Comparative Analysis of Triglycerides From Different Regions and Mature Lactation Periods in Chinese Human Milk Project (CHMP) Study

The kinds and proportions of triglycerides of human mature milk play an independent role in the growth of infants. In this study, the human milk samples obtained from eight different Chinese cities (Chengdu, Weihai, Lanzhou, Jinhua, Beijing, Guangzhou, Zhengzhou, and Harbin) and six sequential mature lactation times (30, 60, 90, 120, 150, and 180 days) were detected for the triglycerides. The result demonstrated that total 66 triglycerides were detected in mature human milk, with acyl carbon number (ACN) numbers were locating in the range of 34–54 and double bond (DB) numbers were locating in the range of 0–6. In addition, the percentage of OPO, OPL, and OOO was relatively higher than others, accounted for more than 4% of total triglycerides in all the lactation areas and times, and the percentage of U2S and LLL triglycerides was also richest in mature milk. Furthermore, it was obvious that lactation regions had more significant effect on the triglycerides compared with lactation time and the triacylglycerols (TAGs) of human milk in Guangzhou were clearly different from that in other regions. Therefore, the results of this study will provide data reference for the design of infant formula suitable for Chinese babies.

Combined application of Online FIGAERO-CIMS and Offline LC-Orbitrap MS to Characterize the Chemical Composition of SOA in Smog Chamber Studies

A combination of online and offline mass spectrometric techniques was used to characterize the chemical composition of secondary organic aerosol (SOA) generated from the photooxidation of α-pinene in an atmospheric simulation chamber. The filter inlet for gases and aerosols (FIGAERO) coupled with a high-resolution time-of-flight iodide chemical ionization mass spectrometer (I–ToF-CIMS) was employed to track the evolution of gaseous and particulate components. Extracts of aerosol particles sampled onto a filter at the end of each experiment were analyzed using ultra-performance liquid chromatography ultra-high-resolution tandem mass spectrometry (LC-Orbitrap MS). Each technique was used to investigate the major SOA elemental group contributions in each system. The online CIMS particle-phase measurements show that organic species containing exclusively carbon, hydrogen and oxygen (CHO group) dominate the contribution to the ion signals from the SOA products, broadly consistent with the LC-Orbitrap MS negative mode analysis which was better able to identify the sulphur-containing fraction. An increased abundance of high carbon number (nC ≥ 16) compounds additionally containing nitrogen (CHON group) was detected in the LC-Orbitrap MS positive ionisation mode, indicating a fraction missed by the negative mode and CIMS measurements. Time series of gas-phase and particle-phase oxidation products provided by online measurements allowed investigation of the gas-phase chemistry of those products by hierarchical clustering analysis to assess the phase partitioning of individual molecular compositions. The particle-phase clustering was used to inform the selection of components for targeted structural analysis of the offline samples. Saturation concentrations derived from near-simultaneous gaseous and particulate measurements of the same ions by FIGAERO-CIMS were compared with those estimated from the molecular structure based on the LC-Orbitrap MS measurements to interpret the component partitioning behaviour. This paper explores the insight brought to the interpretation of SOA chemical composition by the combined application of online FIGAERO-CIMS and offline LC-Orbitrap MS analytical techniques.

Characterisation and Assessment of Physicochemical Properties of Grapeseed Methyl Ester Using Predictive Correlations and ASTM Standards For CI Engine Application

In the present work, a detailed investigation of the physio-chemical characteristics of grapeseed methyl ester (GSME) obtained from winery biomass waste has been carried out to evaluate its suitability as an energy alternate, for CI engines. GSME was subjected to Gas chromatography and mass spectrometry analysis from which fatty acids compositions were determined followed by other interpretations such as carbon number, number of double bonds, etc. Two different predictive correlations were identified from the literature for predicting the properties that are considered important, for using GSME as a fuel. The predicted properties of GSME are compared with the experimental results obtained through standard ASTM procedures, for diesel, neat grapeseed oil (GSO) and GSME, respectively. Further, the influence of the structural and compositional characteristics of GSME on the physicochemical properties like density, kinematic viscosity, lower calorific value, etc. has been evaluated and found to be closer to diesel.

