Dimethyl Sulfoxide Water Research Articles

Stability of Detonation Nanodiamond Colloid with Respect to Inorganic Electrolytes and Anionic Surfactants and Solvation of the Particles Surface in DMSO–H2O Organo-Hydrosols

In this article, the stability of sols of detonated nanodiamonds, DND, with positively charged colloidal particles, is studied in different salt solutions in water–dimethyl sulfoxide (DMSO) binary systems containing 95 vol.% organic solvent. Additionally, several CCC values are determined in 95 vol.% acetonitrile for comparison. The critical coagulation concentrations (CCC) are determined using the dynamic light scattering technique and the Fuchs function. As coagulators, NaCl, NaBr, NaNO3, NaClO4, Nan-C8H17SO3, and Nan-C12H25OSO3 are used. Comparison of the CCC values in DMSO–H2O and CH3CN–H2O with those obtained in water allows us to make some conclusions. The variations of these values in different solvents are explained in terms of good and poor interfacial solvation of colloidal particles, “structural” contribution to the interparticle interaction energy, lyotropic series for anions, and more or less pronounced adsorption of surfactants. The study of the stability of DND hydrosol in solutions of anionic surfactants with different hydrocarbon tail length demonstrated the crucial role of adsorption in the coagulation process.

Fingerprint multiplex CARS at high speed based on supercontinuum generation in bulk media and deep learning spectral denoising.

We introduce a broadband coherent anti-Stokes Raman scattering (CARS) microscope based on a 2-MHz repetition rate ytterbium laser generating 1035-nm high-energy (≈µJ level) femtosecond pulses. These features of the driving laser allow producing broadband red-shifted Stokes pulses, covering the whole fingerprint region (400-1800 cm-1), employing supercontinuum generation in a bulk crystal. Our system reaches state-of-the-art acquisition speed (<1 ms/pixel) and unprecedented sensitivity of ≈14.1 mmol/L when detecting dimethyl sulfoxide in water. To further improve the performance of the system and to enhance the signal-to-noise ratio of the CARS spectra, we designed a convolutional neural network for spectral denoising, coupled with a post-processing pipeline to distinguish different chemical species of biological tissues.

Delamination by Repulsive Osmotic Swelling of Synthetic Na-Hectorite with Variable Charge in Binary Dimethyl Sulfoxide-Water Mixtures.

Swelling of clays is hampered by increasing layer charge. With vermiculite-type layer charge densities, crystalline swelling is limited to the two-layer hydrate, while osmotic swelling requires ion exchange with bulky and hydrophilic organic molecules or with Li+ cations to trigger repulsive osmotic swelling. Here, we report on surprising and counterintuitive osmotic swelling behavior of a vermiculite-type synthetic clay [Na0.7]inter[Mg2.3Li0.7]oct[Si4]tetO10F2 in mixtures of water and dimethyl sulfoxide (DMSO). Although swelling in pure water is restricted to crystalline swelling, with the addition of DMSO, osmotic swelling sets in at some threshold composition. Finally, when the DMSO concentration is increased further to 75 vol %, swelling is restricted again to crystalline swelling as expected. Repulsive osmotic swelling thus is observed in a narrow composition range of the binary water-DMSO mixture, where a freezing point suppression is observed. This suppression is related to DMSO and water molecules exhibiting strong interactions leading to stable molecular clusters. Based on this phenomenological observation, we hypothesize that the unexpected swelling behavior might be related to the formation of different complexes of interlayer cations being formed at different compositions. Powder X-ray diffraction and 23Na magic angle spinning-NMR evidence is presented that supports this hypothesis. We propose that the synergistic solvation of the interlayer sodium at favorable compositions exerts a steric pressure by the complexes formed in the interlayer. Concomitantly, the basal spacing is increased to a level, where entropic contributions of interlayer species lead to a spontaneous thermodynamically allowed one-dimensional dissolution of the clay stack.

