Chromatography-mass Spectrometry System Research Articles

An FDA-Validated, Self-Cleaning Liquid Chromatography-Mass Spectrometry System for Determining Small-Molecule Drugs and Metabolites in Organoid/Organ-on-Chip Medium.

As organoids and organ-on-chip (OoC) systems move toward preclinical and clinical applications, there is an increased need for method validation. Using a liquid chromatography-mass spectrometry (LC-MS)-based approach, we developed a method for measuring small-molecule drugs and metabolites in the cell medium directly sampled from liver organoids/OoC systems. The LC-MS setup was coupled to an automatic filtration and filter flush system with online solid-phase extraction (SPE), allowing for robust and automated sample cleanup/analysis. For the matrix, rich in, e.g., protein, salts, and amino acids, no preinjection sample preparation steps (protein precipitation, SPE, etc.) were necessary. The approach was demonstrated with tolbutamide and its liver metabolite, 4-hydroxytolbutamide (4HT). The method was validated for analysis of cell media of human stem cell-derived liver organoids cultured in static conditions and on a microfluidic platform according to Food and Drug Administration (FDA) guidelines with regards to selectivity, matrix effects, accuracy, precision, etc. The system allows for hundreds of injections without replacing chromatography hardware. In summary, drug/metabolite analysis of organoids/OoCs can be performed robustly with minimal sample preparation.

Development and validation of an innovative headspace collection technique: volatile organic compound patterns emitted by different developmental stages of Halyomorpha halys

Over the past two decades, several headspace collection techniques have been used to detect and identify volatile organic compounds (VOCs) emitted by plants, pests, air, and soil. Volatiles emitted by pests and infected plants are usually found at low concentrations. The important challenge is to be able to capture an exact collection of relative quantities of the relevant VOCs. Here we present an innovative headspace collecting device (HSCD) for sampling VOCs, which ensures an exact regulation of mass flow velocity and collected total gas volume allowing besides qualitative analysis of collected VOCs, an exact comparison of their relative quantities in plant or insect headspace samples. The HSCD possess six parallel odor collection systems each consisting of a digital mass flow detector and controller connected to a vacuum pump, which are mounted in a trolley suitcase, connected by tubes, and wired electrically. The programming of the channels, can be done by a digital control unit. Using the HSCD, VOCs emitted by the brown marmorated stink bug (BMSB), Halyomorpha halys, from its different developmental stages including egg, nymphal stages, nymphal exuvia, and adults were collected on thermal desorption tubes and analyzed using an automated thermal desorber connected to a gas chromatography-mass spectrometry system. Forty-five VOCs were identified in total, which mainly consisted of tridecane (4.36-69.33%), E-2-decenal (4.24-26.48%), 2-undecenal (0.63-50.03%), and E-4-oxo-2-hexenal (1.22-20.58%). The random forest analysis revealed three different chemical patterns among BMSB life stages samples. In conclusion, these results indicate that the new developed HSCD, a mobile, easy to use, and reliable instrument, has a high potential to sample relevant VOCs of a specific life stage of an insect both qualitatively and quantitatively. It was demonstrated that this information can be used for identifying specific chemical signatures, which fit to specific life stages of the BMSB, and may be used as biomarker for on-site detection of this pest e.g. in shipping containers or agricultural areas.

Determination of trace levels of thiazopyr residues in oolong tea samples using metal sieve-linked double syringe based liquid-phase microextraction coupled with gas chromatography-mass spectrometry

Thiazopyr has raised concerns about its potential impact on human health. Hence, detection of trace levels of thiazopyr herbicide has become critically important. This study presents a highly precise and accurate method to determine thiazopyr at trace levels using a combination of metal sieve-linked double syringe based liquid-phase microextraction (MSLDS-LPME) and Gas Chromatography-Mass Spectrometry (GC-MS) system. A thorough optimization of all parameters affecting the method's efficiency was performed using a univariate optimization approach, followed by an evaluation of the system's analytical performance. Employing the developed method in conjunction with the MSLDS-LPME-GC-MS system yielded a limit of detection (LOD) of 2.73 µg/kg and a limit of quantification (LOQ) of 9.11 µg/kg. To assess the method's applicability, a recovery study was conducted using oolong tea as a real sample matrix, employing a matrix-matching calibration approach. The results of recovery studies demonstrated acceptable recoveries ranging from 87.5 % to 101.9 %.

