Methylation Content Research Articles

DNA methylation dysregulation patterns in the 1p36 region instability.

In the monosomy 1p36 deletion syndrome, the role of DNA methylation in the genomic stability of the 1p36 region remains elusive. We hypothesize that changes in the methylation pattern at the 1p36 breakpoint hotspot region influenced the chromosomal breakage leading to terminal deletions. From the monosomy 1p36 material collection, four cases with 4.0 to 5.5Mb terminal deletions and their parents were investigated. DNA samples were assessed by targeted bisulfite sequencing (NimbleGen SeqCap Epi) to examine DNA methylation status in the 1p36 hotspot region at single-base resolution as compared to the chromosomal hotspot regions, 9p22, 18q21.1, and 22q11.2. Additionally, in in silico assessment, the mean GC content of various classes of repeats in the genome and especially in the breakpoint regions was evaluated. A complex landscape of DNA methylation in the 1p36 breakpoint hotspot region was found. Changes in DNA methylation level in the vicinity of the breakpoint in the child's DNA when compared to parents' and control DNA were observed, with a shift from 15.1 to 70.8% spanning the breakpoint region. In the main classes of evaluated repeats, higher mean GC contents in the 1p36 breakpoint region (47.06%), 22q11.2 (48.47%), and 18q21.1 (44.21%) were found, compared to the rest of the genome (40.78%). The 9p22 region showed a lower GC content (39.42%) compared to the rest of the genome. Both dysregulation of DNA methylation and high GC content were found to be specific for the 1p36 breakpoint hotspot region suggesting that methylation abnormalities could contribute to aberrations at 1p36.

N-acetyl-L-cysteine reduces testis ROS in obese fathers but fails in protecting offspring from acquisition of epigenetic traits at cyp19a1 and IGF11/H19 ICR loci.

Paternal nutrition before conception has a marked impact on offspring's risk of developing metabolic disorders during adulthood. Research on human cohorts and animal models has shown that paternal obesity alters sperm epigenetics (DNA methylation, protamine-to-histone replacement, and non-coding RNA content), leading to adverse health outcomes in the offspring. So far, the mechanistic events that translate paternal nutrition into sperm epigenetic changes remain unclear. High-fat diet (HFD)-driven paternal obesity increases gonadic Reactive Oxygen Species (ROS), which modulate enzymes involved in epigenetic modifications of DNA during spermatogenesis. Thus, the gonadic pool of ROS might be responsible for transducing paternal health status to the zygote through germ cells. The involvement of ROS in paternal intergenerational transmission was assessed by modulating the gonadic ROS content in male mice. Testicular oxidative stress induced by HFD was counterbalanced by N-acetylcysteine (NAC), an antioxidant precursor of GSH. The sires were divided into four feeding groups: i) control diet; ii) HFD; iii) control diet in the presence of NAC; and iv) HFD in the presence of NAC. After 8weeks, males were mated with females that were fed a control diet. Antioxidant treatment was then evaluated in terms of preventing the HFD-induced transmission of dysmetabolic traits from obese fathers to their offspring. The offspring were weaned onto a regular control diet until week 16 and then underwent metabolic evaluation. The methylation status of the genomic region IGFII/H19 and cyp19a1 in the offspring gDNA was also assessed using Sanger sequencing and methylation-dependent qPCR. Supplementation with NAC protected sires from HFD-induced weight gain, hyperinsulinemia, and glucose intolerance. NAC reduced oxidative stress in the gonads of obese fathers and improved sperm viability. However, NAC did not prevent the transmission of epigenetic modifications from father to offspring. Male offspring of HFD-fed fathers, regardless of NAC treatment, exhibited hyperinsulinemia, glucose intolerance, and hypoandrogenism. Additionally, they showed altered methylation at the epigenetically controlled loci IGFII/H19 and cy19a1. Although NAC supplementation improved the health status and sperm quality of HFD-fed male mice, it did not prevent the epigenetic transmission of metabolic disorders to their offspring. Different NAC dosages and antioxidants other than NAC might represent alternatives to stop the intergenerational transmission of paternal dysmetabolic traits.