Dimethyl sulfoxide as a novel thermodynamic inhibitor of carbon dioxide hydrate formation

• Dimethyl sulfoxide decreases the thermodynamic stability of carbon dioxide hydrate. • Obtained CO 2 hydrate dissociation data are reliable and thermodynamically coherent. • Phases of sI hydrate, crystalline ice I h , and solid CO 2 were identified by PXRD. • DMSO avoids inclusion into the CO 2 hydrate framework. • DMSO is an effective thermodynamic inhibitor of CO 2 hydrate formation. The paper investigates dimethyl sulfoxide (DMSO) as a promising inhibitor of gas hydrates. The equilibrium conditions of the CO 2 hydrate were measured over a broad range of temperatures (from 243 K to 283 K) and DMSO concentrations (up to 50 mass%). DMSO decreases the thermodynamic stability of the CO 2 hydrate. Thermodynamic coherence of new hydrate equilibria data was demonstrated. The sI hydrate, crystalline ice I h , and solid CO 2 phases were identified using PXRD at 143 K. Measured unit cell parameter for sI hydrate (11.86 Å) coincided with the pure sI CO 2 hydrate literature value. The DMSO inhibition activity grows much faster in water solution in comparison to lower alcohols. We explain this behavior by the more pronounced non-ideality of DMSO water solutions. Thus, DMSO can be considered an effective thermodynamic inhibitor of the formation of CO 2 hydrate, superior in anti-hydrate activity to alcohol THIs within a specific range.

Determination of Nine Fentanyl Drugs in Hair Samples by GC-MS/MS and LC-MS/MS.

We established GC-MS/MS and LC-MS/MS analysis methods for nine fentanyl drugs in hair samples. Human hairs were prepared by soaking in a solution of water-dimethyl sulfoxide with target analytes. The drugs were norfentanyl, acetyl fentanyl, para-fluorofentanyl, isobutyryl fentanyl, fentanyl, thiofentanyl, 4-fluoroisobutyr fentanyl, ocfentanil, and tetrahydrofuran fentanyl. For a single-factor experiment, a Box–Behnken design-response surface was used to optimize the pretreatment conditions of samples. The prepared samples were quantitatively analyzed by GC-MS/MS and LC-MS/MS. The working curve method was used for quantitative analysis with fentanyl-D5 as the internal standard. The concentrations of the nine fentanyl drugs in the samples were 1.488–6.494 ng mg–1, RSDs < 5.0%. For GC-MS/MS, the linear range of the nine fentanyl drugs was 0.5–5.0 ng mg–1, r2 > 0.999. The detection limits were 0.02–0.05 ng mg–1, and the recovery rates were >86%. For LC-MS/MS, the nine fentanyl drugs had an excellent linear relationship within the concentration range of 3.0–220.0 pg mg–1, r2 > 0.999. The detection limits were 0.05 pg mg–1 and the recovery rates were >84%. The established methods were used for the detection of fentanyl drugs in human hairs, with high sensitivity, accuracy, and specificity. These two methods can be used for the certification of fentanyl certified reference substances (CRMs). In the experiment, the developed hair CRMs, which will continue to be studied in the future, are expected to be used in forensic drug abuse detection.

Influence and Mechanism of Polar Solvents on the Retention Time of Short-Chain Fatty Acids in Gas Chromatography

Short-chain fatty acids (SCFAs), produced by microbes when dietary fiber ferments in the colon, are one of the most studied microbial products despite their volatility and complex matrices, which make analysis challenging. In the current study, we sought to address research gaps by exploring the commonalities and differences between the retention time changes for SCFAs in polar solvents. In one such solvent, dimethyl sulfoxide (DMSO), the retention time of the SCFA acetic acid shows a linear positive correlation with the equal volume increase in the DMSO solvent. We used gas chromatography–mass spectrometry to analyze the retention times of mixed solutions of formic acid, acetic acid, butyric acid, valeric acid, and toluene in the solvents DMSO and water and found that only the retention times of formic acid and acetic acid changed. We further compared the effect of three solvents with similar polarities, DMSO, N-methylpyrrolidone (NMP), and dimethylformamide (DMF), on the retention time of acetic acid and found that it increased in the DMSO–water solution more than in the NMP–water solution and remained unchanged in the DMF–water solution. This finding is consistent with quantum chemical calculations showing that the strength of the hydrogen bond between DMSO and acetic acid is greater than between NMP and acetic acid. Taken together, the chromatographic results and quantum chemical calculations indicate that, in all three solvents, the portion of the molecule with the smallest negative electrostatic potential (red) has high electron density and can easily donate electrons, forming a hydrogen bond with acetic acid. However, the portion with the largest positive electrostatic potential (blue) forms a bond with polyethylene glycol, a column stationary solution with a strong dipole moment, and is adsorbed on the stationary solution in the direction of the dipole moment. Therefore, the retention times of formic acid and acetic acid change under the combined influence of a series of complex intermolecular forces. In the chromatographic column, the outflow rate of DMF is higher than that of acetic acid, and the force of the hydrogen bond between DMF and acetic acid cannot overcome the outflow resistance of acetic acid, so the retention time of the acetic acid in the DMF–water solution does not change. The retention times of butyric acid and valeric acid are unchanged in aprotic polar solvents for the same reason.