Carboxyl-functionalized mesoporous silica-coated solid-phase microextraction Arrow for the determination of six biogenic amines in animal-derived meat

Mesoporous silica materials, SBA-15 and SBA-16, that functionalized with the carboxyl, vinyl and amino groups were synthesized in this study. The spectroscopic analysis evaluated the physicochemical characteristics of these materials. These materials were coated on the arrow-typed solid phase microextraction (SPME Arrow) to extract biogenic amines (BAs). The influences of these materials' functional groups and spatial structure on their extraction efficiency were studied. Carboxyl group modified SBA-15 (SBA-15-C) exhibited the highest extraction capacity to BAs because of the size exclusion effect and the electrostatic interaction. The extraction and desorption parameters of the SPME Arrow method were optimized. The SBA-15-C-SPME Arrow was coupled with a gas chromatography-mass spectrometry (GC-MS) system for the determination of BAs in animal-derived meat samples, which showed good repeatability (RSD<15%), satisfactory linear range (0.01–1 mg kg–1), low limit of detection (0.001–0.004 mg kg–1), and high recovery (84–129%). This method showed excellent applicability for the quantitative and qualitative detection of six BAs in animal-derived meat samples. This study provides new insight into the development of new sorbents with high extraction capacity to BAs for the selective and sensitive determination of BAs in complex meat samples.

Development of an advanced liquid chromatography–tandem mass spectrometry measurement system for simultaneous sphingolipid analysis

Mass spectrometry-based lipidomics approaches offer valuable tools for the detection and quantification of various lipid species, including sphingolipids. The present study aimed to develop a new method to simultaneously detect various sphingolipid species that applies to diverse biological samples. We developed and validated a measurement system by employing a single-column liquid chromatography-mass spectrometry system utilizing a normal-phase separation mode with positive ionization. The measurement system provided precision with a coefficient of variant below 20% for sphingolipids in all types of samples, and we observed good linearity in diluted serum samples. This system can measure the following sphingolipids: sphingosine 1-phosphate (S1P), sphingosine (Sph), dihydroS1P (dhS1P), dihydroSph (dhSph), ceramide 1-phosphate (Cer1P), hexosylceramide (HexCer), lactosylceramide (LacCer), dh-ceramide, deoxy-ceramide, deoxy-dh-ceramide, and sphingomyelin (SM). By measuring these sphingolipids in cell lysates where S1P lyase expression level was modulated, we could observe significant and dynamic modulations of sphingolipids in a comprehensive manner. Our newly established and validated measurement system can simultaneously measure many kinds of sphingolipids in biological samples. It holds great promise as a valuable tool for laboratory testing applications to detect overall modulations of sphingolipids, which have been proposed to be involved in pathogenesis processes in a series of elegant basic research studies.

An experimental and chemical kinetic simulation study of the high-temperature pyrolysis of linear C1–C5 alcohols

The high-temperature pyrolysis characteristics of C1–C5 linear alcohols, including methanol, ethanol, 1-propanol, 1-butanol, and 1-pentanol, systematically studied experimentally and the results interpreted using a detailed kinetic model. Specifically, a single-pulse shock tube coupled to a gas chromatography-mass spectrometry (GC-MS) system and a gas chromatograph (GC) is used to conduct a comprehensive experimental study on the high-temperature pyrolysis of the five alcohols, at pressures of 5 and 10 bar, in the temperature range 1000–1800 K at 1% fuel diluted by argon. Qualitative and quantitative analyses are conducted on the reactant, intermediate, and product species involved to determine species distributions as a function of temperature. A detailed chemical kinetic mechanism, NUIGMech1.3, is used to simulate the experimental data under the working conditions. The simulation results are compared with the experimental results, and it is shown that the overall trends between experiments and model predictions are relatively ideal in the comparison of all product and reactant concentrations, even though there is still a phenomenon of inaccurate prediction. Reaction pathway analysis is then conducted on the five alcohols. The present work not only provides additional experimental data for alcohols, but also provides insights into the high-temperature pyrolysis characteristics of the five fuels, which will be valuable for further development and optimization of detailed kinetic mechanisms of these alcohols and promote their practical application.