Sodium arsenite-induced DNA methylation alterations exacerbated by p53 knockout in MCF7 cells

Epigenetic alterations are ubiquitous across human malignancies. Thus, functional characterization of epigenetic events deregulated by environmental pollutants should enhance our understanding of the mechanisms of carcinogenesis and inform preventive strategies. Recent reports showing the presence of known cancer-driving mutations in normal tissues have sparked debate on the importance of non-mutational stressors potentially acting as cancer promoters. Here, we aimed to test the hypothesis that the presence of mutations in p53, a commonly mutated gene in human malignancies, may influence cellular response to an environmental non-mutagenic agent, potentially involving epigenetic mechanism. We used the CRISPR-Cas9 system to generate knockouts of p53 in MCF7 and T47D breast cancer cell lines and characterized DNA methylome changes by targeted pyrosequencing and methylome-wide Infinium MethylationEPIC BeadChip arrays after exposure to sodium arsenite, a well-established human carcinogen with documented effects on the epigenome. We found that the knockout of p53 alone was associated with extensive alterations in DNA methylation content, with predominant CpG hypermethylation concurrent with global demethylation, as determined by LINE-1 repetitive element pyrosequencing. While exposure to sodium arsenite induced little to no effects in parental cell lines, mutant cells, upon treatment with sodium arsenite, exhibited a markedly altered response in comparison to their wild-type counterparts. We further performed genome regional analyses and found that differentially methylated regions (DMRs) associated with exposure to sodium arsenite map to genes involved in chromatin remodeling and cancer development. Reconstitution of wild-type p53 only partially restored p53-mutant-specific differential methylation states in response to sodium arsenite exposure, which may be due to the insufficient reconstitution of p53 function, or suggestive of a potential exposure-specific epigenetic memory. Together, our results revealed wide-spread epigenetic alterations associated with p53 mutation that influence cellular response to sodium arsenite exposure, which may constate an important epigenetic mechanism by which tumour promoting agents synergize with driver mutations in cancer promotion.

A new insight of blood vs. buccal DNA methylation in the forensic identification of monozygotic triplets

The case of the monozygotic (MZ) twin as a suspect demonstrates a practical problem in forensic casework. As the MZ twins are genetically identical, they share the same short tandem repeat (STR) profile. Many studies showed that older MZ twins have significant differences in overall content and genomic distribution of methylation between them. However, studies addressing the investigation of epigenetic MZ triplet differentiation in various forensic reference materials are lacking. Here, one triplet set of Egyptian MZ twins was used as an analog to a forensic case. The genome-wide methylation analysis was performed via the new Human Methylation EPIC BeadChip array. Following normalization methods, potential differentially methylated positions (DMPs) were discovered. This resulted in the detection of 24 potential DMPs in reference-type blood DNA and 11 potential DMPs in reference-type buccal DNA. Then, the Kyoto Encyclopedia of Genes and Genomes (KEGG) and Gene Ontology (GO) analyses were performed to show the associated biological functions. Our findings revealed that the 35 potential DMPs were enriched in 283 significant GO terms. These terms are mainly enriched in the immune system. Overall, this study demonstrates the general feasibility of epigenetic MZ triplet differentiation in the forensic context and highlights that some potential DMPs identified in blood DNA were not informative in buccal DNA. This is due to various reasons, including the tissue specificity of DNA methylation.

Enhancing Methylated Amorphous Silicon Anode Performances in Li-Ion Batteries By Boron Doping

