The Polar Cosolvent Effect on Caffeine Solvation in Supercritical CO2–Ethanol Mixtures: A Molecular Modeling Approach-Reference-Cited by-同舟云学术

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The Polar Cosolvent Effect on Caffeine Solvation in Supercritical CO2–Ethanol Mixtures: A Molecular Modeling Approach

Published:2021-07-28 Issue:31 Volume:60 Page:11834-11847
ISSN:0888-5885
Container-title:Industrial & Engineering Chemistry Research
language:en
Short-container-title:Ind. Eng. Chem. Res.

Author:

Skarmoutsos Ioannis¹^ORCID,Petsalakis Ioannis D.¹,Samios Jannis²

Affiliation:

1. Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Vas. Constantinou 48, GR-116 35 Athens, Greece

2. Department of Chemistry, Laboratory of Physical Chemistry, National & Kapodistrian University of Athens, Panepistimiopolis, 157-71 Athens, Greece

Publisher

American Chemical Society (ACS)

Subject

Industrial and Manufacturing Engineering,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.iecr.1c00956

Reference63 articles.

1. Caffeine (1, 3, 7-trimethylxanthine) in Foods: A Comprehensive Review on Consumption, Functionality, Safety, and Regulatory Matters

2. Simultaneous Determination of Acetylsalicylic Acid and Caffeine in Pharmaceutical Formulation by First Derivative Synchronous Fluorimetric Method

3. Caffeine and the central nervous system: mechanisms of action, biochemical, metabolic and psychostimulant effects

4. A review of caffeine’s effects on cognitive, physical and occupational performance

5. Hypertension Risk Status and Effect of Caffeine on Blood Pressure

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2. Substantial breakdown of the hydrogen-bonding network, local density inhomogeneities and fluid-liquid structural transitions in supercritical octanol-1: A molecular dynamics investigation;The Journal of Chemical Physics;2024-07-26

3. Molecular dynamics simulation of polycyclic aromatic hydrocarbons solvation behavior in supercritical carbon dioxide under different pressure and temperature;The Journal of Supercritical Fluids;2024-06

4. Solvation structure and dynamics of favipiravir in supercritical CO2. A molecular dynamics investigation;Journal of Molecular Liquids;2023-12

5. Hydration structure and dynamics, ultraviolet–visible and fluorescence spectra of caffeine in ambient liquid water. A combined classical molecular dynamics and quantum chemical study;Journal of Molecular Liquids;2023-12

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