Dimethyl Sulfone Research Articles

Effects of Chronic Ethanol Exposure on Citrinin Metabolism and Gut-Liver-Kidney-Brain Related Injuries in Mice

Citrinin (CIT), a mycotoxin, is a secondary metabolite produced by Monascus. However, few studies have reported the physiological effects of CIT metabolites in vivo, particularly in conjunction with chronic ethanol exposure. In this study, the effects of CIT metabolites and injuries in Balb/c mice exposed to CIT for 28 d with/without ethanol co-exposure were investigated. Ethanol co-exposure caused gut barrier injury and a decrease in the levels of CIT and its metabolites in the gut. Meanwhile, CIT metabolites significantly increased in the liver, kidney, and hippocampus. Under co-exposure conditions, the length and density of intestinal villi in the mice were reduced, while concentrations of acetic acid and propionic acid were increased. CIT exposure significantly promoted a decrease in Lactobacillus and increases in Bacteroidetes, Prevotella, and Ruminococcus. While CIT alone had no significant effect on the hippocampus, co-exposure to CIT and alcohol induced hippocampus injury and exacerbated liver damage. Correlation analysis revealed an enhanced positive correlation between increased CIT metabolites and tryptophan metabolism, as well as alanine, aspartate, and glutamate metabolism pathways, and a negative correlation with purine metabolism and sulfur metabolism pathways, according to the gut-liver-kidney and gut-liver-brain metabolic axes. Orotic acid and dimethyl sulfone served as biomarkers for co-exposure-induced brain injury. These findings suggest that co-exposure enhances CIT metabolism, exacerbates injuries to the intestine, liver, kidney, and brain, and leads to metabolic disorders.

Biomarkers of Frailty in Patients with Advanced Chronic Liver Disease Undergoing a Multifactorial Intervention Consisting of Home Exercise, Branched-Chain Amino Acids, and Probiotics.

Frailty in cirrhosis or advanced chronic liver disease (ACLD) is a relevant prognostic factor. In the present study, we aimed to analyze potential biomarkers associated with frailty and its improvement in patients with ACLD. We analyzed the serum of outpatients with ACLD who participated in a previous study (Román, Hepatol Commun 2024) in which frailty was assessed using the liver frailty index (LFI), and patients who were frail or prefrail were randomized to a multifactorial intervention (home exercise, branched-chain amino acids, and probiotics) or control for 12 months. We determined a biomarker battery of inflammation, bacterial translocation, and liver damage in blood and urine and blood metabolomics by 1H-NMR. Thirty-seven patients were included. According to the LFI, 32 patients were frail or prefrail, and 5 were robust. At baseline, LFI correlated with LBP, sCD163, mtDNA, FGF-21, urinary NGAL, urinary claudin-3, and the metabolites mannose, ethanol, and isoleucine. During the study, patients in the intervention group showed an improvement in LFI and a decrease in CRP, LBP, sCD163, and ccK18 compared to the control group. Metabolomics showed a decrease in dimethyl sulfone and creatinine and an increase in malonate, ornithine, isoleucine, and valine in the intervention group. We conclude that frailty in patients with ACLD is associated with biomarkers of systemic inflammation, bacterial translocation, and liver damage, and alterations of amino acid and short-chain fatty acid metabolism.

Study on 13C MultiCP/MAS ssNMR Analysis of Tobacco Pectin

Background: As one of the most important economic crops, tobacco products have a long history and dominate the development of the world economy. Pectin, as a complex colloidal substance widely present in plant cell walls, its content is an important factor affecting the safety of tobacco smoking. Objective: This study aimed to analyze the content and structure of pectin in tobacco samples Methods: In this study, tobacco pectin was extracted by ultrasonic-assisted ionic liquid extraction, and the 13C MultiCP/MAS NMR spectral analysis of pectin was conducted. Results: The type of extractant, duration of ultrasonication, extraction temperature, and solid-liquid ratio were optimized. Under the conditions of using 1-Butyl-3-methylimidazolium tetrafluoroborate ([Bmim]BF4) as the extractant, the solid-liquid ratio of 1:20 g/mL, and the ultrasonic power of 600 w for 30 min at 30°C, the yield of 23.7% of tobacco stem pectin and the purity of 54.2% could be obtained. The optimized MultiCP sequence parameters, with 10 CP cycles of 1.0 ms and the repolarization time of 50 ms could obtain high-resolution spectra within a time of 1.0 h. The C-6 peaks of the pectin in spectra were fitted using the spectral deconvolution technique and calculated the methylesterification (DM) of the tobacco pectin, which was generally less than 50% and belonged to the low methyl esterification pectin. The pectin content of the tobacco sample was calculated using the standard curve method with the addition of dimethyl sulfone (DMS) as an internal reference. The results of this method were consistent with the colorimetric method. Conclusion: The 13C MultiCP/MAS NMR method has the advantages of being green, fast, and accurate and provides a new technical tool for quantitative and qualitative studies of cell wall substances in tobacco samples.

