Secondary Mass Research Articles

Orbits and masses in two triple systems

Abstract In an effort to determine accurate orbital and physical properties of a large number of bright stars, a method was developed to fit simultaneously stellar parameters (masses, luminosities, effective temperatures), distance, and orbits to the available data on multiple systems, namely the combined and differential photometry, positional measurements, radial velocities (RVs), accelerations, etc. The method is applied to a peculiar resolved triple system HIP 86286. The masses of its components estimated using observations and standard relations are 1.3, 0.9, and 0.9 M⊙; the main star is a G8IV subgiant, while its two companions are main-sequence dwarfs. The inner and outer orbital periods are 35 and 287 years, respectively, and the orbits are nearly coplanar. The second system, HIP 117258, is an accelerating star with a resolved companion; its 35.7-yr orbit based on relative astrometry and precise RVs yields the secondary mass of 0.95 M⊙, much larger than inferred from the photometry. The apparent paradox is explained by assuming that the secondary is a close pair of M-type dwarfs with yet unknown period.

Online characterization of primary and secondary emissions of particulate matter and acidic molecules from a modern fleet of city buses

Abstract. The potential impact of transitioning from conventional fossil fuel to a non-fossil-fuel vehicle fleet was investigated by measuring primary emissions via extractive sampling of bus plumes and assessing secondary mass formation using the Gothenburg Potential Aerosol Mass (Go:PAM) reactor from 76 in-use transit buses. Online chemical characterization of gaseous and particulate emissions from these buses was conducted using chemical ionization mass spectrometry (CIMS) with acetate as the reagent ion, coupled with the Filter Inlet for Gases and AEROsols (FIGAERO). Acetate reagent ion chemistry selectively ionizes acidic compounds, including organic and inorganic acids, as well as nitrated and sulfated organics. A significant reduction (48 %–98 %) in fresh particle emissions was observed in buses utilizing compressed natural gas (CNG), biodiesels like rapeseed methyl ester (RME) and hydrotreated vegetable oil (HVO), and hybrid-electric HVO (HVOHEV) compared to diesel (DSL). However, secondary particle formation from photooxidation of emissions was substantial across all the fuel types. The median ratio of particle mass emission factors of aged to fresh emissions increased in the following order: DSL buses at 4.0, HVO buses at 6.7, HVOHEV buses at 10.5, RME buses at 10.8, and CNG buses at 84. Of the compounds that can be identified by CIMS, fresh gaseous emissions from all Euro V/EEV (Enhanced Environmentally friendly Vehicle) buses, regardless of fuel type, were dominated by nitrogen-containing compounds such as nitrous acid (HONO), nitric acid (HNO3), and isocyanic acid (HNCO), alongside small monoacids (C1−C3). Notably, the emission of nitrogen-containing compounds was lower in Euro VI buses equipped with more advanced emission control technologies. Secondary gaseous organic acids correlated strongly with gaseous HNO3 signals (R2=0.85–0.99) in Go:PAM, but their moderate to weak correlations with post-photooxidation secondary particle mass suggest that they are not reliable tracers of secondary organic aerosol formation from bus exhaust. Our study highlights that non-regulated compounds and secondary pollutant formation, not currently addressed in legislation, are crucial considerations in the evaluation of environmental impacts of future fuel and engine technology shifts.

Fizzy extraction secondary electrospray ionization mass spectrometry for analysis of volatile solutes in high-matrix samples

Fizzy extraction secondary electrospray ionization mass spectrometry for analysis of volatile solutes in high-matrix samples