Stability of Cobalt(II) Complexes with Glycinate Ion as a Function of Water–Dimethyl Sulfoxide Solvent Composition

Stability of Cobalt(II) Complexes with Glycinate Ion as a Function of Water–Dimethyl Sulfoxide Solvent Composition

Nutraceutical Molecules Slow Down Retinal Degeneration, in Tvrm4 Mice a Model of Retinitis Pigmentosa, by Genetic Modulation of Anti-oxidant Pathway

Rhodopsin (RHO) mutations are responsible for 25–40% of the dominant cases of retinitis pigmentosa (RP) with different severity and progression rates. The Tvrm4 mice, heterozygous for an I307N dominant mutation of RHO, display a normal retinal phenotype when raised in ambient light conditions, but undergo photoreceptor degeneration when briefly exposed to strong white light. Here, The Tvrm4 mice is pre-treated with naringenin 100 mg/kg/die, quercetin 100 mg/kg/die, naringenin 50 + quercercetin 100 mg/kg/die or vehicle dimethyl sulfoxide (DMSO 0.025%) in the drinking water for 35 days. On the 30th day, retinal degeneration was induced by exposure for 1 min to the white light of 12,000 lux intensity, and the treatment was repeated for another 5 days. At the end of the protocol retinal functionality was tested by recording an electroretinogram (ERG). The retinal tissue was collected and was used for further analyses, including immunohistochemically, biochemical, and molecular biology assays. The data obtained show that treatment with nutraceutical molecules is effective in counteracting retinal degeneration by preserving the functionality of photoreceptors and increasing the antioxidant and anti-apoptotic pathways of retinal cells. The present data confirm that nutraceutical molecules are effective in slowing photoreceptor degeneration in a mutation-independent way by modulating the antioxidant response of the retina at the gene expression level.

Sensing non-ideal microheterogeneity in binary mixtures of dimethyl sulfoxide and water

We present a microscopic study of water–dimethyl sulfoxide (DMSO) binary mixtures using optical tweezers and thermal lens techniques. Binary mixtures of DMSO with water show anomalous behavior due to the specific hydrogen bonding ability of DMSO. We use a tightly focused femtosecond laser at a low average power to optically trap microspheres with diameters of 1 micron for use as probes. The binary mixture exhibits various viscosities, depending on its composition ratio, and hence different trapped particle characteristic frequencies (corner frequencies) due to Brownian motion. The power spectrum density method is used to obtain the corner frequency from forward-scattered data. Thus, using low-power optical tweezer experiments, we find that the maximum viscosity occurs at a DMSO mole fraction of 0.276. At higher powers, the propensity for trapping is highly diminished. It may be surprising to note that these viscosity values obtained from the corner frequencies do not exactly match those published in the literature. However, this deviation can be attributed to the thermal behavior of the binary mixture, which affects the Brownian motion and hence the obtained viscosity values. Studies at the microscopic level can thus provide a newer perspective on these already important binary mixtures. Intensity-dependent measurements further confirm the contribution of thermal effects in this study.

Dimethyl Sulfoxide Dentin Pretreatments Do Not Improve Bonding of a Universal Adhesive in Etch-and-Rinse or Self-etch Modes.