Widening the Operational Temperature Range of Lithium Batteries Using Flame-Retardant Sulfone-Based Highly Concentrated Electrolytes

High-concentration Li salt/sulfone solutions have attracted attention as promising liquid electrolytes for Li batteries owing to their high oxidative stability, nonflammability, and high Li+ ion transference number (t Li+). Herein, we report the temperature-dependent electrolyte properties of a sulfone-based ternary mixture composed of LiN(SO2F)2, sulfolane, and dimethyl sulfone, which enables Li batteries to operate in a wide temperature range. At −20 °C, the rate capability of a Li/LiCoO2 cell with the sulfone-based electrolyte was comparable to that with a conventional carbonate-based electrolyte, even though the ionic conductivity of the electrolyte was significantly lower in the former case (0.11 versus 2.92 mS cm−1). This is because the former electrolyte has a higher t Li+ value, effectively suppressing the concentration overpotential during cell charging and discharging. Moreover, the vapor pressure was much lower for the sulfone-based electrolyte than for the carbonate-based one, and the Li/LiCoO2 cell with the former electrolyte was successfully operated at 60 °C. This study provides insights into the characteristics of high-concentration electrolytes that affect the temperature dependence of Li battery performance.

Determination of singlet oxygen quantum yield based on the behavior of solvent dimethyl sulfoxide oxidation by singlet oxygen

BackgroundPhotodynamic therapy (PDT) is emerging as a promising cancer treatment. The PDT efficacy is primarily attributed to the generation of singlet oxygen (1O2), stemming from the integrated effects of the photosensitizer, oxygen, and light. The singlet oxygen quantum yield (ΦΔ) serves as a bridge that links these parameters to the overall efficacy of PDT. The near-infrared luminescence of 1O2 provides a direct way for determining ΦΔ, but suffers from a poor signal-to-noise ratio. While the chemical trap probe method is detection-friendly, but it has a strict requirement for the excitation wavelength. Therefore, the existing methods for ΦΔ measurement are insufficient. ResultsIn this work, we developed an approach to determine ΦΔ of a broader range of photosensitizers using only the commonly used solvent dimethyl sulfoxide (DMSO), which can be oxidized by 1O2 to dimethyl sulfone. This method establishes the relationship between 1O2 production and changes in DMSO absorption spectra, eliminating the need for additional chemical probes. This method was validated by measuring the ΦΔ of rose bengal (RB) through systematic changes in absorption spectrum of DMSO under various RB concentrations and different excitation light power densities. Moreover, the ΦΔ of hematoporphyrin monomethyl ether (HMME), as determined by this method, is consistent with measurements obtained using the 1,3-diphenylisobenzofuran (DPBF) trapping probe. This consistency further validates the reliability of this method. Significance and noveltyThis work presents a direct, probe-free method to determine ΦΔ, reducing potential interference and expanding the range of useable excitation wavelengths. Its ability to measure ΦΔ using only DMSO enhances the accuracy of photosensitizer measurement, and broadens the applicability of the method to a wide range of samples, thereby advancing research on the properties of photosensitizers and further promoting the development of PDT.

Isoliquiritigenin Modulates the Effect of LINC01503 on Lung Squamous Carcinoma Cells