Binary black hole mergers from Population III star clusters

Binary black holes (BBHs) that are born from the evolution of Population III (Pop. III) stars are one of the main high-redshift targets for next-generation ground-based gravitational-wave (GW) detectors. Their predicted initial mass function and lack of metals make them the ideal progenitors of black holes above the upper edge of the pair-instability mass gap, that is, with a mass higher than ~134 (241) M⊙ for stars that become (or do not become) chemically homogeneous during their evolution. We investigate the effects of cluster dynamics on the mass function of BBHs that are born from Pop. III stars by considering the main uncertainties on the mass function of Pop. III stars, the orbital properties of the binary systems, the star cluster mass, and the disruption time. In our dynamical models, at least ~5% and up to 100% BBH mergers in Pop. III star clusters have a primary mass m1 above the upper edge of the pair-instability mass gap. In contrast, only ≲3% isolated BBH mergers have a primary mass above the gap, unless their progenitors evolved as chemically homogeneous stars. The lack of systems with a primary and/or secondary mass inside the gap defines a zone of avoidance with sharp boundaries in the plane of the primary mass-mass ratio. Finally, we estimate the merger rate density of BBHs. In the most optimistic case, we find a maximum of ℛ ~ 200 Gpc-3 yr-1 at ɀ ~ 15 for BBHs that formed via dynamical capture. For comparison, the merger rate density of isolated Pop. III BBHs is ℛ ≤ 10 Gpc−3 yr−1 for the same model of Pop. III star formation history.

Discovery of the Binarity of Gliese 229B, and Constraints on the System's Properties

We present two epochs of radial velocities of the first imaged T dwarf Gliese 229 B obtained with Keck/NIRSPEC. The two radial velocities are discrepant with one another and with the radial velocity of the host star, at ≈11σ significance. This points to the existence of a previously postulated, but as-yet undetected, massive companion to Gl 229 B; we denote the two components as Gl 229 Ba and Gl 229 Bb. We compute the joint likelihood of the radial velocities to constrain the period and mass of the secondary companion. Our radial velocities are consistent with an orbital period between a few days and ≈60 days, and a secondary mass of at least ≈15 M Jup and up to nearly half the total system mass of Gl 229 B. With a significant fraction of the system mass in a faint companion, the strong tension between Gl 229 B’s dynamical mass and the predictions of evolutionary models is resolved.

Dynamic characteristics of the hydrogen injector-ejector unit in a PEM fuel cell system

The ejector, as a fluid-dynamics controlled passive component, is a promising hydrogen recirculation device in proton exchange membrane (PEM) fuel cell systems. Nevertheless, its performance is significantly affected by dynamic operating conditions and the behavior of the injector. This study investigates the dynamic performance of an ejector integrated with a hydrogen injector in a 100 kW PEM fuel cell system. A dynamic computational fluid dynamics (CFD) model of the integrated injector-ejector unit is developed using a dynamic mesh method and validated through theoretical analysis and experimental data. A thorough analysis of the global performance and local fluid flow characteristics of the injector-ejector unit is conducted. The results show that the hydrogen injector, with a throat diameter of 2.00 mm, exhibits an adjustable linear flow range from 0 to 1.62 g/s under an inlet pressure of 2.0 MPa. Additionally, the primary mass flow rate can be linearly regulated by adjusting the valve gap, while the secondary mass flow rate exhibits asynchronous behavior with the primary flow. The velocity and temperature distributions within the injector-ejector unit undergo significant changes under dynamic conditions. These findings contribute to optimizing the design and control strategies of hydrogen supply components in PEM fuel cell systems.

Analysis of lipid composition of cell-bound membrane vesicles (CBMVs) derived from endothelial cells

Cell-bound membrane vesicles (CBMVs), a novel type of membrane vesicles, have been identified through a series of characterization tools. However, the lipid composition of CBMVs has not yet been characterized. This study focuses on the differences in lipid composition between CBMVs and cell membranes. In order to determine the lipid composition of CBMVs and cell membranes of Human umbilical vein endothelial cells (HUVECs) and find out differential metabolites, this study was carried out by isolating CBMVs lipids and characterizing them using high-performance liquid chromatography tandem secondary mass spectrometry (LC-MS/MS). The results showed the presence of 213 up-regulated and 726 down-regulated lipids in CBMVs compared to cell membranes which produced CBMVs. There are lipids expressed in CBMVs and not in cell membranes: DGDG 18:0_8:0, DGDG O-8:0_16:1, DGDG O-26:7_26:7, DGDG O-16:3_26:7, TG 15:4_21:5_22:5; 4O, PC 49:11, PG 19:5_38:10, PI 60:14, PI 44:9, PI 25:2, PI 43:5, PI 50:10, PS 55:10. DGDG (digalactosyl diglyceride), MGDG (monogalactosyl diglyceride) belongs to galactosyl diglyceride, promotes fat catabolism, which also has antioxidant and anti-inflammatory effects, and unsaturated diacylglycerols are a class of antioxidant compounds, which enables CBMVs to have a therapeutic potential.