To evaluate the influence of dimethyl sulfoxide (DMSO) solutions used as dentin pretreatments on microtensile bond strength (µTBS), as well as the dentin/restoration interface micromorphology of a universal adhesive in etch-and-rinse or self-etch mode. Eighty blocks of dentin were submitted to acid conditioning with 35% phosphoric acid (etch-and-rinse), or not (self-etch), and distributed among the treatments (n = 10): CON: Scotchbond Universal/3M Oral Care; DMSO: pretreatment with DMSO; DMSO/water: pretreatment with DMSO in water (1:1); DMSO/ethanol: pretreatment with DMSO in ethanol (1:1). Microtensile bond strength and failure tests were performed after 24-h and 6-month storage. The tooth-restoration interface was evaluated using scanning electron microscopy to assess the hybrid layer formed. The interaction between treatments, storage time, and etching modes was not significant for µTBS (p = 0.2469). The DMSO, DMSO/water and DMSO/ethanol pretreatments did not affect µTBS values at either time point (p = 0.8732). Aging decreased µTBS over time only for the etch-and-rinse strategy, although the groups presented higher microtensile bond strengths in etch-and-rinse mode than in self-etch mode at both time points (p < 0.0001). The micromorphological images of the interface showed that different DMSO pretreatment solutions did not impair hybrid layer formation. The use of dentin pretreatments containing DMSO did not improve the bonding or the micromorphology of a universal adhesive in etch-and-rinse or self-etch modes.

Mechanistic investigation of cellulose formate to 5-hydroxymethylfurfural conversion in DMSO-H2O

5-hydroxymethylfurfural (HMF) primary can be synthesized from monosaccharides including glucose and fructose, cost is one of barriers to realize HMF large-scale production. In this study, a high HMF yield of 69.6 mol% was obtained at 180℃ for 5 min using biomass derived cellulose formate as reactant, which was prepared by formylation of cellulose using recyclable formic acid, and sequentially catalyzed by hydrochloric acid (HCl) and aluminum chloride (AlCl3) in dimethyl sulfoxide (DMSO) and H2O system. To investigate the effect of cosolvents and formyl groups on the cellulose formate conversion, kinetics analysis and molecular dynamics simulations were conducted. Reaction kinetics study shows that the rate constant of hydrolysis of cellulose formate to glucose increased by almost three times in DMSO-H2O and the reaction rates’ constants of glucose, fructose and HMF to humins decreased with the presence of DMSO. Molecular dynamics simulations show that formyl group and DMSO increased its hydrophilicity around the reactive hydroxyl group on the carbon ring and steric hindrance of formyl group affect the distribution of water molecular and DMSO molecular around formylated glucose, resulting in facilitating the formation of a precursor to fructose and inhibiting the formation of humins during formylated glucose conversion.

On crystallization of water confined in liposomes and cryoprotective action of DMSO.

In this work, the phase behavior of cryoprotective mixtures based on dimethyl sulfoxide (DMSO) mixed with a lipid bilayer consisting of dimyristoyl phosphatidylcholine (DMPC) was studied. This system represented a model of a biological cell and its membrane. The aim of the work was to clarify the origin of the cryoprotective action of low-concentrated mixtures (1–10 vol%) DMSO in water, representing mixtures used in cryopreservation in cell therapy. The combination of experimental techniques of differential scanning calorimetry (DSC) and positron annihilation lifetime spectroscopy (PALS) allowed a study of crystallization behavior of water confined in liposomes imitating the intracellular environment. The ability of liposomes to show the fundamental aspects of water phase behavior seen during freezing of biological cells was proved. The presence of an amorphous freeze-concentrated phase of DMSO in the frozen state was confirmed and its possible crystallization into the DMSO trihydrate and ice during thawing was demonstrated. Correlation between the critical temperature range for the loss of cell viability during slow thawing and the temperatures of freeze-concentrated phase crystallization was found. Based on this finding, possible mechanisms of DMSO cryoprotection are discussed with support brought by results for the studied model system. Quantification of the ice phase fraction in the frozen mixtures revealed that even low concentrations of DMSO can induce a considerable decrease in the amount of ice present.

