Results 201 to 210 of about 239,615 (282)

A computational dive into tuning nitrosourea adsorption on T-graphene nanosheets. [PDF]

Sci Rep
Dehghanipour M, Kumar A, Kanjariya P, Manjula M, Kalia R, Al-Hasnaawei S, Jayalakshmi DS, Gautam A, Ramaiah G.   +8 more
europepmc   +1 more source

Electrosynthesis of Bioactive Chemicals, From Ions to Pharmaceuticals

Advanced Functional Materials, EarlyView.
This review discusses recent advances in electrosynthesis for biomedical and pharmaceutical applications. It covers key electrochemical materials enabling precise delivery of ions and small molecules for cellular modulation and disease treatment, alongside catalytic systems for pharmaceutical synthesis.
Gwangbin Lee, Sojin Kim, Myeongeun Lee, Kyoungsuk Jin, Jimin Park   +4 more
wiley   +1 more source

Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parameters. [PDF]

NPJ Comput Mater
Schmitz NF, Ploumhans B, Herbst MF.
europepmc   +1 more source

Three‐dimensional Antimony Sulfide Based Flat Optics

Advanced Functional Materials, EarlyView.
This work presents the development of a grayscale electron beam lithography (g‐EBL) method for fabricating antimony trisulfide (Sb2S3) nanostructures with customizable 3D profiles. The refractive index of g‐EBL patterned Sb2S3 is determined based on the synergy of genetic algorithm and transfer matrix method.
Wei Wang, Uwe Hübner, Anne Gärtner, Tao Chen, Joseph Köbel, Franka Jahn, Daniel Repp, Abhrodeep Dey, Henrik Schneidwind, Andrea Dellith, Jan Dellith, Torsten Wieduwilt, Matthias Zeisberger, Tanveer Ahmed Shaik, Astrid Bingel, Markus A. Schmidt, Jer‐Shing Huang, Ulf Peschel, Volker Deckert   +18 more
wiley   +1 more source

Computational elucidation of stomidazolone mediated inhibition of stomatal differentiation and its implication in plant developmental regulation. [PDF]

PLoS One
Tariq SS, Qureshi U, Mushtaq M, Nasim M, Nur-E-Alam M, AlHowiriny TA, Wang Y, Ul-Haq Z.   +7 more
europepmc   +1 more source

‘Oxygen Bound to Magnesium’ as High Voltage Redox Center Causes Sloping of the Potential Profile in Mg‐Doped Layered Oxides for Na‐Ion Batteries

Advanced Functional Materials, EarlyView.
Na‐ion batteries ‐ Impact of doping on the oxygen redox: The sloping potential of NaMg0.1Ni0.4Mn0.5O2 above 4.0 V is caused by a new redox center (arising from the ‘O bound to Mg’), having a higher potential but being more irreversible compared to the ‘O bound to Ni’.
Yongchun Li, Konstantin Köster, Katherine A. Mazzio, Yanan Sun, Annica I. Freytag, Deniz Wong, Christian Schulz, Götz Schuck, Volodymyr Baran, Alba San Jose Mendez, Marcin Zając, Payam Kaghazchi, Philipp Adelhelm   +12 more
wiley   +1 more source

Unraveling the influence mechanisms of different substituents on the chemical activity of N-heterocyclic phosphines via theoretical calculations. [PDF]

J Mol Model
Chen Y.
europepmc   +1 more source

Generating Cell Surface Nucleated Hydrogels with an Artificial Membrane‐Binding Transglutaminase

Advanced Functional Materials, EarlyView.
Cell‐based therapies require advanced strategies to enhance cell delivery and bioactivity. Cell membrane engineering offers an avenue to impart new functions to delivered cells to boost their viability and function. Here, an artificial membrane‐binding transglutaminase is generated and biophysically characterized.
Rosalia Cuahtecontzi Delint, Tao Li, Kapil D. Patel, Will H. Zhang, Ben M. Carter, Graham J. Day, Adam W. Perriman   +6 more
wiley   +1 more source

Electric fields enhance Diels-Alderase catalysis in abyssomicin C biosynthesis.

Chem Commun (Camb)
Recabarren R, Johns ST, Bunzel HA, Vöhringer-Martinez E, van der Kamp MW.   +4 more
europepmc   +1 more source

Why things look the way they do: we live in a Cartesian grid of reified concepts. [PDF]

Front Psychol
Brown GC.
europepmc   +1 more source