Results 201 to 210 of about 1,019,350 (256)

FunFOLD5: combining localised templates and structural homology for accurate predictions of biologically relevant protein-ligand interactions. [PDF]

Bioinformatics
Adiyaman R, McGuffin LJ.
europepmc   +1 more source

Self‐Assembled Crystalline Peptoid Nanomaterials as Metal‐Free Enzyme Mimics for Enhanced Carbon Dioxide Hydration and Precipitation

Advanced Functional Materials, EarlyView.
Inspired by metal‐free carbonic anhydrases (CAs) that achieve efficient catalysis without metal cofactors, we herein report a sequence‐defined supramolecular peptoid platform that mimics metal‐free CAs and exhibits hydrolytic activity via a supramolecular assembly‐mediated proton‐transfer mechanism.
Progyateg Chakma, Ying Chen, Thi Kim Hoang Trinh, Anthony R. Perez, Jonathan Gil, Maria Casco Hidalgo, Botao Hao, Kyle Whitaker, Chun‐Long Chen   +8 more
wiley   +1 more source

Investigation of Potential Mechanisms of Yerba Santa Compounds Against Alzheimer's Disease. [PDF]

Molecules
Arevalo Navarro M, Alfano C, Cross J, Zhai T, Shen L, Huang Z.   +5 more
europepmc   +1 more source

Graded Metallopolymer Structures with Shape‐Memory Abilities via DLP‐Based 3D‐Printing

Advanced Functional Materials, EarlyView.
This study presents the digital light processing (DLP) based 3D printing of graded metallopolymers featuring shape‐memory abilities. The permanent shape can be recovered in two distinct steps with excellent rates. The obtained graded prints range from simple rod‐like structures to complex hollow materials.
Michael Klein, Michael F. Agyemang, Michael Schmitt, Jürgen Popp, Martin D. Hager, Stefan Zechel, Ulrich S. Schubert   +6 more
wiley   +1 more source

Enhanced charge transport in a Zn(ii) zigzag chain polymer toward photoresponsive Schottky device fabrication. [PDF]

RSC Adv
Hossain E, Sil S, Ahmed J, Chatterjee M, Roy S, Jana S, Mir MH, Mukhopadhyay S.   +7 more
europepmc   +1 more source

Nano Borophene as a Programmable 2D Scaffold for Organized DNA Assembly and Long‐Range Energy Transfer

Advanced Functional Materials, EarlyView.
Borophene is introduced as a programmable 2D bio‐interface that organizes DNA through dual boron–sulfur and nucleobase interactions. This molecular architecture enables efficient long‐range nanosurface energy transfer, establishing new design principles for functional nano–bio interfaces and amplification‐free optical biosensing.
Teresa Aditya, Pranay Saha, John M. Sansalone, Shraddha Krishnakumar, Matthew Molinaro, André J. van der Vlies, Nada Maher, Adrienne Griffiths, Zakhro Zakirova, Ketan Dighe, Narayana R. Aluru, Dipanjan Pan   +11 more
wiley   +1 more source

Automated pharmacophore hypothesis generator for SILCS-Pharm: ph4gen. [PDF]

J Comput Aided Mol Des
Nordquist EB, MacKerell AD.
europepmc   +1 more source

Nitride MXenes Beyond Carbides: Bridging the Gap Between Computational Prediction and Experimental Realization

Advanced Functional Materials, EarlyView.
Nitride MXenes remain constrained by a persistent gap between computational prediction and experimental realization. This Review identifies the thermodynamic, kinetic, and chemical barriers limiting their synthesis, critically evaluates emerging fabrication routes, and proposes a multidimensional computational‐experimental framework to accelerate the ...
Naresh Varnakavi, Masoud Soroush
wiley   +1 more source

Substituent-dependent selective extraction of environmentally relevant metal ions by benzothioates: a combined experimental and DFT study. [PDF]

RSC Adv
Çalışır Ü, Çiçek B.
europepmc   +1 more source

Lewis Acid Site Engineering in MOF‐Derived Aluminum Oxide/Carbon Composites for Dechlorination of Waste Plastic Pyrolysis Oil

Advanced Functional Materials, EarlyView.
Controlled carbonization of an Al‐MOF partially decomposes its linkers, exposing coordinatively unsaturated Al centers within an oxide/carbon composite. The resulting Lewis acid sites, rather than surface area, govern organochlorine capture: the composite removes chemically diverse organochlorines from waste plastic pyrolysis oil, outperforms a ...
Seong Cheon Kim, Byeongju Jeon, Suk Hyun Lim, Eun Hee Kwon, Nam Sun Nho, Siyoung Q. Choi, Jeasung Park   +6 more
wiley   +1 more source