Dilute and shoot approach for toxicology testing.

Toxicology testing is performed in clinical settings, forensic settings, and for controlling doping. Drug screening is a toxicology test to determine if drugs are present in biological samples. The most common specimen type for drug testing is urine, as drugs and/or their metabolites are often more concentrated in the urine, extending the detection window of drugs. The dilute-and-shoot method is a simple procedure used in toxicology testing, where a sample is diluted before being directly injected into the liquid chromatography-mass spectrometry (LC-MS) system. This method is easy, quick, and cost-saving, and can be used for protein-poor liquid specimens such as urine. Thus, it is reasonable and attractive for busy toxicology laboratories to combine the dilute-and-shoot method with high-resolution hyphenated-MS for urine drug screening. This method has several disadvantages, including a suboptimal detection capability for certain analytes, as well as interference from co-eluting matrix components called matrix effects, in which co-eluting matrix molecules alter the ionization efficiency of the analyte molecules at the ionization source in LC-MS, altering (mostly reducing) the analyte detection capability. The matrix effect testing is essential for the validation of LC-MS-based assays. A reasonable approach to addressing these undesirable effects would be to minimize these components. The most straightforward approach is to reduce the amounts of matrix components by using a higher dilution of the specimen and a lower volume for specimen injection. Optimization of the chromatographic separation is another reasonable approach for reducing co-eluting matrix components with the analyte.

Simultaneously characterization of multiple constituents in Valeriana jatamansi Jones using an online supercritical fluid extraction-high-performance liquid chromatography/supercritical fluid chromatography-mass spectrometry system.

Valeriana jatamansi Jones is a commonly used traditional Chinese medicine, boasting rich effective compositions with versatile chemical structures and wide polarity, including iridoids, chlorogenic acid, and flavonoids. Previous reports indicate that conventional high-performance liquid chromatography (HPLC) analytical methods have proven inefficient performance in comprehensively characterizing components in Valeriana jatamansi. In the present study, a hybrid online analytical platform combining supercritical fluid extraction with both conventional HPLC separation (reverse phase) and supercritical fluid chromatography (normal phase) has been established and validated. This system can provide online extraction with two different chromatographic separation modes to increase separation ability and has been connected to a mass spectrometer to acquire high-resolution mass spectrometry data. Then, the online platform was applied to screening components in Valeriana jatamansi. A total of 117 compounds were identified, including five lignans, 18 organic acids, six flavonoids, and 88 iridoids. Thirty-three compounds were reported from Valeriana jatamansi for the first time. These results enrich our understanding of the components of Valeriana jatamansi and prove that the developed online platform in this study is a robust approach for accelerating working efficiency in comprehensively analyzing complicated samples.

A cutting-edge approach based on UHPLC-MS to simultaneously investigate oxysterols and cholesterol precursors in biological samples: Validation in Huntington's disease mouse model