Isoliquiritigenin (ISL) is an important pharmacological constituent of Glycyrrhiza glabra, which possesses a range of physiological and pharmacological activities, as well as significant antitumor activity, and can be used as a potential drug for targeted cancer therapy. LINC01503 is an oncogene, which has been closely associated with the malignant biological processes of many cancers. The aim of this study was to investigate the effects of ISL on the proliferation, apoptosis, invasion and migration of lung squamous carcinoma cells by regulating LINC01503. Plasma was collected from lung squamous carcinoma patients and healthy individuals treated at Tangshan People's Hospital from January 2021 to December 2022. The expression of LINC01503 in lung squamous carcinoma plasma, tissues and cells was detected by real-time quantitative fluorescence polymerase chain reaction (qRT-PCR). Lung squamous carcinoma cells were treated with different concentrations of ISL for 24 h, and LINC01503 expression was detected by qRT-PCR. The cells were treated in groups: si-NC group, si-LINC01503 group, DMSO (0.1% dimethyl sulfone) group, ISL group, pc DNA3.1(+)-NC group, pc DNA3.1(+)-LINC01503 group, ISL+pc DNA3.1(+)-NC group and ISL+pc DNA3.1(+)- LINC01503 groups. CCK-8 assay, clone formation assay, flow cytometry, Transwell assay and scratch assay were used to explore the effect of LINC01503 on the functional phenotype of lung squamous carcinoma cells. Fluorescence in situ hybridization results showed that the average fluorescence intensity of LINC01503 in tissue microarrays of lung squamous carcinoma patients was higher than that in paracancerous tissues (P<0.05). The expression of LINC01503 in the plasma of patients with lung squamous carcinoma was higher than that in the plasma of healthy individuals (P<0.05). Knockdown of LINC01503 inhibited the proliferation, invasion and migration of lung squamous carcinoma cells and promoted apoptosis (P<0.05). ISL inhibited the proliferation, invasion, migration and promoted apoptosis of lung squamous carcinoma cells (P<0.05). Overexpression of LINC01503 followed by intervention with ISL reversed the promotional effect of overexpression of LINC01503 on the proliferation, invasion and migration of lung squamous carcinoma cells as well as the inhibitory effect on apoptosis (P<0.05). LINC01503 was highly expressed in lung squamous carcinoma, and LINC01503 could promote the proliferation, invasion and migration of lung squamous carcinoma cells and inhibit the apoptosis, ISL could inhibit the proliferation, invasion and migration of lung squamous carcinoma cells and promote apoptosis of lung squamous carcinoma cells by regulating the expression of LINC01503.

Low-frequency Raman spectrum of methamphetamine hydrochloride and its alterations induced by impurities

Methamphetamine is one of the most abused drugs worldwide. Forensic laboratories have developed various methods to analyze methamphetamine for identifying and comparing seizures. These methods basically focus on the physicochemical properties of the methamphetamine molecule. Because methamphetamine is commonly distributed in its hydrochloride salt form, information on the crystalline state of methamphetamine could give new insight for forensic drug analysis. To grasp this information, we applied low-frequency Raman spectroscopy to methamphetamine hydrochloride. A laboratory-built low-frequency Raman microspectrometer was used for measuring low-frequency Raman spectra of optically pure and racemic methamphetamine hydrochloride. A mixture of methamphetamine hydrochloride with dimethyl sulfone, which is frequently added as a diluent to illicit methamphetamines, was also measured. An ab initio calculation was performed to assign peaks in the low-frequency spectra. The phonon modes of methamphetamine hydrochloride, and their changes induced by impurities are discussed. To the best of our knowledge, this is the first reported application of low-frequency Raman spectroscopy technique to methamphetamine hydrochloride.

A comparative study to determine the key aroma components of yogurt aroma types based on Sensomics and Flavoromics

This study used Sensomics to examine four previously obtained yogurt aroma type profiles. 14 key aroma-active compounds were identified as significant contributors (p ≤ 0.05) in the four aroma types using gas chromatography–mass spectrometry-olfactometry (GC–MS/O), aroma extract dilution analysis (AEDA), odor activity values (OAV), and aroma recombination and omission experiments. The Sensomics and previous Flavoromics results were compared, showing that Flavoromics identified 10 indicator compounds for distinguishing aroma types. Eight were the same as the key aroma-active compounds identified via Sensomics, namely acetic acid, pentanoic acid, decanoic acid, 3-hydroxy-2-butanone, 2,3-pentanedione, acetaldehyde, δ-decalactone, and dimethyl sulfone. Sensomics revealed a prominent similarity between the categories of key aroma-active compounds of the four aroma types, with a higher sensory contribution. Flavoromics showed less overlapping between the indicator compounds, mainly related to the distinction between the four aroma types. Sensomics and Flavoromics serve distinct research objectives and should be selected according to the study subject.

Changes in Serum Metabolome Following Low-Energy Diet-Induced Weight Loss in Women with Overweight and Prediabetes: A PREVIEW-New Zealand Sub-Study.