Methylated amorphous silicon has already demonstrated some advantages as compared to silicon in terms of mechanical properties and cyclability for Li-ion batteries (LIB) [1]. However, the conductivity of methylated amorphous silicon drops by several orders of magnitude when increasing the methyl content in the material, which prevents investigating methyl contents higher than 10%. It is well known that doping significantly improves the conductivity of crystalline or amorphous silicon, and has sometimes been reported to improve the material cyclability when used as a LiB anode [2].Here, boron-doped methylated amorphous silicon electrodes with different methyl contents were investigated as anodes for LiB in half-cell configuration. Boron doped methylated silicon thin films (100nm thick) with various methyl content were cycled in the range 0.025V – 1V at C/2 rate (electrolyte: LP30 with 5%FEC). 10% methylated amorphous silicon with 2% boron doping performs a capacity retention of 77% after 1000 cycles (exhibiting a capacity around 1800 mAh.g-1) of full lithiation/delithiation. Figure 1a shows a clearly improved performance as compared to the undoped material. The stability upon cycling of higher methyl contents (15% and 20%) electrodes is further increased, with a capacity retention exceeding 80% over 1000 cycles of full lithiation/delithiation.The evolution of the SEI thickness can be quantitatively determined from IR spectra during cycling. The thickness in the delithiated state is found to increase from cycle to cycle, but with a lower rate for the doped 10% methylated electrodes (thickness lower than 25 nm after 40 cycles and 30 nm after 80 cycles) than for the undoped ones (thickness larger than 35 nm after 40 cycles), see Figure 1b. The SEI evolution upon cycling for higher methyl content is currently under investigation. Reference [1] L. Touahir, A. Cheriet, D. A. D. Corte, J.-N. Chazalviel, C. H. Villeneuve, F. Ozanam, I. Solomon, A. Keffous, N. Gabouze et M. Rosso, «Methylated silicon: A longer cycle-life material for Li-ion batteries,» Journal of Power Sources, vol. 240, pp. 551-557, 10 2013. [2] M. Salah, C. Hall, P. Murphy, C. Francis, R. Kerr, B. Stoehr, S. Rudd et M. Fabretto, «Doped and reactive silicon thin film anodes for lithium ion batteries: A review,» Journal of Power Sources, vol. 506, p. 230194, 9 2021. Figure 1

Effect of solvent type on chemical composition distribution analysis of polyolefins using crystallization elution fractionation (CEF)

For microstructure characterization of polyolefin by separation-based techniques with infrared detector, either 1,2-dichlorobenzene (o-DCB) or 1,2,4-trichlorobenzene (TCB) is commonly selected as a dissolution solvent and mobile phase. Herein, we studied the effects of o-DCB and TCB on the comonomer detection and chemical composition distribution (CCD) by crystallization elution fractionation (CEF) with a filter-based IR detector. We first compared the detector sensitivity on methyl group content or short chain branching (SCB) in polyethylene-co-butene with varied sample concentrations in o-DCB and TCB. TCB demonstrated superior comonomer detection in the IR detector with a single linear calibration across a wide range of sample concentrations. In contrast, o-DCB displayed stronger concentration dependent methyl group response, requiring a more complex equation in the calibration. Furthermore, o-DCB provided better separation of comonomer distribution with less peak broadening and co-crystallization effects, as observed with various polyolefins, including high density polyethylene (HDPE), linear low-density polyethylene (LLDPE), polypropylene (PP), and ethylene-propylene copolymer (EP).

Effectiveness of empty fruit bunch ash as the catalyst for palm oil transesterification

Empty Fruit Bunch (EFB) resulted from oil palm plantations and mills can be converted into ash through open combustion. The EFB ash then treated by simple calcination and used as a heterogeneous catalyst for biodiesel production. The characteristics of EFB ash were identified based on its elemental composition, porous structure, and active site size. The effectivity of the EFB ash as a catalyst was tested in a transesterification reaction of Refined Bleached Deodorized Palm Oil (RBDPO) with excess methanol (30 %-w) in various catalyst loads (in%-wt). The lab-scale experiments were conducted in a three-neck glass reactor, which was put on the hot plate stirrer at 450 rpm. The EFB ash performed the best as a catalyst by attaining optimal conversion at 65 °C for 1 h with a 16 %-wt of catalyst load. In this condition, most of the standard quality of biodiesel were complied with total glycerol under 0.24% and ester methyl contents up to 98.9 %. The characteristics tests showed that the properties and active side of the EFB ash are excellent after calcination at 600 for 5 h. The recyclability test of EFB ash as a catalyst showed high performance in two repetition cycles, each showing an increase in the yield of biodiesel, which was 92.21 % in cycle 2 and 91.23 % in cycle 3.

