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High-Purity Ethylene Production from Ethane/Ethylene Mixtures at Ambient Conditions by Ethane-Selective Fluorine-Doped Activated Carbon Adsorbents.
ACS Appl Mater Interfaces
January 2025
Department of Chemical Engineering, University of Patras, Patras 26504, Greece.
Energy-efficient separation of light alkanes from alkenes is considered as one of the most important separations of the chemical industry today due to the high energy penalty associated with the applied conventional cryogenic technologies. This study introduces fluorine-doped activated carbon adsorbents, where elemental fluorine incorporation into the carbon matrix plays a unique role in achieving high ethane selectivity. This enhanced selectivity arises from specific interactions between surface-doped fluorine atoms and ethane molecules, coupled with porosity modulation.
View Article and Find Full Text PDFAdsorption and Bulk Assembly of Quaternized Hydroxyethylcellulose-Anionic Surfactant Complexes on Negatively Charged Substrates.
Polymers (Basel)
January 2025
Departamento de Química Física, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, Ciudad Universitaria, Plaza de la Ciencias s/n, 28040 Madrid, Spain.
This study examines the adsorption and bulk assembly behaviour of quaternized hydroxyethylcellulose ethoxylate (QHECE)-sodium dodecyl sulphate (SDS) complexes on negatively charged substrates. Due to its quaternized structure, QHECE, which is used in several industries, including cosmetics, exhibits enhanced electrostatic interactions. The phase behaviour and adsorption mechanisms of QHECE-SDS complexes are investigated using model substrates that mimic the wettability and surface charge of damaged hair fibres.
View Article and Find Full Text PDFValidating Structural Predictions of Conjugated Macromolecules in Espaloma-Enabled Reproducible Workflows.
Int J Mol Sci
January 2025
Micron School of Materials Science and Engineering, Boise State University, Boise, ID 83725, USA.
We incorporated Espaloma forcefield parameterization into MoSDeF tools for performing molecular dynamics simulations of organic molecules with HOOMD-Blue. We compared equilibrium morphologies predicted for perylene and poly-3-hexylthiophene (P3HT) with the ESP-UA forcefield in the present work against prior work using the OPLS-UA forcefield. We found that, after resolving the chemical ambiguities in molecular topologies, ESP-UA is similar to GAFF.
View Article and Find Full Text PDFStructural and Dynamical Response of Lipid Bilayers to Solvation of an Amphiphilic Anesthetic.
J Phys Chem B
January 2025
Department of Polymers for Electronics and Photonics, Institute of Macromolecular Chemistry, Czech Academy of Sciences, Heyrovského nám. 2, Prague 6 162 00, Czech Republic.
The structural response of 1,2-dimyristoyl-glycero-3-phosphatidylcholine (DMPC)/water bilayers to addition and subsequent solvation of a small amphiphilic molecule - an anesthetic benzyl alcohol - was studied by means of solid-state NMR (H NMR, P NMR) spectroscopy and low-angle X-ray diffraction. The sites of binding of this solute molecule within the bilayer were determined - the solute was shown to partition between several sites in the bilayer and the equilibrium was shown to be dynamic and dependent on the level of hydration and temperature. At the same time, it was shown that solubilization of benzyl alcohol reached a solubility limit and was terminated when the ordering profile of DMPC hydrocarbon chains adopted finite limiting values throughout the whole chain.
View Article and Find Full Text PDFUniform volumetric single-cell processing for organ-scale molecular phenotyping.
Nat Biotechnol
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Department of Brain and Cognitive Sciences, Massachusetts Institute of Technology (MIT), Cambridge, MA, USA.
Extending single-cell analysis to intact tissues while maintaining organ-scale spatial information poses a major challenge due to unequal chemical processing of densely packed cells. Here we introduce Continuous Redispersion of Volumetric Equilibrium (CuRVE) in nanoporous matrices, a framework to address this challenge. CuRVE ensures uniform processing of all cells in organ-scale tissues by perpetually maintaining dynamic equilibrium of the tissue's gradually shifting chemical environment.
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