Analysis of Pressurized Pyrolysis Behavior of Yichun Coal at Different Temperature with Gas Chromatography and Mass Spectrometer

The fast pyrolysis connected with gas chromatography/mass spectrometer is used to explore the pyrolysis process of Yichun raw coal, and the influence of different pyrolysis temperatures on the composition and distribution of pyrolysis products under high pressure is investigated. Studies have shown that as the temperature increases, the number of volatile substances gradually decreases, which indicates that high pressure inhibits the production of volatiles. In addition, aromatic hydrocarbons in pyrolysis volatile substances dominate, and as the pyrolysis temperature increases, their content gradually increases. The volatile substances transform towards low carbon number compounds with the increment of temperature.

Plasma Lipidomics Identifies Unique Lipid Signatures and Potential Biomarkers for Patients With Aortic Dissection

Aortic dissection (AD) is a catastrophic cardiovascular emergency with a poor prognosis, and little preceding symptoms. Abnormal lipid metabolism is closely related to the pathogenesis of AD. However, comprehensive lipid alterations related to AD pathogenesis remain unclear. Moreover, there is an urgent need for new or better biomarkers for improved risk assessment and surveillance of AD. Therefore, an untargeted lipidomic approach based on ultra-high-performance liquid chromatograph-mass spectrometry was employed to unveil plasma lipidomic alterations and potential biomarkers for AD patients in this study. We found that 278 of 439 identified lipid species were significantly altered in AD patients (n = 35) compared to normal controls (n = 32). Notably, most lipid species, including fatty acids, acylcarnitines, cholesteryl ester, ceramides, hexosylceramides, sphingomyelins, lysophosphatidylcholines, lysophosphatidylethanolamines, phosphatidylcholines, phosphatidylinositols, diacylglycerols, and triacylglycerols with total acyl chain carbon number ≥54 and/or total double bond number ≥4 were decreased, whereas phosphatidylethanolamines and triacylglycerols with total double bond number <4 accumulated in AD patients. Besides, the length and unsaturation of acyl chains in triacylglycerols and unsaturation of 1-acyl chain in phosphatidylethanolamines were decreased in AD patients. Moreover, lysophosphatidylcholines were the lipids with the largest alterations, at the center of correlation networks of lipid alterations, and had excellent performances in identifying AD patients. The area under the curve of 1.0 and accuracy rate of 100% could be easily obtained by lysophosphatidylcholine (20:0/0:0) or its combination with lysophosphatidylcholine (17:0/0:0) or lysophosphatidylcholine (20:1/0:0). This study provides novel and comprehensive plasma lipidomic signatures of AD patients, identifies lysophosphatidylcholines as excellent potential biomarkers, and would be beneficial to the pathogenetic study, risk assessment and timely diagnosis and treatment of AD.

Experimental Measurements of Wax Precipitation Using a Modified Method of Simultaneous Centrifugation and High-Temperature Gas Chromatography

Wax precipitation and deposition are serious flow assurance problems. Wax precipitation is investigated simultaneously using centrifugation and high-temperature gas chromatography (C-HTGC) to obtain the amount and component distribution of precipitated wax in artificial waxy oil and diesel at different temperatures. However, the conventional C-HTGC method gives upper measurements of the amount of precipitated wax, as it ignores wax dissolved in crude oil in the centrifugal cake. A modified C-HTGC method was developed to obtain the precipitated solid fraction of crude oil, based on the mass balances of the non-crystallized fraction of the centrifuged cake. The weight, percent and carbon number distribution of precipitated solid wax crystals at different temperatures of artificial oil and 0# diesel were obtained. It was found that wax precipitation characteristics are affected by many factors, including the carbon number distribution of the oil, the sensitivity of alkane crystallization to temperature and the temperature of the waxy oil solution. The average carbon number of alkanes in precipitated wax crystals decreases with the decrease in temperature. The distribution of alkanes in solid wax crystals is roughly the same as that in 0# diesel but slightly heavier than in diesel. Alkanes with high carbon numbers precipitate simultaneously with those with low carbon numbers.