As obesity develops, metabolic changes increase the risk of non-communicable diseases such as type 2 diabetes (T2D). Weight loss is crucial for improving health in T2D and cardiometabolic conditions. However, weight loss rates vary between individuals, even with identical diets or energy restrictions, highlighting the need to identify markers or predictors of weight loss success to enhance intervention outcomes. Using nuclear magnetic resonance (NMR) spectroscopy-based metabolomics, we investigated the change in serum polar metabolites in 28 women with overweight or obesity and prediabetes who completed an 8-week low-energy diet (LED) as part of the PREVIEW (PREVention of diabetes through lifestyle intervention and population studies in Europe and around the World) clinical trial. We aimed to characterize the metabolic shift in substrate oxidation under fixed energy intake (~4 MJ/day) and its relation to weight loss success. Nine of the thirty-four serum metabolites identified significantly changed during the LED phase: 3-hydroxybutyrate, O-acetylcarnitine, 2-hydroxybutyrate, mannose, dimethyl sulfone and isobutyrate increased, whilst choline, creatine and tyrosine decreased. These results confirmed a shift towards lipid oxidation, but no metabolites predicted the response to the LED-induced weight loss. Further studies in larger populations are required to validate these metabolites as biomarkers of diet exposure.

Enhancement of Mechanical Properties of PCL/PLA/DMSO2 Composites for Bone Tissue Engineering

Bone tissue engineering shows potential for regenerating or replacing damaged bone tissues by utilizing biomaterials renowned for their biocompatibility and structural support capabilities. Among these biomaterials, polycaprolactone (PCL) and polylactic acid (PLA) have gained attention due to their biodegradability and versatile applications. However, challenges such as low degradation rates and poor mechanical properties limit their effectiveness. Dimethyl sulfone (DMSO2) has emerged as a potential additive to address these limitations, offering benefits such as reduced viscosity, increased degradation time, and enhanced surface tension. In this study, we investigate tailored composites comprising PLA, PCL, and DMSO2 to enhance mechanical properties and hydrophilicity. Through material characterization and mechanical testing, we found that the addition of DMSO2 led to improvements in the yield strength, modulus, and hydrophilicity of the composites. PCL and DMSO2 10, 20, and 30 wt% were premixed, and 20 wt% PCL + 10, 20, and 30 wt% DMSO2 were mixed with PLA. Specifically, PLA/PCL/DMSO2 composites exhibited higher yield strengths and moduli compared to pure PLA, pure PCL, and PLA/PCL composites. Moreover, the hydrophilicity of the composites increased with DMSO2 concentration, facilitating cell attachment. Fourier-transform infrared spectroscopy (FTIR) confirmed the presence of –COOH and –COH bands in PLA/PCL/DMSO2 composites, indicating chemical interactions between DMSO2 and the polymer matrix. Fractography analysis revealed enhanced interface adhesion in PLA/PCL/DMSO2 composites due to the hydrogen bonding. Overall, this study demonstrates the potential of PLA/PCL/DMSO2 composites in bone tissue engineering applications, offering improved mechanical properties and enhanced cell compatibility. The findings contribute to the advancement of biomaterials for additive manufacturing in tissue engineering and regenerative medicine.

Rheological Properties and 3D Printing Behavior of PCL and DMSO2 Composites for Bio-Scaffold.

The significance of rheology in the context of bio three-dimensional (3D) printing lies in its impact on the printing behavior, which shapes material flow and the layer-by-layer stacking process. The objective of this study is to evaluate the rheological and printing behaviors of polycaprolactone (PCL) and dimethyl sulfone (DMSO2) composites. The rheological properties were examined using a rotational rheometer, employing a frequency sweep test. Simultaneously, the printing behavior was investigated using a material extrusion 3D printer, encompassing varying printing temperatures and pressures. Across the temperature range of 120-140 °C, both PCL and PCL/DMSO2 composites demonstrated liquid-like behavior, with a higher loss modulus than storage modulus. This behavior exhibited shear-thinning characteristics. The addition of DMSO2 10, 20, and 30 wt% into the PCL matrix reduced a zero-shear viscosity of 33, 46, and 74% compared to PCL, respectively. The materials exhibited extrusion velocities spanning from 0.0850 to 6.58 mm/s, with velocity being governed by the reciprocal of viscosity. A significant alteration in viscosity by temperature change directly led to a pronounced fluctuation in extrusion velocity. Extrusion velocities below 0.21 mm/s led to the production of unstable printed lines. The presence of distinct viscosities altered extrusion velocity, flow rate, and strut diameter. This phenomenon allowed the categorization of pore shape into three zones: irregular, normal, and no-pore zones. It underscored the importance of comprehending the rheological aspects of biomaterials in enhancing the overall quality of bio-scaffolds during the 3D printing process.