Brain is most cholesterol-rich organ in the body. Since cholesterol does not cross the blood brain barrier, its metabolism is provided in situ by astrocytes and neurons, and it is crucial for maintaining sterol levels and neuronal integrity and function. Recent studies have shown that the levels of cholesterol precursors and metabolites are lower in the brains of animal models of Huntington's disease (HD) while reduced levels of its catabolite are detected in the plasma of patients. In this study, we introduce a novel analytical method designed to fulfill the complex analytical requirements associated with cholesterol metabolites detection in neurodegenerative disorders. The method allows for the simultaneous quantification of a specific set of oxysterols along with cholesterol precursors in biological samples.The proposed method uses an Ultra-High-Performance Liquid Chromatography-Mass Spectrometry (UHPLC-MS) system operating in multiple reaction monitoring (MRM). Since sterols can be found in biological matrices in either free form or esterified to various fatty acids, a three-step extraction procedure was devised, consisting of alkaline hydrolysis, liquid-liquid extraction and final concentration omitting the need for a solid-phase extraction (SPE) step.The validated method achieved a detection limit of 10 ng/mL in plasma and 1 ng/mg in brain tissue, reaching a comparable sensitivity to previously published LC-MS and GC–MS methods. All target analytes were separated on a reverse-phase column employing a segmented gradient and a temperature ramp. This strategy enabled the elution and separation of all selected metabolites within a 30-minutes timeframe. This innovative approach was employed to quantify cholesterol metabolites in both plasma and brain samples from wild-type (WT) and R6/2 mice, a mouse model of HD. The results obtained from the sample analysis highlighted a significant reduction in desmosterol levels in the R6/2 brain at 12 weeks.In conclusion, the proposed method paves the way for further development of high-sensitive and reproducible protocols to comprehensively investigate simultaneous alterations in both cholesterol biosynthesis and catabolism in HD samples.

Application progress of on-line sample preparation techniques coupled with liquid chromatography-mass spectrometry system in the detection of food hazards

Application progress of on-line sample preparation techniques coupled with liquid chromatography-mass spectrometry system in the detection of food hazards

Extraction, Chemical Composition and Antibacterial Activities of The Essential Oil of Salix Babylonica in Viet Nam

This study investigated the chemical compositions and the antibacterial activities of Salix babylonica essential oils from Viet Nam. The gas chromatography-mass spectrometry system was used to analyze the chemical compositions of essential oils. The antibacterial activities of S. babylonica Eos were determined by using diameter of inhibition zones. The result showed that S. babylonica EOs exhibited antibacterial activity against the tested bacteria in a concentration-dependent manner.

Spatial distribution, source identification, and risk assessment of polychlorinated organic pollutants (PCDD/Fs and DL-PCBs) in the sediments of the largest urban water supply area (Iznik lake) in the Marmara region, Bursa, Türkiye

Iznik lake is the biggest lake in the Marmara region, which is the most industrialized and populated area of Türkiye. The lake is one of Türkiye's most important water supply areas and is located nearby the Iznik district of Bursa, with a population of about 45,000. It is being used for irrigation and fishery production, but not for drinking water. In this paper, the distribution, pollution source, and risk assessment of polychlorinated dibenzodioxins/furans (PCDD/Fs) and dioxin-like polychlorinated biphenyls (DL-PCBs) in the surface sediments of Iznik lake and streams (both flowing to and flowing from the lake) were investigated. Six surface sediments collected from the lake and four surface sediments collected from the streams were analyzed in high-resolution gas chromatography-mass spectrometry (HR/GC–MS) system in accordance with EPA 1613 and EPA 1668 methods. The concentration ranges of the ∑PCDD/Fs is 21.4 pg/g d.w. (inside the lake (IZ-6)) – 54.5 pg/g d.w. (Gülayağı stream (IZ-8)) and ∑DL-PCBs is 13.5 pg/g d.w. (inside the lake (IZ-3)) – 46.3 pg/g d.w. (Olukdere (IZ-7)) respectively, with 2.68 pg TEQ/g d.w. on average. The results showed that the high chlorinated (Hepta – Octa CDD/Fs) dioxins/furans and pentachlorinated PCBs (PCB 118 and 105) are dominant in the sediments. A detailed assessment of PCDD/F congener profiles observed in the lake sediments speculated that the wastewater discharges to the lake could be the main pollution source, while other sources such as open burning activities, runoff of pesticide residues from agricultural areas and atmospheric deposition may have some contribution also. The health risk assessment performed for polluted sediment demonstrated that, in the worst case, dioxin-like (PCDD/Fs and DL-PCBs) concentration was a total intake of 0.37 pg TEQ/kg body weight/day, no exceeds the tolerable daily intake amount, where fish consumption accounts for nearly all of the total intake.

