Results 221 to 230 of about 64,395 (263)

Probing into the binding mechanism of phosphorus(V)-corrole with hemoglobin using photophysical and computational approach. [PDF]

Sci Rep
Kritika, Kubba R, Kumar L, Panchal S, Kumar A, Roy I.   +5 more
europepmc   +1 more source

Machine Learning Paradigm for Advanced Battery Electrolyte Development

Carbon Energy, EarlyView.
Electrolyte materials determine ion transport kinetics within the bulk and interphases, ultimately influencing the performance of battery systems. As data‐driven paradigms increasingly reshape materials discovery, this review provides an application‐oriented exploration of the intersection between machine learning and electrolyte science. By evaluating
Chang Su, Mengfan Pei, Keyu Chen, Xigao Jian, Fangyuan Hu   +4 more
wiley   +1 more source

Intelligent design and application of molecular recognition hydrogels in tissue engineering. [PDF]

Mater Today Bio
Xue H, Liu L, Liu L, Lin Z, Gu Q, Lei L, Xie B.   +6 more
europepmc   +1 more source

Denaturation of Water in Alkaline Melts

Chemistry – A European Journal, EarlyView.
Vapor pressure measurements and ab initio molecular‐dynamics simulations reveal that in ultra‐alkaline media with base concentrations up to 70 mol L−1, the activity of water is dramatically reduced by strong bonding interactions. These disrupt traditional hydrogen bonding patterns, alter vapor‐liquid equilibria, and significantly change molecular ...
Xudong Zhang, Oldamur Hollóczki, Johannes Ingenmey, Barbara Kirchner, Michael Ruck   +4 more
wiley   +1 more source

Effect of spin polarization on multifunctional physical properties of the quaternary Heusler alloys CrZCoSn (Z = Zr, Hf) for energy technologies: A comprehensive DFT study. [PDF]

Sci Rep
Kumar K, Dixit A, Mishra AK, Mishra S, Sharma R.   +4 more
europepmc   +1 more source

5,12‐TIPS‐Substitution of Tetracene: Effects on Redox Potentials and Cyclic Voltammetric Behavior in CH2Cl2 and THF1

Chemistry – A European Journal, EarlyView.
Tetracene and bis(tri(isopropyl)silylethynyl)tetracene (TIPS‐tetracene) exhibit characteristic similarities and differences in their electrochemical redox behavior depending on the base solvent of the electrolyte. Analysis of cyclic voltammograms allows the quantification of substituent and solvent effects and the calculation of an “electrochemical gap.
Holger F. Bettinger, Simon Schundelmeier, Bernd Speiser   +2 more
wiley   +1 more source

Picosecond-scale heterogeneous melting of metals at extreme non-equilibrium states. [PDF]

Nat Commun
Zeng Q, Yu X, Chen B, Zhang S, Chen K, Kang D, Dai J.   +6 more
europepmc   +1 more source

Insights into the Photocatalytic Arene Bromination Enabled by Cs2AgBiBr6 Microparticles

Chemistry – A European Journal, EarlyView.
A sustainable photocatalytic bromination of electron‐rich arenes is enabled by low‐toxicity Cs2AgBiBr6 double‐perovskite microparticles using HBr as an atom‐economical bromine source. Surface‐derived bromine radicals drive highly selective mono‐bromination under mild conditions.
Daniele Conelli, Chiara Lo Porto, Mokurala Krishnaiah, Kimmo Lahtonen, G. Krishnamurthy Grandhi, Nicola Margiotta, Paola Vivo, Gian Paolo Suranna, Roberto Grisorio   +8 more
wiley   +1 more source

Landauer's Principle: Past, Present and Future. [PDF]

Entropy (Basel)
Bormashenko E.
europepmc   +1 more source

Room‐Temperature Helix‐to‐Disc Conversion of Thia[6]helicene S,S‐Dioxides to Coronene via In Situ Phenoxide Anion Generation

Chemistry – A European Journal, EarlyView.
In situ phenoxide formation at the benzene terminus triggers room‐temperature conversion of thia[6]helicene S,S‐dioxides to coronene. The solubility contrast drives product precipitation, enabling isolation by simple filtration. This pericyclic annulation between the helical termini provides direct access to coronene‐type planar architectures ...
Kaito Seino, Takashi Murase
wiley   +1 more source