Abstract We report on the successful synthesis of diammonium magnesium dihydrogendiphosphate (V) dihydrate compound (NH 4 ) 2 Mg(H P O 7 •2H using a wet chemical route. Single crystal X-ray diffraction analysis and micro Raman spectroscopy are employed to characterize compound. demonstrate, multidisciplinary approach, that this is ideal for carbon dioxide (CO capture in addition other anthropogenic gasses. show here -from both an experimental as well from density functional theory (DFT)...

The thermodynamic and kinetic hydrates inhibition effects of addition synergents poly(ethylene oxide) (PEO) vinyl caprolactum (VCAP) with ionic liquids 1-methyl-1-propylpyrrolidinium chloride [PMPy][Cl] triflate [PMPy][triflate] were studied on a synthetic quaternary gas mixture (methane, C1 = 84.20%; ethane, C2 9.90%; n-hexane, C6+ 0.015%; CO2 2.46%; N2 2.19%). results show that the helps to improve their hydrate effectiveness simultaneously.

Abstract A potential of natural deep eutectic solvent (NADES) produced with the mixture choline chloride lactic acid, malic citric acid and fructose is studied in this work. Experimental techniques are used to collect thermophysical property data including water content, thermal strength, density gas solubility CO 2 N at pressures up 50 bars. Detailed rheological measurements various models have been describe dynamic flow behavior. Moreover, a functional theory (DFT) classical molecular...

The effects of a hydrogen bond acceptor and donor on carbon dioxide absorption via natural deep eutectic solvents were studied in this work. Naturally occurring non-toxic solvent constituents considered; choline chloride, b-alanine, betaine selected as acceptors; lactic acid, malic fructose donors. Experimental gas data collected experimental methods that uses gravimetric principles. Carbon capture for an isolated acceptor, well solvents, collected. In addition to data, theoretical study...

A systematic research work on the rational design of task specific Deep Eutectic Solvents (DES) has been carried out via density functional theory (DFT) in order to increase knowledge key interaction parameters related efficient SO2 capture by DES at a molecular level. total 11 different structures, for which high affinity and solubility is expected, have selected this work. interactions were investigated detail through DFT simulations generated valuable set information about required...

Intracellular ionic strength regulates myriad cellular processes that are fundamental to survival and proliferation, including protein activity, aggregation, phase separation, cell volume. It could be altered by changes in the activity of signaling pathways, such as those impact membrane-localized ion channels or alterations microenvironmental osmolarity. Therefore, there is a demand for development sensitive tools real-time monitoring intracellular strength. Here, we developed...

Abstract Choline chloride + phenylacetic acid‐based deep eutectic solvents are studied. Their most relevant experimental physicochemical properties at different mixing ratios together with the CO 2 solubility data obtained in wide pressure and temperature ranges reported. The presented materials exhibit a significant capture performance low corrosion effect when compared common amine‐based agents. Detailed rheological measurements carried out various models applied to describe dynamic flow...

In this paper, we report high pressure experimental measurements and detailed density functional theory (DFT) as well molecular dynamic (MD) simulations of methane (CH4) solubility in natural deep eutectic solvents (NADESs) that were prepared by using alanine (Al), betaine (Be), choline chloride (ChCl) used hydrogen bond acceptors (HBA) lactic acid (La), malic (Ma), phenylacetic (Paa) donors (HBD). Experiments performed on Al:La, Be:La, ChCl:La, ChCl:Ma, ChCl:Paa systems up to 50 bar at...

Abstract Ligand binding to GAF domains regulates the activity of associated catalytic in various proteins, such as cGMP-hydrolyzing domain phosphodiesterase 5 (PDE5) activated by cGMP GAFa domain. However, specific residues involved and mechanism function remain unclear. Here, we combine computational experimental approaches demonstrate that two highly coevolving residues, L267 F295, distant from ligand site, play a critical role allostery. Statistical Coupling Analysis (SCA) sequences...

Choline chloride plus phenylacetic acid deep eutectic solvent in neat liquid state and upon CO₂ absorption is analyzed using a theoretical approach combining quantum chemistry Density Functional Theory classic molecular dynamics methods.

Carbon dioxide solubility in four ionic liquids (ILs) of different families with cationic–anionic groups (tributylmethylphosphonium formate, butyltrimethylammonium bis(trifluoromethyl sulfonyl) imide, 1-methyl-1-propylpyrrolidinium dicyanamide, and 1-ethyl-3-methylimidazolium acetate) at temperature 298 K a pressure range from vacuum to 10 bar were studied this work using state the art gravimetric sorption experiments. This provides insight information regarding CO2 for IL–IL mixing effect...

Ultrasonic velocity and density values of l-histidine or l-glutamic acid l-tryptophan glycylglycine + 2 mol·L−1 aqueous KCl KNO3 solution have been measured as functions amino dipeptide concentration temperature from T = (298.15 to 323.15) K. Using ultrasonic data, the thermodynamic parameters isentropic compressibility (κs) change in computed. The κs decrease with an increase acid/dipeptide well systems under investigation. solutions has ascribed number incompressible zwitterions solutions.

Abstract The efficient dirubidium cobalt bis(dihydrogendiphosphate) dihydrate compound is successfully synthesized in a solution and used as reactive sorbent for the CO 2 CH 4 gases adsorption storage. A crystal of this Rb Co(H P O 7 ) ·2H has been isolated characterized by single X-ray diffraction analysis was found to crystallize triclinic system ( $$P\overline{1}$$ <mml:math...

Abstract In this work the applicability of four most commonly used viscosity mixing rules to [ionic liquid (IL)+molecular solvent (MS)] systems is assessed. More than one hundred (IL+MS) binary mixtures were selected from literature test proposed by 1) Hind (Hi), 2) Grunberg and Nissan (G–N), 3) Herric (He) 4) Katti Chaudhri (K–C). The analyses performed estimating average (absolute or relative) deviations, AADs ARDs, between available experimental data predicted ideal mixture values...

Adsorption of carbon dioxide (CO2), as well many other kinds small molecules, is importance for industrial and sensing applications. Metal-organic framework (MOF)-based adsorbents are spotlighted such An essential MOF adsorbent application a simple easy fabrication process, preferably from cheap, sustainable, environmentally friendly ligand. Herein, we fabricated novel structural, thermally stable with fluorescence properties, namely Zn [5-oxo-2,3-dihydro-5H-[1,3]-thiazolo...