Results 181 to 190 of about 6,542,741 (296)

Structural heterogeneity and dynamics in the apical stem loop of s2m from SARS-CoV-2 Delta by an integrative NMR spectroscopy and MD simulation approach. [PDF]

Nucleic Acids Res
Wirtz Martin MA, Makowski JA, Matzel T, Kensinger AH, Herr A, Richter C, Jonker HRA, Wacker A, Evanseck JD, Schwalbe H.   +9 more
europepmc   +1 more source

Selective Separation of the Rare Earth Elements Dysprosium and Neodymium via Tailoring Nanocellulose Chemical Structure

Advanced Functional Materials, EarlyView.
Dicarboxylate‐modified anionic hairy cellulose nanocrystals exhibit a high selectivity for dysprosium(III) over neodymium(III). This selectivity arises from disordered dicarboxylate cellulose “hairs” that enable cooperative ionic coordination, hydrogen bonding, and strain‐induced conformational shrinkage.
Roya Koshani, Shang‐Lin Yeh, Karuna Anna Sajeevan, Mica L. Pitcher, Dawson Alexander, Ratul Chowdhury, Amir Sheikhi   +6 more
wiley   +1 more source

Synthesis, Cytotoxic Activity, Antiquorum Sensing Effect, Docking and Md Simulation of Novel 1,3-Disubstituted 2-Mercapto-1H-Benzo[D]Imidazolium Chlorides. [PDF]

J Biochem Mol Toxicol
Mavvaji M, Muhammed MT, Onem E, Aslan HG, Alhag SK, Akkoc S.   +5 more
europepmc   +1 more source

Trap‐Assisted Transport and Neuromorphic Plasticity in Lead‐Free 2D Perovskites PEA2SnI4

Advanced Functional Materials, EarlyView.
An artificial retina built from lead‐free layered perovskite (PEA)2SnI4 converts light input into a persistent photocurrent and sums successive flashes over time. Micro/nanocrystals integrated on electrodes act as synapse‐like pixels that perform temporal integration directly in hardware. This in‐sensor preprocessing merges detection and computation on
Ofelia Durante, Valeria Demontis, Jonas Riisnaes Karl, Lam Hoi Tung, Sebastiano De Stefano, Daniela Marongiu, Adolfo Mazzotti, Aditya Bhardwaj, Francesco Mattana, Elisa Pili, Selene Matta, Federico Paolucci, Michele Saba, Andrea Mura, Giovanni Bongiovanni, Monica F Craciun, Saverio Russo, Antonio Di Bartolomeo   +17 more
wiley   +1 more source

Integrated virtual screening and MD simulation study to discover potential inhibitors of mycobacterial electron transfer flavoprotein oxidoreductase. [PDF]

PLoS One
Arshad K, Salim J, Talat MA, Ashraf A, Kanwal N.   +4 more
europepmc   +1 more source

Quasi‐Static to Supersonic Energy Absorption of Nanoarchitected Tubulanes and Schwarzites

Advanced Functional Materials, EarlyView.
Nanoarchitected energy‐absorptive Tubulanes exhibit record energy absorption under quasi‐static conditions and exceptional inelastic energy dissipation under 750 m s−1 ballistics impact, with high performance spanning strain rates of 12 orders of magnitude.
Peter Serles, Alianna Maguire, Thomas Butruille, Jet Lem, Shuo Yang, Pedro Guerra Demingos, Sahar Choukir, Michel Haché, Boran Kumral, Katherine Jia, Charles Jia, Yu Zou, Chandra Veer Singh, Carlos M. Portela, Jun Lou, Pulickel M. Ajayan, Tobin Filleter   +16 more
wiley   +1 more source

Identification of novel PAD2 inhibitors using pharmacophore-based virtual screening, molecular docking, and MD simulation studies. [PDF]

Sci Rep
Jha P, Rajoria P, Poonia P, Chopra M.
europepmc   +1 more source

Bio‐Inspired Molecular Events in Poly(Ionic Liquids)

Advanced Functional Materials, EarlyView.
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley   +1 more source

6-Bromo quinazoline derivatives as cytotoxic agents: design, synthesis, molecular docking and MD simulation. [PDF]

BMC Chem
Emami L, Hassani M, Mardaneh P, Zare F, Saeedi M, Emami M, Khabnadideh S, Sadeghian S.   +7 more
europepmc   +1 more source

Mimicking Block Copolymer Self‐Assembly with One‐Pot Synthesized Polyphosphoester Gradient Copolymers

Advanced Functional Materials, EarlyView.
Degradable Polyphosphoester (PPE) gradient copolymers (GCPs) are synthesized via one‐pot copolymerization. We show that GCPs self‐assemble into nanostructures like polymersomes, effectively mimicking the behavior of traditional BCPs. The gradient strength is key, with softer gradients favoring micelles.
Suna Azhdari, Timo Rheinberger, Ulrich Mansfeld, Yorick Post, Jürgen Linders, Olga Koshkina, André H. Gröschel, Frederik R. Wurm   +7 more
wiley   +1 more source