INVESTIGATION INTO THE PESTICIDES RESIDUES IN SESAME, MILLET, RICE, AND GUINEA CORN GROWN AROUND THE HADEJIA-KOMADUGU-YOBE RIVER AREA IN YOBE STATE, NIGERIA.

Application of pesticides during crop production often results in pesticide residue, a significant source of heavy metals in the harvested crops. This raises concern for consumers' health due to the potentially deleterious effects of pesticides on animals, particularly humans. This study examined the levels of pesticide residues using a gas chromatography-mass spectrometry (GC-MS) system and heavy metal elements concentration using Atomic Absorption Spectrometry (AAS) in four food crops (Sesame, Millet, Rice, and Guinea corn) cultivated in (Gwio-Kura) Gashua and Hadejia towns in Nigeria. The results disclosed that Sesame was the only crop with Dichlorvos from both Gashua and Hadejia, surpassing the WHO's limit for pesticide residue concentrations, and that the Hadejia samples had higher levels than the Gashua samples. The study also detected traces of Cadmium (Cd), Lead (Pb), Nickel (Ni), and Manganese (Mn) in the crops, but they were below the permissible intake levels established by FAO/WHO. However, Arsenic (As) and Chromium (Cr) exceeded the FAO/WHO limits and may entail serious health problems such as kidney damage and cancer. Mercury (Hg) was not detected in any of the crops. Our findings suggest health authorities monitor and regulate heavy elements intake in food crops, especially those with high toxic contamination, to prevent adverse health effects such as the kidney disease on humans and animals, currently prevalent in the area.&#x0D;

Untargeted-based metabolomics analysis and in vitro/in silico antiviral activity of extracts from Phyllanthus brasiliensis (Aubl.) Poir.

This study describes the molecular profile and the potential antiviral activity of extracts from Phyllanthus brasiliensis, a plant widely found in the Brazilian Amazon. The research aims to shed light on the potential use of this species as a natural antiviral agent. The extracts were analysed using liquid chromatography-mass spectrometry (LC-MS) system, a potent analytical technique to discover drug candidates. In the meantime, in vitro antiviral assays were performed against Mayaro, Oropouche, Chikungunya, and Zika viruses. In addition, the antiviral activity of annotated compounds was predicted by in silico methods. Overall, 44 compounds were annotated in this study. The results revealed that P. brasiliensis has a high content of fatty acids, flavones, flavan-3-ols, and lignans. Furthermore, in vitro assays revealed potent antiviral activity against different arboviruses, especially lignan-rich extracts against Zika virus (ZIKV), as follows: methanolic extract from bark (MEB) [effective concentration for 50% of the cells (EC50 ) = 0.80 μg/mL, selectivity index (SI) = 377.59], methanolic extract from the leaf (MEL) (EC50 = 0.84 μg/mL, SI = 297.62), and hydroalcoholic extract from the leaf (HEL) (EC50 = 1.36 μg/mL, SI = 735.29). These results were supported by interesting in silico prediction, where tuberculatin (a lignan) showed a high antiviral activity score. Phyllanthus brasiliensis extracts contain metabolites that could be a new kick-off point for the discovery of candidates for antiviral drug development, with lignans becoming a promising trend for further virology research.