Effects of different ammonia energy ratio on soot formation and oxidation in an ammonia diesel dual-fuel engine

Due to environmental pollution and energy crises, zero‑carbon fuel ammonia (NH3) has attracted extensive attention as an alternative fuel for engines. In this paper, the effects of ammonia energy ratio (AER) and injection strategy on particulate emission characteristics of an ammonia diesel dual-fuel engine were examined by merging experimental and simulation results; additionally, soot formation and oxidation mechanism were investigated. Results showed that the reduction in particulate emission was substantially higher than the increase in AER. When AER increased to 60 %, the reduction in particulate mass concentration reached 97.5 %. The initial soot formation area gradually moved to the bottom of the piston bowl with increasing AER. When the piston reached the top dead center, the high-soot-concentration area was shifted to the center of the piston bowl as AER increased. The contents of acetylene (C2H2) and methyl (CH3) reduced considerably, which restricted the formation of soot precursors. With AER increasing, the contents of nitric oxides (NOx) and other nitrogen-containing species increased and reacted with CH3 and other carbon-containing species, which effectively reduced the number of C in soot formation pathway, thereby lowering particulate emissions. As AER increased, hydroxyl (OH) involved in soot formation gradually decreased, and only 14 % of OH was involved in the oxidation of n-heptane at 60 % AER, which was favorable for reducing the soot formation rate. Furthermore, OH is a substantial species in soot oxidation. The introduction of ammonia caused an increase in OH, which facilitated the removal of soot. The decrease in hydrogenium (H) hindered the hydrogen–abstraction–acetylene–addition (HACA) reaction, further limiting the soot surface growth. By optimizing the injection timing and AER, particulate emission was lowered to 4.31 × 10−5 μg/cm3, and particle size was reduced by 64.2 % when AER was 60 %, injection timing was −20° CA ATDC, and injection pressure was 60 MPa.

Improving the light transmission of silica glass using silicone as an anti-reflection layer for solar panel applications

The anti-reflection (AR) technology currently used in photovoltaic (PV) glass has reached its operational limit as the refractive index of existing materials cannot be lowered further. To overcome this, in this study, we selected formed methylsiloxane as an AR layer for PV glass. Its low refractive index (∼1.37) originates from the high content of methyl groups and the formation of voids during crosslinking. We acquired and compared the refractive index curves, conducted structural analyses, characterizations (optical, thermal, and surface), and performance evaluations to confirm the advantages of silicone as an AR layer for PV panels. The spreading and subsequent room-temperature self-curing characteristics of silicone considerably enhanced its applicability for upscaling and repair. The hydrophobic nature of the silicone AR layer imparted a new self-cleaning function to the solar panels; further, the methyl-silicone coating enhanced light transmission, resulting in electrical gain. Furthermore, the addition of the methyl-silicone layer created a refractive index gradient on the glass surface, making it fully compatible for use with the mainstream AR process, namely, the sol-gel method employed for PV glass.

Development and study of lightweight recycled composite materials based on linear low-density polyethylene and W for radiation application

Composite materials based on a polymer matrix of linear low-density polyethylene (LLDPE) and W were produced by thermal pressing. The content of W in the samples varied from 0 to 70 %. The recycling properties of LLDPE are demonstrated in this study, which significantly helped to reduce the defects. The microstructure of the composites consists of well-defined W grains covered by elastic LLDPE fibers. A homogeneous distribution of tungsten in the polymer matrix was observed for sample W70. The EDX analysis showed the presence of tungsten and carbon (from the polymer component). The XRD analysis confirms the increase in W content in the samples. The FTIR spectra of the composites showed an increase in the content of terminal methyl groups, a decrease in the molecular weight, and a decrease in the degree of crystallinity of the polyethylene matrix with an increase in the W content in the composite. The sample with 70 % W content has the highest effective density (2.61 g/cm3). The sample relative density ranges from 93.3 to 97.7 %. The porosity of LLDPE-W composites does not exceed 7 %. Gamma radiation shielding efficiency parameters such as LAC, HVL, and MFP were calculated using Phy-X/PSD. The radiation source was Co60, with an emission range of 0.8–2.5 MeV. As the gamma energy increases, it is observed that the values of all the parameters deteriorate. However, the sample with a maximum W content of 70 % has the best values of LAC, HVL, and MFP among the other samples.