Validity of Geochemical Signatures of Abiotic Hydrocarbon Gases on Earth

Abiotic synthesis was hypothesized for the occurrences of hydrocarbon gases with atypical molecular and isotopic compositions. This work provides biotic interpretations on these atypical compositions: 1) microbial CH4 oxidation and CO2-sourced methanogenesis may enrich 13C in hydrothermal CH4; 2) microbial hydrocarbon generation using serpentinization-derived H2 may deplete deuterium in hydrocarbons; 3) three processes may cause isotopic reversal with the carbon number in biotic hydrocarbons: i. the decrease of kinetic isotope effect (KIE) with the increase of carbon number during alkane biodegradation, ii. inverse KIE during the thermal decomposition of higher alkanes, and iii. isotopic fractionation during gas diffusion in rock samples; 4) random scission of long alkyl chains may form the exponential distribution of alkane abundance with respect to carbon number (“Schulz-Flory distribution”); 5) isotopic compositions are often not equilibrated; even if they are, the equilibrium temperatures are not necessarily the same as the temperature of hydrocarbon generation. Case studies demonstrate that previously proposed abiotic hydrocarbon gases in continental serpentinite-hosted seepages, continental or oceanic hydrothermal vents, volcanic emissions, gas fields in volcanic reservoirs, and fluid inclusions in alkaline or granitic rocks were formed with various biotic processes. The occurrence of abiotic hydrocarbon gas with decisive evidence is limited to fluid inclusions in some mantle minerals.Supplementary material: Appendices 1 and 2 and tables S1 and S2 are available at https://doi.org/10.6084/m9.figshare.c.5660278.

Formation of condensable organic vapors from anthropogenic and biogenic volatile organic compounds (VOCs) is strongly perturbed by NO_<i>x</i> in eastern China

Oxygenated organic molecules (OOMs) are the crucial intermediates linking volatile organic compounds (VOCs) to secondary organic aerosols (SOAs) in the atmosphere, but comprehensive understanding of the characteristics of OOMs and their formation from VOCs is still missing. Ambient observations of OOMs using recently developed mass spectrometry techniques are still limited, especially in polluted urban atmospheres where VOCs and oxidants are extremely variable and complex. Here, we investigate OOMs, measured by a nitrate-ion-based chemical ionization mass spectrometer at Nanjing in eastern China, through performing positive matrix factorization on binned mass spectra (binPMF). The binPMF analysis reveals three factors about anthropogenic VOC (AVOC) daytime chemistry, three isoprene-related factors, three factors about biogenic VOC (BVOC) nighttime chemistry, and three factors about nitrated phenols. All factors are influenced by NOx in different ways and to different extents. Over 1000 non-nitro molecules have been identified and then reconstructed from the selected solution of binPMF, and about 72 % of the total signals are contributed by nitrogen-containing OOMs, mostly regarded as organic nitrates formed through peroxy radicals terminated by nitric oxide or nitrate-radical-initiated oxidations. Moreover, multi-nitrates account for about 24 % of the total signals, indicating the significant presence of multiple generations, especially for isoprene (e.g., C5H10O8N2 and C5H9O10N3). Additionally, the distribution of OOM concentration on the carbon number confirms their precursors are driven by AVOCs mixed with enhanced BVOCs during summer. Our results highlight the decisive role of NOx in OOM formation in densely populated areas, and we encourage more studies on the dramatic interactions between anthropogenic and biogenic emissions.