The Production of Bioaroma by Auriporia aurulenta Using Agroindustrial Waste as a Substrate in Submerged Cultures

The present study was carried out to investigate the potential of the basidiomycete Auriporia aurulenta to metabolize residues remaining from the processing of umbu, cajá, plum, and persimmon fruits for the production of natural aroma compounds using submerged fermentation. The volatile compounds obtained from the fermentation of A. aurulenta cultivated in these residues were extracted via stir bar sorptive extraction (SBSE) and analyzed using a gas chromatography-mass spectrometry (GC-MS) system. Esters and alcohols were the main compounds produced, with emphasis on the compounds 2-phenethyl acetate and 2-phenylethanol, which were mainly produced from umbu residue. The acid medium favored the production of 2-phenethyl acetate, reaching its maximum value (11.38 mg/L) on day 3.5, while higher concentrations of 2-phenylethanol were found in the basic medium, with optimal production (2.27 mg/L) on the 7th day. By varying the concentrations of pre-inoculum and residue in the optimization of this fermentation process, it was possible to double the production (24.47 mg/L) of 2-phenethyl acetate and obtain a seven times higher concentration (15.56 mg/L) of 2-phenylethanol. The diversity and expressive production of these aromatic compounds found in the fermentation media using these agroindustrial residues indicate that their use as substrates is an economical and environmentally viable alternative.

System to screen and purify active ingredients from herbal medicines using hydrogel-modified human umbilical vein endothelial cell membrane chromatography coupled with semi-preparative high-performance liquid chromatography-offline-high-performance liquid chromatography-mass spectrometry.

Analytical screening and validation systems based on a combination of cell membrane chromatography and two-dimensional chromatography-tandem mass spectrometry are incapable of providing prepared samples containing the active ingredients found in traditional Chinese medicine; therefore, these samples cannot be directly used in subsequent studies. In this study, a semi-preparative cell membrane chromatography column was developed using a hydrogel-modified carrier and human umbilical vein endothelial cells to optimize prepared conditions, such as hydrogel polymerization, cell fragmentation, and cell membrane volume. This increased the binding ratio of membrane protein and carrier to 15.79mg/g. The column was systematically evaluated using multitarget tyrosine kinase inhibitors that displayed good specificity and reproducibility. Subsequently, using the column coupled with a semi-preparative high-performance liquid chromatography-offline-high-performance liquid chromatography-mass spectrometry system, 15 active ingredients were screened and purified from Indigo naturalis, and five main components were identified: l-lysine, oxyresveratrol, tryptanthrin, isorhamnetin, and indirubin. Furthermore, the pharmacological effects of the ingredients were confirmed using cell proliferation and apoptosis assays. Results revealed potent proliferation-inhibiting and apoptosis-promoting abilities on human chronic myelogenous leukemic cells and human promyelocytic leukemic cells (p<0.001). Overall, the system presented screening and purification functions that could be used to prepare I. naturalis samples acting on the epidermal growth factor receptor and vascular endothelial cell growth factor.

GC-MS analysis of exhaled gas for fine detection of inflammatory diseases

Exhaled gas analysis is a non-invasive test ideal for continuous monitoring of biological metabolic information. We analyzed the exhaled gas of patients with inflammatory diseases for trace gas components that could serve as biomarkers that enable early detection of inflammatory diseases and assessment of treatment efficacy. Furthermore, we examined the clinical potential of this method. We enrolled 34 patients with inflammatory disease and 69 healthy participants. Volatile components from exhaled gas were collected and analyzed by a gas chromatography-mass spectrometry system, and the data were examined for gender, age, inflammatory markers, and changes in markers before and after treatment. The data were tested for statistical significance through discriminant analysis by Volcano plot, Analysis of variance test, principal component analysis, and cluster analysis comparing healthy and patient groups. There were no significant differences in the trace components of exhaled gas by gender or age. However, we found differences in some components of the exhaled gas between healthy and untreated patients. In addition, after treatment, gas patterns including the patient-specific components changed to a state closer to the inflammation-free status. We identified trace components in the exhaled gas of patients with inflammatory diseases and found that some of these regressed after treatment.

Chemical profiling of Ziziphi spinosae semen using on-line comprehensive two-dimensional LC-MS based on a novel phthalic anhydride bonded stationary phase.

