Results 91 to 100 of about 22,587 (278)

Formation of Quasi‐Decoupling Interface on Li‐Metal Anodes in High Donor Electrolyte

Advanced Functional Materials, EarlyView.
Li‐metal anode (LMA) is stabilized by introducing Li2Te2 as an electrolyte additive for Li‐metal batteries. Upon contact with Li, Li2Te2 spontaneously converts to Li2Te, which electronically isolates Li from dimethyl sulfoxide due to its large bandgap and minimal Bader charge transfer.
Hyerim Kim, Sunggun Lim, Shivam Kansara, Jimin Park, Hyoju Lee, Hyokyeong Kang, Soohyung Park, Chihyun Hwang, Hansu Kim, Jang‐Yeon Hwang   +9 more
wiley   +1 more source

A van der Waals Model of Solvation Thermodynamics

Entropy
Exploiting the van der Waals model of liquids, it is possible to derive analytical formulas for the thermodynamic functions governing solvation, the transfer of a solute molecule from a fixed position in the ideal gas phase to a fixed position in the ...
Attila Tortorella, Giuseppe Graziano
doaj   +1 more source

Solubility Temperature Dependence Predicted from 2D Structure

ADMET and DMPK, 2015
The objective of the study was to find a computational procedure to normalize solubility data determined at various temperatures (e.g., 10 – 50 oC) to values at a “reference” temperature (e.g., 25 °C). A simple procedure was devised to predict enthalpies
Alex Avdeef
doaj   +1 more source

Solubility Data and Computational Modeling of Baricitinib in Various (DMSO + Water) Mixtures

Molecules, 2020
The solubility and thermodynamic analysis of baricitinib (BNB) in various dimethyl sulfoxide (DMSO) + water mixtures were performed. The “mole fraction solubilities (xe)” of BNB in DMSO and water mixtures were determined at “T = 298.2–323.2 K” and “p = 0.
Saad M. Alshahrani, Faiyaz Shakeel
doaj   +1 more source

Aqueous Two‐Phase Bioinks for Discrete Packing and Compartmentalization of 3D Bioprinted Cells

Advanced Healthcare Materials, EarlyView.
Aqueous two‐phase systems (ATPS) enable the formation of biomimetic interfaces crucial for tissue engineering. However, clinical translation remains limited by the challenge of precisely controlling cellular compartmentalization. Here, we developed ATPS biomaterial inks for 3D bioprinting allowing tuneable droplet formation via NaCl modulation.
Martina Marcotulli, Arianna Iacomino, Federico Serpe, Lucia Iafrate, Marco Bastioli, Giorgia Montalbano, Michele D'Orazio, Biagio Palmisano, Silvia Franco, Arianna Mencattini, Roberta Angelini, Eugenio Martinelli, Alessandro Corsi, Mara Riminucci, Giancarlo Ruocco, Chiara Scognamiglio, Andrea Barbetta, Gianluca Cidonio   +17 more
wiley   +1 more source

Theoretical Study about the Effect of Halogen Substitution on the Reactivity of Antitumor 3-Formylchromones and Their Free Radicals

Journal of Chemistry, 2017
The mandatory presence of a chlorine atom on the aromatic ring of 6-hydroxy-3-formyl angular chromones, on the respiration inhibition of mammary carcinoma mouse, is explained through a computational study of these compounds.
Maximiliano Martínez-Cifuentes, Boris Weiss-López, Ramiro Araya-Maturana   +2 more
doaj   +1 more source

Copolymers of Poly(Butylene Trans‐1,4‐Cyclohexanedicarboxylate)/Pripol as New Biomaterial Platform for Small Diameter Vascular Graft

Advanced Healthcare Materials, EarlyView.
Electrospun tubular scaffolds from novel PBCE‐based copolyesters and blends were designed as candidates for small‐diameter vascular grafts. They combine defect‐free architecture, blood‐compatible surfaces, and mechanical properties comparable to native vessels.
Edoardo Bondi, Gabriele Obino, Giulia Guidotti, Alberto Sensini, Martijn van Griensven, Antonio Junior Lepedda, Nadia Lotti, Lorenzo Moroni   +7 more
wiley   +1 more source

Synthesis and Characterization of the k^2-acac-O,O Complex Os_(IV)(acac)_2PhCl and Study of CH Activation with Benzene [PDF]

, 2011
We have synthesized and fully characterized the air-stable complex (κ^2-acac-O,O)2Os^(IV)(Ph)Cl (Cl-1-Ph; acac-O,O = acetylacetonate), which reacts with C_6D_6 to generate Cl-1-Ph-d_5 in high yield and catalyzes the H/D exchange reaction between benzene ...
Cheng, Mu-Jeng, Goddard, William A., III, Mironov, Oleg A., Nielsen, Robert J., Periana, Roy A., Stewart, Timothy, Young, Kenneth J. H.   +6 more
core   +1 more source

Water Permeates and Plasticizes Amorphous Carbon Dots: Unraveling the Inner Accessibility of the Nanoparticles by Glass Transition Studies

Advanced Materials, EarlyView.
The water permeability of amorphous carbon dots (CDs) is demonstrated by investigating their plasticization. Novel polyamide‐based and amorphous nanoparticles are synthesized by controlling their inner packing density. Water plasticization is evidenced by the decrease of the CDs glass transition temperature with increasing the hydration degree.
Elisa Sturabotti, Valerio Di Lisio, Lucia Cardo, Alessandro Camilli, Estela Moretón Alfonsín, Daniele Cangialosi, Amaia Iturrospe Ibarra, Arantxa Arbe, Maurizio Prato   +8 more
wiley   +1 more source

Unravelling the Secret of Sulfur Confinement and High Sulfur Utilization in Hybrid Sulfur‐Carbons

Advanced Materials, EarlyView.
Thermal condensation of inverse vulcanized sulfur‐carbon hybrids enables a bottom‐up sulfur confinement strategy, in which a protective carbon phase is progressively constructed around sulfur species. The resulting carbon nanodomains covalently tether sulfur chains and stabilize radical intermediates. This integrated architecture effectively suppresses
Tim Horner, Enis Oğuzhan Eren, Elif Begüm Yılmaz, Jiyong Kim, Ernesto Scoppola, Alexandros Vasileiadis, Nadezda V. Tarakina, Markus Antonietti, Paolo Giusto, Evgeny Senokos   +9 more
wiley   +1 more source