EFFECT OF THE H2O-EtOH AND H2O-DMSO SOLVENTS ON THE γ-CYCLODEXTRIN SOLVATION

Cyclodextrins are cyclic molecules that consist of D-glucopyranose units connected by α-1,4 glycoside bonds. Cyclodextrins are already used in the composition of drugs to increase the solubility of active substances and are ever more in demand in technologies for the development of new hybrid materials for various industrial processes. A structural feature of cyclodextrins is the presence of a hydrophobic cavity capable of including hydrophobic molecules with the formation of molecular complexes both in solution and in the solid phase. Thermodynamic parameters of cyclodextrin solvation are necessary for the scientific selection of the solvent and prediction of the reactivity of cyclodextrins for carrying out processes with the greatest efficiency. In this regard, in this work, distribution coefficients of γ-cyclodextrin were determined by the method of distribution of the substance between two immiscible phases with a water-dimethyl sulfoxide (water-ethanol) solvent of variable composition and n-hexane and the changes in the Gibbs energy of re-solvation were calculated. The distribution coefficient of γ-CD in mixed solvents is higher than in water. The change in the Gibbs energy during the transfer of γ-CD from water to its mixture with dimethyl sulfoxide and ethanol indicates a weakening of the macrocycle solvation. A comparative analysis of the effect of H2O-EtOH and H2O-DMSO solvents on changes in the solvated state of β-cyclodextrin, hydroxypropyl-β-cyclodextrin, and γ-cyclodextrin was carried out. It was assumed that the changes in the solvated state of cyclodextrins have a major effect on the stability of molecular complexes of cyclodextrins with flavonoids rutin and quercetin in aqueous-ethanol media.

Revisiting the composition dependence of the properties of water-dimethyl sulfoxide liquid mixtures. Molecular dynamics computer simulations

We have revisited the composition dependence of principal properties of liquid water-DMSO mixtures by using the isobaric-isothermal molecular dynamics computer simulations. A set of non-polarizable semi-flexible models for the DMSO molecule combined with the TIP4P-2005 and TIP4P/ε water models is considered. We restrict calculations to atmospheric pressure, 0.1013 MPa, and room temperature, 298.15 K. Composition trends of density, excess mixing volume and excess mixing enthalpy, partial molar volumes and partial molar enthalpies of species, apparent molar volumes are reported. Besides, we explore composition trends of the self-diffusion of species, the static dielectric constant and the surface tension. Evolution of the microscopic structure of the mixture with composition is analyzed in terms of radial distributions functions, coordination numbers and the fractions of hydrogen-bonded molecules. We intend to capture the peculiarities of mixing the species in the mixture upon the DMSO molar fraction and the anomalous behaviors, if manifested in each of the properties under study. The quality of several combinations of the models for species is evaluated in detail to establish the possibility of necessary improvements.

Valuation of Genotoxic Effect of Aqueous Organic Compound with Allium Sativum [Garlic

The current study was deliberate to estimate the genotoxic effect of 1,2,4,5-tetrazin using Allium sativum [Garlic] root chromosomal abnormality analyse. Root tips of Allium sativum were treated with different concentrations of 0.001M, 0.002M, 0.003M, 1,2,4,5-tetrazin with 10% Dimethyl Sulfoxide-Water were used in the current study. After treatment Various types of physiological hydrolyzed, squashed, mitotic index (MI), cytological abnormalities and Chromosomal aberrations rate were scored. Then the results exposed a genotoxicity effect as well as significance reduction in the Mitotic index of toxic effect was found to be dose dependent.

Entropy Effects in Intermolecular Associations of Crown-Ethers and Cyclodextrins with Amino Acids in Aqueous and in Non-Aqueous Media.

The analysis of the ratios of entropy and enthalpy characteristics and their contributions to the change in the Gibbs energy of intermolecular interactions of crown ethers and cyclodextrins with amino acids is carried out. Two different types of macrocycles were chosen for examination: crown ethers with a hydrophilic interior and cyclodextrins with a hydrophobic inner cavity and a hydrophilic exterior. The thermodynamics of complex formation of crown ethers and cyclodextrins with amino acids in water and aqueous-organic solvents of variable composition was examined. The contributions of the entropy solvation of complexes of 18-crown-6 with glycine, alanine, phenylalanine to the change in the entropy of complexation in water-ethanol and water-dimethyl sulfoxide solvents was calculated and analyzed. It was found that the ratios of the entropy and enthalpy solvation of the reagents for these systems have similar trends when moving from water to aqueous-organic mixtures. The relationship between the thermodynamic characteristics and structural features of the complexation processes between cyclodextrins and amino acids has been established. The thermodynamic enthalpy–entropy compensation effect was revealed, and its features for complexation of cyclodextrins and 18-crown-6 were considered. It was concluded that, based on the thermodynamic parameters of molecular complexation, one could judge the mode of the formation of complexes, the main driving forces of the interactions, and the degree of desolvation.