Iron-Containing Seed Particles Enhance α-Pinene Secondary Organic Aerosol Mass Concentration and Dimer Formation.

Secondary organic aerosol (SOA) comprises the majority of submicron particles and is important for air pollution, health, and climate. When SOA mixes with inorganic particles containing transition metals (e.g., Fe), chemical reactions altering physicochemical properties can occur. Here, we study Fe's impact on the formation and chemical composition of SOA formed via dark α-pinene ozonolysis on either (NH4)2SO4 or Fe-containing (NH4)2SO4 seed particles and aged at varying relative humidities (RHs). Aerosol composition was determined using online extractive electrospray ionization mass spectrometry, providing high-resolution chemical and temporal identification of monomers and dimers in the SOA. At high RH, Fe's presence resulted in higher particulate SOA mass concentrations (117 ± 14 μg m-3) than those formed in its absence (70 ± 1 μg m-3). Enhanced mass is coupled with more dimers (C15-20's), attributed to Fenton-driven oligomerization reactions. Experiments with Fe3+-containing seeds showed similar chemical composition and enhanced SOA mass, suggesting a dark reduction pathway to form Fe2+ in the presence of SOA. Overall, Fe's presence at high RH lowers SOA volatility and enhances particulate organic mass and condensed phased reactions of higher volatility species that would normally not participate in SOA formation, which may be important when considering its formation in air quality and climate models.

New diagenetic constraints for the interpretation of Neoarchaean stromatolitic dolostone geochemical composition and their palaeoenvironmental significance

Abstract The stromatolitic dolostones of the Ramonnedi Formation in the Lower Transvaal Supergroup of Botswana formed along a shallow carbonate platform during the transition between the Archaean and Proterozoic eons. These dolostones are bound to reveal more details of the mechanisms and timing of Earth oxygenation and particularly the role of microbial communities in the formation of carbonate platforms in the Archaean; but only if we are able to discriminate what signature is pristine and what is due to diagenetic overprinting. Here, the focus is on the isotopic composition of stromatolitic dolostone, pyrite grains and chert laminations found within the Ramonnedi Formation. Oxygen and carbon isotopes were investigated from the Ramonnedi Formation stromatolitic dolostones in order to constrain chemo-physical conditions at the time of deposition and, eventually, evaluate to what extent the system was re-set during diagenetic processes. In situ δ34S and δ18O compositions were determined by secondary ionisation mass spectrometry (SIMS) from pyrite and chert, respectively. These novel results complement previous analyses and reveal that: (i) the pyrite grains are not common in the dolostones and when present have sulphur isotope compositions that point toward abiotic formation; (ii) dolostone δ13CVPDB values between -1.2 and -0.7‰ are close to marine values and might reflect pristine Archaean signature; (iii) the dolostone δ18OVPDB values, between -9 and -11‰, on the other hand, might reflect diagenetic resetting or very warm Archaean seawater, in line with the δ18O values from the chert laminae in the upper Ramonnedi Formation. (iv) The correct interpretation of these results has important implications in the interpretation of the geochemical proxies coming from the lower Transvaal Supergroup carbonate platform and for the interpretation of the onset of the Great Oxidation Event (GOE). Aim of this work is to complement the existing data on the Lower Transvaal Supergroup of Botswana and assess to what extent the geochemistry of these dolostone was overprinted during diagenesis/metasomatism. These results indicate that a multi-analytical approach is required to ensure the correct interpretation of geochemical proxy data related to the onset of the GOE.

