 2PA cross‐section, with BaTBAPy exhibiting the highest activity.
Simon N. Deger, Helmy Pacheco Hernandez, Yang Cui, Hongxing Hao, Vanessa Ramm, David C. Mayer, Khai‐Nghi Truong, Roland A. Fischer, Jürgen Hauer, Mariana Kozlowska, Alexander Pöthig   +10 more
wiley   +1 more source

Solvent dependent bioactivity and spectroscopic characterization of neovestitol from Nigerian propolis using experimental and computational methods. [PDF]

Sci Rep
Iyen IS, Edeghor UO, Anyam JV, Samuel HS, Adindu EA, Tor-Anyiin TA, Ekpong BO, Igoli JO.   +7 more
europepmc   +1 more source

Selective Benzene Capture by Metal‐Organic Frameworks

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) hold significant potential for capturing benzene from air emissions and hydrocarbon mixtures in liquid phases. This capability stems from their precisely engineered structures, versatile chemistries, and diverse binding interactions.
Zongsu Han, Ankit Mondal, Jiatong Huo, Yihao Yang, Hong‐Cai Zhou   +4 more
wiley   +1 more source

Artificial intelligence-driven computational methods for antibody design and optimization. [PDF]

MAbs
Vecchietti LF, Wijaya BN, Armanuly A, Hangeldiyev B, Jung H, Lee S, Cha M, Kim HM.   +7 more
europepmc   +1 more source

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

Understanding the characteristic behaviour of the wild-type and mutant structure of FLT3 protein by computational methods. [PDF]

Comput Struct Biotechnol J
Younus S, Tatli Ö, Nasimian A, Kazi JU, Rönnstrand L.   +4 more
europepmc   +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

Prediction and Evaluation of Protein Aggregation with Computational Methods. [PDF]

Methods Mol Biol
Hassan M, Shahzadi S, Li MS, Kloczkowski A.   +3 more
europepmc   +1 more source

Selective and Precise Editing of Digital Polymers Through Parallel or Series Toehold‐Mediated Strand Displacement

Advanced Functional Materials, EarlyView.
A sequence‐encoded supramolecular construct containing two accessible toeholds is developed herein for enabling multiple editing operations. By introducing specific input strands, it is possible to selectively erase or rewrite digital content through parallel or series toehold‐mediated strand displacement (PTMSD or STMSD).
Jakub Ossowski, Cyril Antheaume, Jean‐François Lutz, Maria Nerantzaki   +3 more
wiley   +1 more source