Ziziphi spinosae semen has been widely used to treat insomnia and anxiety. To profile its chemical components, an online comprehensive two-dimensional LC-MS was developed. In this two-dimensional LC system, a novel phthalic anhydride bonded stationary phase column was combined with a C18 column. As a result, this new stationary phase exhibited remarkable differences in separation selectivity from C18, achieving a good orthogonality of 83.3%. Moreover, this new stationary phase with weaker hydrophobicity than C18 realized solvent compatibility in the online configuration. Coupled with tandem MS, 154 compounds were identified, including 51 unreported compounds. Compared with one-dimensional LC-MS, this online two-dimensional LC-MS system exhibited a much higher resolving power in isomer separation. This work provided an effective separation and characterization method for the material basis of Ziziphi spinosae semen. This strategy provides ideas for the material basis research of other traditional Chinese medicines. This article is protected by copyright. All rights reserved.

Insights into the nitroaromatic compounds, formation, and light absorption contributing emissions from various geological maturity coals

Nitroaromatic compounds (NACs) are essential components of atmospheric organic aerosols. Coal combustion is a key source of atmospheric NACs. In this study, a triple-quadrupole liquid chromatography-mass spectrometry (LC-MS) system was used to identify ten individual NAC emitted in combustions of chunk coal and its briquette at different maturity levels. The Gaussian calculation was applied to quantify the absorption contribution of NACs to brown carbon (BrC). The emission factors (EFs) of total quantified NACs (ΣNACs) are 21.80–4429.55 μg/kg. 4-Nitrocatechol (4NC) is the most abundant NACs, accounting for 25.5–82.3 % of the ΣNACs and has the largest contribution to light absorption (0.34–29.23 %). The EFs for ΣNACs of chunk coal are 1.1–3.0 times those of its briquette, while the coal with volatile matter (VM) = 35.83 % shows the highest NAC emissions. The reaction pathway analysis demonstrates that NACs in briquette are generated through the pyrolysis of coal tar at an early stage of coal combustion, while volatile organic compounds (VOCs) that are emitted in chunk coal contribute greatly to the formations of NACs. The molecular properties analysis reveals that ΣNACs contribute 0.47–35.27 % to BrC light absorption. Anthracite coal (VM = 8.01 %) demonstrates the lowest light absorption coefficient (babs-365). Since bituminous coal (with VM = ~10 %–40 %) is popularly used for heating in rural China in winter, the results of this study could assist to evaluate the climate and environmental impacts on the NACs emission from coal combustion on a regional scale. Finally, the results highlighted that replacements of bituminous by clear fuel (such as chunk or briquette anthracite) could reduce NACs emission effectively.

Chemical Profiles of Heterodera glycines Suppressive Soils in Double Cropping Soybean Production.

We previously reported soybean fields double-cropped with winter wheat having reduced soybean cyst nematode (SCN) (Heterodera glycines) counts compared to fallow. A follow-up metagenomics study identified several fungal and bacterial taxa enriched in wheat fields, and some were reported to parasitize SCN. Knowing that phytocompounds with potential nematicidal activity are released via wheat roots and stubble, we implemented a dichloromethane-based extraction method and a gas chromatography-mass spectrometry (GCMS) system to investigate soil chemical profiles of samples collected from these fields and review the potential nematicidal activity of compounds with higher concentration in double cropping fields. 51 compounds were detected during the GCMS analysis, eight with unknown identification. Several compounds, including multiple fatty acids, had larger relative peak areas when double-cropped, compared to fallow samples. This study, along with our previously published one, provided a better understanding of the mechanisms that govern the effect of wheat on SCN populations. Rather than driven by a single mechanism, the suppression of SCN in soybean fields double-cropped with winter wheat was potentially linked to enriched microbial communities, increased populations of beneficial organisms, and higher concentrations of chemicals with potential nematicidal activity. To our knowledge, this is the first study using GCMS to characterize soil chemical profiles in soybean fields double-cropped with winter wheat regarding the suppression of SCN populations.