Method of hydrothermal treatment for coal spontaneous combustion inhibition and its application

The use of coal combustion inhibitors, which are mostly sprayed on the surface of the coal that remains in the mining region (post-mining inhibition), has a significant effect on preventing spontaneous burning of coal, although their duration of action is limited. Pre-inhibition (pre-mining inhibition) prolong the inhibition duration and offers the chance to change the temperature of the inhibition fluid. This results in the suggestion of a hydrothermal inhibition strategy that emphasises the influence of inhibition fluid temperature on the inhibitory effect in order to achieve accelerated inhibition. Infrared tests and temperature-programmed oxidation are used to explore the inhibition law and mechanism of inhibition temperature on the spontaneous combustion of different coal orders. The findings demonstrated that when the inhibition temperature increased to 30 °C, 40 °C, 50 °C, 60 °C and 70 °C, the average inhibition rate and cross point temperature increased dramatically while the rates of oxygen consumption, exothermic rate, and CO production continuously dropped. Simultaneously, the coal's content of more reactive groups, such methyl and methylene, dropped, and the coal's risk to self-heat reduced. At the 70 °C inhibition temperature, the lignite coal showed the maximum inhibition rate (65.28%). This research is crucial to advancing the inhibitor's application technology and efficiency of inhibition.

Study on the Properties of Proanthocyanidins Modified Temperature Sensitive Gel Composite Inhibitor for Inhibiting Coal Spontaneous Combustion

ABSTRACT To address the disadvantages of the single inhibition effect, poor inhibition effect and short inhibition life of the inhibitors used in coal mining, a temperature-sensitive gel composite inhibitor was developed in this study. Polyacrylic acid (PAA), n-isopropylacrylamide (NIPA) and proanthocyanidin (OPC) were used as raw materials. The inhibition property and mechanism of the temperature-sensitive gel composite inhibitor were studied using scanning electron microscopy (SEM), infrared spectroscopy (IR), temperature sensitivity tests and thermogravimetric analysis (TGA). The results indicate that OPC/P(NIPA-co-AA) is able to fill the coal interstitial space and isolates oxygen to weaken the oxygen-coal reaction. The absorption peak of the chemically stable ether bond increases, and the content of methyl and methylene groups that can easily react with oxygen decreases in the OPC/P(NIPA-co-AA)-inhibited coal sample, indicating that the stability of the inhibited coal sample is improved. The sensitive temperature of OPC/P(NIPA-co-AA) is around 55°C, and the composite inhibitor reduces the temperature of water loss when the coal heat storage reaches the sensitive temperature, which improves the physical inhibitory effect. The ignition temperature of the OPC/P(NIPA-co-AA)-inhibited coal sample is 6.94°C higher than that of the raw coal, whereas the oxidation reaction of the OPC/P(NIPA-co-AA)-inhibited coal sample is more difficult. The temperature-sensitive gel composite inhibitor exhibits good inhibitory performance in both physical and chemical aspects, and it can significantly inhibit the spontaneous combustion of coal.

Integrated serum pharmacochemistry and serum pharmacology to investigate the active components and mechanism of Bushen Huoxue Prescription in the treatment of diabetic retinopathy

This study aimed to investigate the active components of Bushen Huoxue Prescriptions (BHP), and further clarify the mechanism by the integration of serum pharmacochemistry and serum pharmacology based on spectrum-effect relationship in vivo. In this paper, the components absorbed into serum were analyzed by ultra-high performance liquid chromatography-quadrupole-Exactive Orbitrap-high resolution mass spectrometry (UPLC-Q-Exactive Orbitrap-HRMS). And Müller cells were chosen as target cells to further investigate the mechanism. After cell purification, the well-grown cells were identified by Hematoxylin-eosin staining (HE) staining and immunofluorescence assay, such as glial fibrillary acidic protein (GFAP) and glutamine synthetase (GS). The logarithmic phase cells were divided into normal group, model group and 12 BHP groups. The hyperglycemic and hypoxic model was induced by 50 mmol/L glucose and 1 mmol/L sodium disulfite. Enzyme-linked immunesorbnent assay (ELISA) was used to detect the expressions of five factors closely related to DR, named vascular endothelial growth factor (VEGF), hypoxia-inducible factor1-alpha (HIF-1α), protein kinase C-β (PKC-β), angiopoietin-2 (ANG-2) and transforming growth factor-β (TGF-β). Finally, the spectrum-effect relationship was investigated to screen the active components of BHP by partial least squares regression (PLSR). The results showed that 83 metabolic components, containing 30 prototypes and 53 metabolites were found in BHP serum. 12 characteristic common peaks were chosen to establish spectrum-effect relationship. Significantly, all the 12 BHP serum exhibited stronger inhibition on the expression of VEGF, PKC-β, and ANG-2, and the expression of VEGF, PKC-β, ANG-2 was chosen to establish the spectrum-effect relationship in vivo. The results of PLSR revealed that the content of methylation and sulfuration of caffeic acid, dehydroxylation and sulfation of Danshensu, daidzein, O-demethylangolanolin, cryptotanshinone, tanshinone IIA and protopanaxatriol were inversely correlated with VEGF expression of Müller cells; the areas of dihydrocaffeic acid, methylation and sulfuration of caffeic acid, dehydroxylation and sulfation of Danshensu, daidzein, cryptotanshinone, tanshinone IIA were negative correlation with the expression of PKC-β; while the coefficient of hydroxytyrosol sulfation, R-equol, O-demethylangolanolin, dihydrotanshinone IIA, hydrated cryptotanshinone, protopanaxatriol showed negative correlation with the expression of ANG-2. The above results indicated that cryptotanshinone, tanshinone IIA, daidzein and protopanaxatriol need be focused in our future research. In addition, this research idea provides feasible ways to investigate and determine pharmacodyamic material basis and screen the Q-markers of TCM and its formulas.