1H-NMR-Based Plasma Metabolomic Profiling of Crossbred Beef Cattle with Divergent RFI Phenotype

This study focused on exploring the metabolomic profiles of crossbred beef cattle with varying levels of residual feed intake (RFI), a measure of feed efficiency in beef cattle. Sixty-seven crossbred growing beef steers (BW = 277 ± 29.7 kg) were subjected to a high-forage total mixed ration for 64 days to determine their RFI phenotypes. At the end of the 64d feeding trial, beef steers were divided into two groups based on their RFI values: low (or negative)-RFI beef steers (n = 28; RFI = −1.08 ± 0.88 kg/d) and high (or positive)-RFI beef steers (n = 39; RFI = 1.21 ± 0.92 kg/d). Blood samples were collected, and plasma samples were analyzed using Nuclear Magnetic Resonance spectroscopy, resulting in the identification of 50 metabolites. The study found a distinct metabolomic signature associated with RFI status. Eight metabolites, including amino acids (tyrosine, glycine, valine, leucine, and methionine) and other compounds (dimethyl sulfone, 3-hydroxy isovaleric acid, citric acid, creatine, and L-carnitine), showed differential abundance between low- and high-RFI groups. Specifically, tyrosine, glycine, and dimethyl sulfone exhibited significant specificity and sensitivity, which produced a discriminatory model with an area under the receiver operating characteristic (ROC) curve of 0.7, making them potential markers for RFI. A logistic regression model incorporating these biomarkers effectively distinguished between high- and low-RFI steers, with a threshold cutoff point of 0.48, highlighting a distinctive metabolite profile associated with efficient nutrient utilization in low-RFI cattle. The logistic regression model, incorporating these biomarkers, holds promise for accurately categorizing RFI values, providing insights into the metabolic basis of feed efficiency in beef cattle.

Preliminary Investigation towards the Use of Infrared Technology for Raw Milk Treatment.

Infrared (IR) technology offers a promising solution for reducing microbiological loads in various food types while preserving their quality traits, such as flavour. However, research on IR's application in complex matrices is limited. Therefore, our preliminary study aimed to evaluate its effectiveness in sanitizing bovine raw milk. We assessed the bacterial count before and after IR treatment by comparing volatile organic compound profiles via headspace extraction and GC/MS analysis. Our findings showed that higher energy levels led to a greater bacterial reduction. IR85 was the most effective in reducing Coliforms and Enterobacteriaceae in non-homogenised samples, with a reduction ranging from -1.01 to >-2.99 and from -1.66 to -3.09 Log CFU/mL, respectively. IR60 and 70 showed no efficacy, while IR80 had intermediate but still satisfactory effect. IR85 notably affected volatile compounds, particularly increasing hexanal (from 0.08 to 4.21 ng g-1) and dimethyl sulphone (from 10.76 to 26.40 ng g-1), while IR80 better preserved the aroma profile. As a result, only IR80 was tested with homogenised raw milk, demonstrating significant bacterial reduction (from >2.39 to 3.06 Log CFU/mL for Coliforms and from 1.90 to >2.45 Log CFU/mL for Enterobacteriaceae) and maintaining the aroma profile quality.

E-nose analysis of milk to detect the inclusion of hydroponic barley forage in the buffalo diet

This study explores the use of an electronic nose (E-nose), equipped with ten metal oxide semiconductor thin-film sensors, to detect raw milk samples from buffaloes fed hydroponic barley forage as a substitute for maize silage. 108 samples were collected on three different days, from three groups of twelve Italian Mediterranean buffaloes each. The control group (C) was fed a diet based on maize silage, which in the other groups was replaced by hydroponic forage at 50 % (LH group) and 100 % (HH group). The data pattern from the E-nose sensor responses data was analysed using linear discriminant analysis (LDA) and principal component analysis (PCA) as pattern recognition methods, to investigate the discrimination capability of the sensor array. Confusion matrix, obtained from LDA, correctly classified C, LH and HH milk at 90 %. Solid-phase microextraction with gas chromatography–mass spectrometry revealed that C samples had the highest total level of volatile organic compounds, particularly ketones, volatile fatty acids and esters, while HH had the lowest quantity of volatile fatty acids and higher amounts of p-cresol, 1-octen-3-ol and dimethyl sulfone. This has resulted in a greater response intensity of most E-nose sensors for C, such as W1S, W2S, W3S and W6S, which react to high concentrations of broad-range and aliphatic compounds. E-nose proves effective in rapidly identifying hydroponic forage in buffalo diets.

