Results 111 to 120 of about 3,642 (259)

Solvent‐Driven Conformational Landscapes of a Tetradentate Schiff Base Ligand and Its Metal Complexes: A Genetic Algorithm–Guided VCD Investigation

open access: yesChemistry – A European Journal, EarlyView.
Solvent effects: vibrational circular dichroism (VCD) revealed pronounced solvent‐induced conformational shifts for a tetradentate salen ligand in CDCl3, a solvent generally considered benign. Contrary to the DFT prediction of a single dominant conformer family, quantum cluster growth together with the genetic algorithm guided VCD analysis uncovered ...
Amanda Nhi Tran   +9 more
wiley   +1 more source

Development and evaluation of asphalt binders incorporating binary shape-stabilized composite phase change materials

open access: yesCase Studies in Construction Materials
Phase change materials (PCMs) have been recognized as promising materials for thermoregulation in asphalt pavements. To improve the thermoregulation range and efficiency, two polyethylene glycols with different molecular weights (PEG2000 and PEG10000 ...
Changjiang Kou   +5 more
doaj   +1 more source

Dual Acid Responses of Stable Luminescent Diphenylpyridylmethyl Radicals With Additional Pyridyl Groups

open access: yesChemistry – A European Journal, EarlyView.
To expand the acid‐responsive behavior of diphenylpyridylmethyl stable luminescent radicals, additional pyridyl groups were introduced. Dual acid responsiveness was observed, involving both the newly incorporated pyridyl groups and the PyBTM moieties.
Yohei Hattori   +3 more
wiley   +1 more source

High-throughput screening to identify two-dimensional layered phase-change chalcogenides for embedded memory applications

open access: yesnpj Computational Materials
Chalcogenide phase-change materials (PCMs) are showing versatile possibilities in cutting-edge applications, including non-volatile memory, neuromorphic computing, and nano-photonics.
Suyang Sun   +10 more
doaj   +1 more source

Solvent Effects on the Conformational Preferences of 2,6‐Pyridylcarboxamide Foldamers

open access: yesChemistry – A European Journal, EarlyView.
The marked effect of organic solvents and water/methanol mixtures on the conformational preferences of a soluble chiral foldamer has been established in a diverse array of seventeen distinct environments. ABSTRACT The marked influence of organic solvents and water on the conformational preferences of a chiral, soluble 2,6‐pyridylcarboxamide foldamer ...
Alexander R. Davis   +5 more
wiley   +1 more source

Isodesmic Supramolecular Assembly of Phenylethynylene Bis‐Urea Macrocycles

open access: yesChemistry – A European Journal, EarlyView.
A soluble phenylethynylene bis‐urea macrocycle assembles in polar media via an isodesmic hydrogen bonded mechanism. Spectroscopic and morphological studies reveal nanoscale aggregates with short chain length, while guest additives modulate enthalpy and polymerization, demonstrating tunable supramolecular assembly.
Fahidat A. Gbadamosi   +5 more
wiley   +1 more source

Effects of Biotin on a Fluorescein‐Based Photosensitizer Revealed by Multiscale Computational Modeling

open access: yesChemistry – A European Journal, EarlyView.
Biotinylation of a fluorescein‐based photosensitizer enhances its performance in PDT through a synergistic dual action. In addition to Type II singlet oxygen generation common to both dyes, the biotinylated system induces stronger membrane perturbation and higher local accumulation in lipid membranes, associated with increased water permeability and ...
Valeria Butera   +4 more
wiley   +1 more source

Insights into the roles of natural graphite in phase change materials

open access: yesEcoEnergy
Phase change materials (PCMs) that reversibly release or absorb thermal energy during phase transitions play a significant role in promoting renewable and sustainable energy development.
Zhaodi Tang   +7 more
doaj   +1 more source

Thermally Activated Delayed Fluorescence: An Extended Study of Peripherally Substituted DMAC‐TRZ Analogues

open access: yesChemistry – A European Journal, EarlyView.
A comprehensive experimental and theoretical study is presented of a family of TADF dyes. Comparing the behavior of structurally related dyes, we uncover the subtle and somewhat unexpected role of conformational degrees of freedom associated with peripheral groups that affect the delicate interplay of excited states that governs spin–orbit coupling ...
Andrea Landi   +7 more
wiley   +1 more source

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