Metal-Phenolic Film Coated Quartz Crystal Microbalance as a Selective Sensor for Methanol Detection in Alcoholic Beverages.

The facile real-time monitoring of methyl content in fermented beverages is of fundamental significance in the alcohol and restaurant industry, since as little as 4 mL of methanol entering the blood may cause intoxication or blindness. So far, the practical applicability of available methanol sensors, including the piezoresonance analogs, is somewhat limited to laboratory use due to the complexity and bulkiness of the measuring equipment involving multistep procedures. This article introduces a hydrophobic metal-phenolic film-coated quartz crystal microbalance (MPF-QCM) as a novel streamlined detector of methanol in alcoholic drinks. Unlike other QCM-based alcohol sensors, our device operates under saturated vapor pressure conditions, permitting rapid detection of methyl fractions up to seven times below the tolerable levels in spirits (e.g., whisky) while effectively suppressing the cross-sensitivity to interfering chemical compounds such as water, petroleum ether or ammonium hydroxide. Furthermore, the good surface adhesion of metal-phenolic complexes endows the MPF-QCM with superior long-term stability, contributing to the repeatable and reversible physical sorption of the target analytes. These features, combined with the lack of mass flow controllers, valves and connecting pipes delivering the gas mixture, outline the likelihood for future design of a portable MPF-QCM prototype suitable to point-of-use analysis in drinking establishments.

Effect of Soaking Time on the Spontaneous Combustion Characteristics of Lignite

ABSTRACT When mining deep coal seams, the overlying mined-out area must be pumped and drained, and the remnant coal in the mining void area is vulnerable to spontaneous combustion via water immersion and air drying. To investigate the effect of soaking time on the spontaneous combustion characteristics of lignite, low-temperature N2 adsorption experiments and Fourier transform infrared spectroscopy (FTIR) experiments were used in this study to investigate the changes in pore structure and functional group content of coal samples by increasing the soaking time. Based on programmed warming experiments, macroscopic characteristic indicators of coal spontaneous combustion (CSC) oxidizability, such as the oxygen consumption rate and index gas, were derived. Results showed that the effect of soaking caused the total pore volume and specific surface area of lignite to increase to different degrees, which enhanced the adsorption capacity of coal to oxygen and improved the effective contact of oxygen with the active sites on the coal surface. However, there was no consistency in the effect of different soaking times on the content of reactive functional groups of the coal, with higher methyl and methine contents after 60 days of soaking (S60) and 120 days of soaking (S120) than in the raw coal (RC), and less in 90 days of soaking (S90). The propensity of coal to spontaneously combust is determined by both the pore structure and reactive functional groups, which shows the propensity of spontaneous combustion S60>S120>RC>S90. Results from this study are important in understanding the mechanism of CSC of water-soaked lignite in mined-out areas and can provide theoretical guidance to prevent CSC in mining areas.