Relevance of plasma lipoproteins and small metabolites in assessment of nutritional status among patients with severe injuries

BackgroundThis study aimed to identify plasma lipoproteins and small metabolites associated with high risk of malnutrition during intensive care unit (ICU) stay in patients with severe injuries. MethodsThis observational prospective exploratory study was conducted at two level-1 trauma centers in the Netherlands. Adult patients (aged ≥18 years) who were admitted to the ICU for more than 48 h between July 2018 and April 2022 owing to severe injuries (polytrauma, as defined by Injury Severity Scores of ≥16) caused by blunt trauma were eligible for inclusion. Partial least squares discriminant analysis was used to analyze the relationship of 112 lipoprotein-related components and 23 small metabolites with the risk of malnutrition (modified Nutrition Risk in Critically Ill score). Malnutrition was diagnosed based on Subjective Global Assessment scores. The relationship of lipoprotein properties and small metabolite concentrations with malnutrition (during ICU admission) was evaluated using mixed effects logistic regression. ResultsOverall, 51 patients were included. Lower (very) low-density lipoprotein ([V]LDL) (free) cholesterol and phospholipid levels, low particle number, and higher levels of LDL triglycerides were associated with a higher risk of malnutrition (variable importance in projection [VIP] value >1.5). Low levels of most (V)LDL and intermediate-density lipoprotein subfractions and high levels of high-density lipoprotein Apo-A1 were associated with the diagnosis of malnutrition (VIP value >1.5). Increased levels of dimethyl sulfone, trimethylamine N-oxide, creatinine, N, N-dimethylglycine, and pyruvic acid and decreased levels of creatine, methionine, and acetoacetic acid were also indicative of malnutrition (VIP value >1.5). Overall, 14 lipoproteins and 1 small metabolite were significantly associated with a high risk of malnutrition during ICU admission (P <0.05); however, the association did not persist after correcting the false discovery rate (P=0.35 for all). ConclusionIncreased triglyceride in several lipoprotein subfractions and decreased levels of other lipoprotein subfraction lipids and several small metabolites (involved in the homocysteine cycle, ketone body formation, and muscle metabolism) may be indicative of malnutrition risk. Following validation in larger cohorts, these indicators may guide institution of preventive nutritional measures in patients admitted to the ICU with severe injuries.

Study of Dynamic Viscosity and Density of Aprotic Solvents for Lithium – ion Batteries

The article deals with description of rheological properties of solvents for electrolytes of lithium-ion accumulators. Solvents mixture of dimethyl sulfone and sulfolane at different volume ratios and with a lithium salt (LiClO4) appear as potentially suitable electrolyte. The aim of this experiment is to investigate the rheological properties, particularly density and dynamic viscosity, of solvents with lithium salt in temperature dependence and to find the optimal composition of the electrolyte from the perspective of achieving the lowest dynamic viscosity and better electrical conductivity because both quantities are closely related in accordance with Walden’s rule. The vibration method is used to determine the values of dynamic viscosity.

Molecular docking of antioxidant activity of bougainvillea spectabilis wild bractea ethanol fraction with aryl hydro carbon inhibitors and vitamin C comparator