Systematic study of polymer gas sampling bags for offline analysis of exhaled breath

Polymeric bags are a widely applied, simple, and cost-effective method for the storage and offline analysis of gaseous samples. Various materials have been used as sampling bags, all known to contain impurities and differing in their cost, durability, and storage capabilities. Herein, we present a comparative study of several well-known bag materials, Tedlar (PVF), Kynar (PVDF), Teflon (PTFE), and Nalophan (PET), as well as a new material, ethylene vinyl copolymer (EVOH), commonly used for storing food. We investigated the influences of storage conditions, humidity, bag cleaning, and light exposure on volatile organic compound concentration (acetone, acetic acid, isoprene, benzene, limonene, among others) in samples of exhaled human breath stored in bags for up to 48 h. Specifically, we show high losses of short-chain fatty acids (SCFAs) in bags of all materials (for most SCFAs, less than 50% after 8 h of storage). We found that samples in Tedlar, Nalophan, and EVOH bags undergo changes in composition when exposed to UV radiation over a period of 48 h. We report high initial impurity levels in all the bags and their doubling after a period of 48 h. We compare secondary electrospray ionization and proton transfer reaction mass spectrometry in the context of offline analysis after storage in sampling bags. We provide an analytical perspective on the temporal evolution of bag contents by presenting the intensity changes of all significantm/zfeatures. We also present a simple, automated, and cost-effective offline sample introduction system, which enables controlled delivery of collected gaseous samples from polymeric bags into the mass spectrometer. Overall, our findings suggest that sampling bags exhibit high levels of impurities, are sensitive to several environmental factors (e.g. light exposure), and provide low recoveries for some classes of compounds, e.g. SCFAs.

An Analytical Method for Quantification of Sn Isotope Variations in Geological Materials Using MC‐ICP‐MS

A robust analytical method is presented here, for measurements of Sn isotope variations with high precision using a multi‐collector inductively coupled plasma‐mass spectrometer (MC‐ICP‐MS). A silicate rock dissolution procedure was used, together with means to remove organic matter introduced by the resin during ion‐exchange chromatography. The two‐stage ion exchange chromatography efficiently isolates Sn from the matrix and isobarically interfering elements, from samples with variable Sn mass fractions (~ 0.03 to 7 μg g−1). A double spike technique was also implemented to correct any secondary mass bias induced during sample processing and isotope ratio measurements. An intermediate precision (2s) of ± 0.47 was obtained for ε122/118Sn (using internal normalisation; n = 70 over a period of 29 months), ± 0.021‰ for δ122/118Sn (using double spike; n = 176 over a period of 29 months) and ± 0.059‰ for δ122/118Sn (using Sb doping; n = 34 over a period of 4.5 months) for the Sn standard solution, NIST SRM 3161a (Lot# 140917). The δ122/118SnNIST SRM 3161a of eleven geological reference materials are reported for the first time (BIR‐1a, BRP‐1, DTS‐2b, ECRM 782‐1, JP‐1, OKUM, QLO‐1a, RGM‐2, SGR‐1b, STM‐2 and UB‐N), with five others (AGV‐2, BCR‐2, BHVO‐2, GSP‐2 and W‐2a) showing similar results to previous studies, generally with improved precision. The intermediate precision (2s) of replicate dissolutions of ten RMs (AGV‐2, BCR‐2, BHVO‐2, BIR‐1a, DTS‐2b, GSP‐2, OKUM, SGR‐1b, STM‐2 and W‐2a) varied from 0.003 to 0.054‰. Typical repeatability precision (2SE) of individual measurements of these ten RMs over multiple measurement sessions varied from 0.031 to 0.297‰ (with 120Sn+ beam intensity < 2.37 V) and 0.017 to 0.025‰ (with 120Sn+ beam intensity > 2.37 V).

Concept, optimization and performance evaluation of a novel particle tuned inertial damper (PTID)

Developing more effective vibration control systems is a hot topic in the field of structural vibration control. In the past decades, many types of control systems have been developed, including the well-known particle dampers (PDs). However, the widespread applications of particle dampers are still limited due to some inherent issues: namely large secondary mass and low capacity of energy dissipation in some cases. To address the above issues, a novel particle tuned inertial damper (PTID) is proposed based on the concept of inerter. In particular, the configuration and working mechanism of PTID are first introduced, and a multi-objective optimization framework is formulated by concurrently minimizing both the displacement and acceleration responses. Subsequently, the seismic control effectiveness of PTID is demonstrated by using a single-degree-of-freedom (SDOF) system, and parametric studies are performed to investigate the influences of the preassigned particle mass ratio, inertance-to-mass ratio and amplification factor on the optimal parameters and control performance of PTID. Finally, case studies are performed to further illustrate the control effectiveness of PTID in the seismic protection of a three-story structure. The results demonstrate that, compared to the traditional PD, the proposed PTID could more effectively suppress both the displacement and acceleration responses by utilizing a much smaller particle mass ratio; and increasing the particle mass ratio and amplification factor can enhance the control effectiveness of PTID.