ANALYSIS OF THE COMPOSITION AND STRUCTURE OF HEAVY OILS ACCORDING TO NMR SPECTROSCOPY

The results of studies of 1H and 13C NMR spectroscopy of heavy oil samples from the Timan Pechersk, Volga Ural oil and gas basins are presented. Knowledge of the chemical composition and physicochemical properties of crude oil, along with the particularities of geological and geochemical conditions is of paramount importance for solving the problems of the origin of crude oil and its subsequent processing. Information on the chemical composition of oil allows you to combine samples of crude oil from various fields before refining to achieve the necessary commercial and technical characteristics. 59.7-60.5% of β-CH3 groups were found in the samples, in β-CH2 and CH-groups to the aromatic ring, as well as the content of CH2- and CH-groups of saturated compounds. Dividing 13C NMR spectra into ranges shows a high content of methyl groups with the number of CH-groups in the alkyl fragments and CH and CH2-alkyl groups of naphthenic moieties attached to CH-group being 14.37-24.17%. A specific range of values is from 9.4 to 11.4 ppm. indicates methyl substituted octane, nonane or decane. It was found that the content of primary and secondary carbon atoms was in the range from 59.4-60.7%. The studied samples possess branched alkane chains. Comparison of the content of aromatic / aliphatic components allows us to determine the sample of the Volga Ural basin as a sample with a high content of aromatic component. The content of aromatic fragments varies in a wider range of 17-25.9%. From the data of 1H NMR-spectra of samples of heavy oils with different origin, viscosity and treatment it was found that crude and refined oils can differ in the content of olefin signals. For citation: Kolchina G.Yu., Poletaeva O.Yu., Leontev A.Yu., Movsumzade E.M., Loginova M.E., Kolchin A.V. Analysis of the composition and structure of heavy oils according to NMR spectroscopy. ChemChemTech [Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.]. 2023. V. 66. N 6. P. 94-101. DOI: 10.6060/ivkkt.20236606.6783.

Study on the Occurrence Difference of Functional Groups in Coals with Different Metamorphic Degrees.

In order to quantitatively study the difference in occurrence content of functional groups in coals with different metamorphic degrees, the samples of long flame coal, coking coal, and anthracite of three different coal ranks were characterized by FTIR and the relative content of various functional groups in different coal ranks was obtained. The semi-quantitative structural parameters were calculated, and the evolution law of the chemical structure of the coal body was given. The results show that with the increase in the metamorphic degree, the substitution degree of hydrogen atoms on the benzene ring in the aromatic group increases with the increase in the vitrinite reflectance. With the increase in coal rank, the content of phenolic hydroxyl, carboxyl, carbonyl, and other active oxygen-containing groups gradually decreased, and the content of ether bonds gradually increased. Methyl content increased rapidly first and then increased slowly, methylene content increased slowly first and then decreased rapidly, and methylene content decreased first and then increased. With the increase in vitrinite reflectance, the OH-π hydrogen bond gradually increases, the content of hydroxyl self-association hydrogen bond first increases and then decreases, the oxygen-hydrogen bond of hydroxyl ether gradually increases, and the ring hydrogen bond first significantly decreases and then slowly increases. The content of the OH-N hydrogen bond is in direct proportion to the content of nitrogen in coal molecules. It can be seen from the semi-quantitative structural parameters that with the increase in coal rank, the aromatic carbon ratio fa, aromatic degree AR and condensation degree DOC increase gradually. With the increase in coal rank, A(CH2)/A(CH3) first decreases and then increases, hydrocarbon generation potential 'A' first increases and then decreases, maturity 'C' first decreases rapidly and then decreases slowly, and factor D gradually decreases. This paper is valuable for analyzing the occurrence form of functional groups in different coal ranks and clarifying the evolution process of structure in China.

Analysis of the Effect of Mixed Fermentation on the Quality of Distilled Jujube Liquor by Gas Chromatography-Ion Mobility Spectrometry and Flavor Sensory Description