Fluorescent sensing of water in DMSO by 2,4-dinitrophenyl hydrazine derived Schiff base

The quantitative analysis of trace water in organic solvents remains a hotspot in current research because of the importance in both industrial and laboratory scale chemistry. This study introduced a fluorescence chemosensor (L3) for the detection of trace water in dimethyl sulfoxide (DMSO). Addition of water into the DMSO solution of L3 resulted a significant fluorescence enhancement at 533 nm with a detection limit of 0.002 wt%. The fluorescence turn-on response is occurred due to the formation of aggregates of L3. Also, other possible mechanism for trace water detection by L3 in DMSO is attributed to the specific water-L3 interaction and partially to the increase in polarity of the solvent caused by an increase in water concentration. Dynamic light scattering (DLS), 1H NMR, scanning electron microscope (SEM), transmission electron microscope (TEM) and quantum mechanical studies were performed to support the water sensing by L3 in DMSO.

Regularities of the Formation of a Green Superhydrophobic Protective Coating on an Aluminum Alloy after Surface Modification with Stearic Acid Solutions

It has been shown that solutions of stearic acid in a dimethyl sulfoxide–water binary mixture allow superhydrophobic protective coatings to be created on an aluminum alloy surface with a minimum impact on the environment. The superhydrophobicity and self-cleaning ability of the coating that we developed have been confirmed by measurements of droplet wetting angles and roll-off angles. These properties appear due to the formation of a multimodal micro-rough surface that mainly consists of aluminum stearate. The coatings formed in this manner have been studied by ellipsometry, XPS, and scanning probe microscopy. Their protective ability has been estimated by the “droplet-express” method and in a salt fog chamber. The protective ability of the coating is determined by the DMSO/H2O ratio, the concentration of stearic acid, and the duration and temperature of modification of the aluminum alloy; it is controlled by a competition between the processes of aluminum stearate formation and hydrolysis. It has been shown that adsorption of stearic acid on an aluminum stearate coating increases its permeability and decreases its protective capability. The results presented in this article are useful for optimizing the conditions of applying green superhydrophobic stearate coatings on aluminum alloys in order to achieve a maximum protective effect.

Effect of Water–Dimethylsulfoxide Solvent on the Solvation of Hydroxypropyl-β-cyclodextrine

Effect of Water–Dimethylsulfoxide Solvent on the Solvation of Hydroxypropyl-β-cyclodextrine

Complexation of Cyclodextrins with Benzoic Acid in Water-Organic Solvents: A Solvation-Thermodynamic Approach.

The aim of this research is to obtain new data about the complexation between β-cyclodextrin (β-CD) and benzoic acid (BA) as a model reaction of the complex formation of hydrophobic molecules with cyclodextrins (CDs) in various media. This research may help developing cyclodextrin-based pharmaceutical formulations through the choice of the appropriate solvent mixture that may be employed in the industrial application aiming to control the reactions/processes in liquid phase. In this paper, NMR results for the molecular complex formation between BA and β-CD ([BA⊂β-CD]) in D2O-DMSO-d6 and in D2O-EtOH have shown that the stability of the complex in the H2O-DMSO-d6 varies within the experimental error, while decreases in H2O-EtOH. Changes in the Gibbs energy of BA resolvation in water and water–dimethylsulfoxide mixtures have been obtained and have been used in the analysis of the reagent solvation contributions into the Gibbs energy changes of the [BA⊂β-CD] molecular complex formation. Quantum chemical calculations of the interaction energy between β-CD and BA as well as the structure of the [BA⊂β-CD] complex and the energy of β-CD and BA interaction in vacuum and in the medium of water, methanol and dimethylsulfoxide solvents are carried out. The stability of [BA⊂β-CD] complex in H2O-EtOH and H2O-DMSO solvents, obtained by different methods, are compared. The thermodynamic parameters of the [BA⊂β-CD] molecular complexation as well as the reagent solvation contributions in H2O-EtOH and H2O-DMSO mixtures were analyzed by the solvation-thermodynamic approach.