Salt Effects on Caffeine across Concentration Regimes

S Hervø-Hansen, J Polák, M Tomandlová… - The Journal of …, 2023 - ACS Publications
Salts affect the solvation thermodynamics of molecules of all sizes; the Hofmeister series is a
prime example in which different ions lead to salting-in or salting-out of aqueous proteins …

Supramolecular ensemble of a TICT-AIEE active pyrazine derivative and CuO NPs: a potential photocatalytic system for sonogashira couplings

H Deol, S Pramanik, M Kumar, IA Khan, V Bhalla - ACS Catalysis, 2016 - ACS Publications
The donor–acceptor system 4 having pyrazine scaffold as an acceptor moiety coupled to
donor amino groups through rotatable phenyl rings has been synthesized, which formed …

Insight into the topology effect on the diffusion of ethene and propene in zeolites: A molecular dynamics simulation study

C Wang, B Li, Y Wang, Z Xie - Journal of energy chemistry, 2013 - Elsevier
Selectivity control is a difficult scientific and industrial challenge in methanol-to-olefins (MTO)
conversion. It has been experimentally established that the topology of zeolite catalysts …

Hydrophobic hydration driven self-assembly of curcumin in water: Similarities to nucleation and growth under large metastability, and an analysis of water dynamics at …

MK Hazra, S Roy, B Bagchi - The Journal of chemical physics, 2014 - pubs.aip.org
As the beneficial effects of curcumin have often been reported to be limited to its small
concentrations, we have undertaken a study to find the aggregation properties of curcumin …

Encapsulation of caffeine into starch matrices: Bitterness evaluation and suppression mechanism

M Shao, S Li, CP Tan, S Kraithong, Q Gao, X Fu… - International Journal of …, 2021 - Elsevier
In this study, caffeine (CA) was encapsulated into food-grade starch matrices, including
swelled starch (SS), porous starch (PS), and V-type starch (VS). The bitterness of the …

Hydration structure and dynamics, ultraviolet–visible and fluorescence spectra of caffeine in ambient liquid water. A combined classical molecular dynamics and …

I Skarmoutsos, D Tzeli, ID Petsalakis - Journal of Molecular Liquids, 2023 - Elsevier
The hydration structure and related dynamics of caffeine diluted in ambient liquid water have
been extensively studied by performing classical molecular dynamics simulations, using our …

Understanding the role of temperature change and the presence of NaCl salts on caffeine aggregation in aqueous solution: From structural and thermodynamics point …

B Sharma, S Paul - The Journal of Physical Chemistry B, 2015 - ACS Publications
To examine the molecular level understanding of temperature induced self-association of
caffeine molecules in aqueous solution both in the presence and absence of salt NaCl, we …

Influence of artificial sweeteners sodium saccharin and acesulfame potassium on the hydration properties, taste behavior and solubility of caffeine

A Vukov, TT Borović, M Vraneš - Food Chemistry, 2025 - Elsevier
Caffeine is the most widely used psychoactive compound, due to its bitterness it is often
paired with sweeteners, a role that is increasingly being filled by artificial sweeteners to to …

Effects of dilute aqueous NaCl solution on caffeine aggregation

B Sharma, S Paul - The Journal of Chemical Physics, 2013 - pubs.aip.org
The effect of salt concentration on association properties of caffeine molecule was
investigated by employing molecular dynamics simulations in isothermal-isobaric ensemble …

How the presence of ATP affect caffeine hydration and self-aggregation?

M Vraneš, J Panić, A Tot, S Gadžurić… - Journal of Molecular …, 2020 - Elsevier
Based on data analyzed from volumetric, viscosimetric measurements and computational
simulations, caffeine hydration and aggregation properties in aqueous solutions were …