Distilled jujube liquor is an alcoholic beverage made from jujube, which has a unique flavor and a sweet taste. The purpose of this study was to explore the effect of mixed fermentation on the quality of distilled jujube liquor by comparing the performance of mixed fermentation between S. cerevisiae, Pichia pastoris and Lactobacillus. The results showed that there were significant differences in the quality of the jujube liquor between the combined strains. Moreover, Lactobacillus increased and P. pastoris reduced the total acid content. The results from an E-nose showed that the contents of methyl, alcohol, aldehyde, and ketone substances in the test bottle decreased significantly after decanting, while the contents of inorganic sulfide and organic sulfide increased. Fifty flavor compounds were detected, including nineteen esters, twelve alcohols, seven ketones, six aldehydes, three alkenes, one furan, one pyridine, and one acid. There were no significant differences in the type or content of flavor compounds. However, PLS-DA showed differences among the samples. Eighteen volatile organic compounds with variable importance in projection values > 1 were obtained. There were sensory differences among the four samples. Compared with the sample fermented with only S. cerevisiae, the samples co-fermented with Lactobacillus or with P. pastoris had an obvious bitter taste and mellow taste, respectively. The sample fermented by all three strains had a prominent fruity flavor. Except for the sample fermented with only S. cerevisiae, the jujube flavor was weakened to varying degrees in all samples. Co-fermentation could be a valuable method to improve the flavor quality of distilled jujube liquor. This study revealed the effects of different mixed fermentation modes on the sensory flavor of distilled jujube liquor and provided a theoretical basis for the establishment of special mixed fermentation agents for distilled jujube liquor in the future.

Carboxyl-functionalized polyimides for efficient bisphenol A removal: Influence of wettability and porosity on adsorption capacity

Bisphenol A (BPA) removal from drinking water is greatly concerned for human and living things' safety. In this study, we synthesized three carboxyl-functionalized copolyimides and their homopolymer counterparts and evaluated their potential for removing BPA from an aqueous solution. The polymers were prepared via polycondensation reaction by reacting 4,4′-(hexafluoroisopropylidene)diphthalic anhydride (6FDA) with various ratios of 3,5-diaminobenzoic acid (DABA) and 3,5-diamino-2,4,6-trimethylbenzoic acid (TrMCA). The effect of porosity, hydrophilicity, and methyl group content on BPA adsorption capacity has been investigated systemically. 6FDA-DABA demonstrated the highest BPA adsorption capacity with maximum adsorption of 67 mg g−1 and removal efficiency of approximately 90%. The anti-synergistic regime was observed between polymer porosity and hydrophilicity. As the content of the methyl group increases, the Brunauer–Emmett–Teller (BET) surface area increases, and the polymer hydrophilicity decreases, leading to a notable reduction in BPA adsorption capacity. The adsorption kinetics isotherms of BPA on 6FDA-based polyimides followed the pseudo-first-order kinetics, except for 6FDA-DABA, which was found to follow the pseudo-second-order. The BPA removal capacity was determined using both Langmuir and Freundlich isotherm models. The Langmuir model was more suitable than the Freundlich for the adsorption of BPA on the carboxyl-functionalized polyimides. To our knowledge, the prepared polyimides represent the first examples of utilizing polyimides for BPA removal. Investigating the structure/property relationship between polymers and their performance will pave the way to molecular engineering state-of-the-art polymer materials for efficient environmental remediation applications.

Influence of stir-frying on the lipid stability and flavor substances in oat flour during storage using HS-SPME-GC-MS and electronic nose

AbstractObjectivesWe used stir-fried oat flour as experimental material and raw oat flour as a control to explore the influence of stir-frying on the storage quality of oat flour.Materials and MethodsThe HS-SPME-GC-MS method combined with electronic nose technology was used to understand the lipid stability and analyze the changes in the flavor of the substances during the entire storage period.ResultsIt was observed that during the storage period, stir-fried oat flour contained less water than raw oat flavor. The former was characterized by a lower fatty acid value, lower acid value, and lower linoleic acid content, but higher oleic acid content and palmitic acid content compared to the latter. With the passage of storage time, the palmitic acid content significantly increased, and the linoleic acid content significantly decreased in raw and stir-fried oats flour (P<0.05). The sulfur and methyl contents in the stir-fried oat flour were higher than those in the raw flour, while nitrogen oxide content in the former was lower than that in the latter. Stir-fried oat flour possessed a total of 78 identified flavor substances. The process of stir-frying boosts the oxidation decomposition of unsaturated fatty acids aldehydes and heterocyclic compounds produced by the Maillard reaction, so the flavor substances of stir-fried oat flour are richer.ConclusionsStir-fried oat flour, containing diverse types of flavor substances, experienced more obvious flavor changes throughout the storage period than raw oat flour.