Antioxidant compounds are increasingly being used in the health sector. In the health sector, antioxidant compounds also have a very important role. Antioxidant compounds have been scientifically proven to reduce the risk of chronic diseases, such as cancer, coronary heart disease, disorders such as redness, hyperpigmentation, wrinkles and premature aging. Antioxidant compound found in many plants, both bracteas, leaves and fruit, one of which is bracteas Bougainvillea spectabilis Willd. The ethanol fraction of bracteas Bougainvillea spectabillis Willd include: butil hydroxytoluene;ρ-Trimethylsilyloxyphenyl (tri.methylsilyloxy) trimethylsilylacrylate; 2,5 pyrrolidinedione, 1-methyl; Dimethylsulfoxonium formylmethylide; Formamide, N,N-dimethyl; Dimethyl sulfone and Cyclotetrasiloxane, octamethyl. Identified by the Liquid Chromatography - Mass Spectrometry method, then docked with Molegro Virtual Docker. Butyl hydroxytoluene has the same Root Mean Square Deviation value as vitamin C and smaller than the standard ligand BHF_401 (A), which can be seen from Rerank scores are - 76,0629, -76,1096, -105,0070. Hydrogen and electrostratic bonds in the ethanol fraction: Butyl hydroxytoluene with 3 amino acid residues including Tyr 334, Leu 292 and Leu 281, in the control Vitamin C with 9 amino acid residues Tyr 336, Leu 307, Val 308, As 306, Tyr 305, Gly 304, Gly 303, Phe 279 and His 275 with standard ligand BHF_401 (A) with 4 amino acid residues Val 316, Tyr 305, His 275 and Tyr 334. Butyl hydroxytoluenemore harmonious and stable and as a candidate for antioxidant drugs that have the same activity as vitamin C as a positive control

Discovery of Biomarkers for Myogenous Temporomandibular Disorders Through Salivary Metabolomic Profiling: A Pilot Study.

To develop a new approach to provide insights into contributing factors to the etiology and pathogenesis of temporomandibular disorders (TMDs) through discrimination of the salivary metabolomic profiling of patients with TMDs of muscular origin (ie, local myalgia) and healthy individuals. Saliva samples from 19 patients with TMDs of muscular origin (ie, local myalgia) and 39 healthy controls were collected and identified by nuclear magnetic resonance (NMR) spectroscopy. 1H NMR spectra for all samples were acquired using a Bruker Avance-III NMR spectrometer operating at 500 MHz, and data processing was performed in TopSpin, MestreNova, SIMCA, and AMIX softwares for metabolite identification. Eight key metabolites were identified between the healthy controls and patients: L-isoleucine, methylmalonic acid, isopropanolamine, dimethyl sulfone, lactic acid, 4-ethoxyphenylacetic acid, N-acetyl alanine, and D-galactose. The results of this study demonstrate that NMR-based metabolomics coupled with multivariate data analysis is a powerful method for the metabolomic profiling of patients with TMDs of muscular origin (ie, local myalgia).

Functional properties and flavor characteristics of milk from cows supplemented with jujube powder

Jujube has various functional properties and is a promising source of bioactive compounds and flavors. This study investigated the functional properties and flavor characteristics of milk from cows supplemented with jujube powder (JP). Here, milk volatile profiles and taste properties were analyzed by using an electronic nose and headspace solid-phase microextraction GC-MS. Compared with the control group, the total antioxidant capacity, 2,2'-azino-bis-3-ethylbenzothiazoline-6-sulphonic free-radical-scavenging activity, lactoferrin, and IgG levels increased significantly in the JP group. Volatile flavor analysis indicated that ketone levels increased, acid abundance decreased, and toluene and dimethyl sulfone significantly increased in the JP group. Taste-profile analyses demonstrated that jujube supplementation altered the taste of the milk. In summary, dietary JP supplementation affects the volatile flavor composition and aroma of milk, as well as the bioactive components and antioxidant properties. These findings enhance our understanding of milk production using direct dietary supplementation to produce sustainable dairy products.

ELECTROCHEMICAL BEHAVIOR OF DIMETHYLSULPHONE ON A PLATINUM ELECTRODE

In this work, we studied the effect of dimethylsulfone concentrations on the rate of anodic oxygen evolution and cathodic hydrogen evolution on a platinum electrode in acidic and alkaline media. By the method of calculating the DFT electron density functional at the level of the B97-3c theory using the Orca 4.2.0 program, the dimethyl sulfone bond breaking energy on the surface of platinum will be preferable through C-S bonds, according to the ion-radical mechanism. It has been confirmed by NMR and Raman spectroscopy that the end products of the anodic oxidation of dimethylsulfone in an acidic medium are methanesulfonic acid and dimethyldisulfone, in an alkaline medium - only dimethyldisulfone; the end products of cathodic reduction of DMSO2 are dimethylpolysulfides. Based on the obtained experimental results, a scheme of the electrocatalytic behavior of dimethylsulfone on a platinum electrode is proposed.