BreathXplorer: Processing Online Breathomics Data Generated from Direct Analysis Using High-Resolution Mass Spectrometry.

Nontargeted breath analysis in real time using high-resolution mass spectrometry (HRMS) is a promising approach for high coverage profiling of metabolites in human exhaled breath. However, the information-rich and unique non-Gaussian metabolic signal shapes of real-time HRMS-based data pose a significant challenge for efficient data processing. This work takes a typical real-time HRMS technique as an example, i.e. secondary electrospray ionization high-resolution mass spectrometry (SESI-HRMS), and presents BreathXplorer, an open-source Python package designed for the processing of real-time exhaled breath data comprising multiple exhalations. BreathXplorer is composed of four main modules. The first module applies either a topological algorithm or a Gaussian mixture model (GMM) to determine the start and end points of each exhalation. Next, density-based spatial clustering of applications with noise (DBSCAN) is employed to cluster m/z values belonging to the same metabolic feature, followed by applying an intensity relative standard deviation (RSD) filter to extract real breath metabolic features. BreathXplorer also offers functions of (1) feature alignment across the samples and (2) associating MS/MS spectra with their corresponding metabolic features for downstream compound annotation. Manual inspection of the metabolic features extracted from SESI-HRMS breath data suggests that BreathXplorer can achieve 100% accuracy in identifying the start and end points of each exhalation and acquire accurate quantitative measurements of each breath feature. In a proof-of-concept study on exercise breathomics using SESI-HRMS, BreathXplorer successfully reveals the significantly changed metabolites that are pertinent to exercise. BreathXplorer is publicly available on GitHub (https://github.com/HuanLab/breathXplorer). It provides a powerful and convenient-to-use tool for the researchers to process breathomics data obtained by directly analysis using HRMS.

Experimental and numerical investigations of secondary granular flow

AbstractAmong the geological disasters in the form of granular flow, the secondary slide mass is often neglected, potentially leading to unexpected losses. Results indicate that under conditions of a certain sliding total mass, the secondary granular flow in the deposition area is significantly influenced by pre‐formed deposits when tested in a flow flume. When the initial sliding mass is small and the mass ratio of two slides is less than 12.5%, the secondary sliding mass expands the runout distance, thereby increasing potential harm. To elucidate the interaction between the secondary sliding mass and the previously formed deposition, DEM (the discrete element method) was employed based on experimental tests.. The numerical results show that the previous deposition effectively blocks the secondary granular flow. When the initial sliding mass is small, the front edge of the second slide may overtop the previous deposition, extending the runout distance by impact, extrusion, and pushing. The DEM proves to be a reliable and effective tool for studying the secondary granular flow, revealing complex phenomena and processes that complement experimental research. This study provides valuable references for a more in‐depth understanding of multi‐phase continuous disaster processes.

Vibration control and energy harvesting of offshore wind turbines installed with TMDI under dynamical loading

This study investigates the performance of multiple tuned mass-damper-inerter with multiple electromagnetic motor (TMDI-EM) for the dual objectives of enhancing energy harvesting and dynamic performance in offshore wind turbines (OWTs). OWTs, inherently susceptible to dynamic sensitivity under lateral loads such as wind and waves, necessitate effective solutions for vibration mitigation while harnessing energy from dynamic excitations. The TMDI-EM configuration integrates an electromagnetic motor (EM) as a shunt damper between a secondary mass and an inerter element in series. The scalable inertance of the inerter element allows for adaptability in practical device implementations. Genetic Algorithm (GA) is employed to find optimum parameters for the TMDI-EM system. The research focuses on the dynamic response of OWTs under real-world conditions, where wind and wave forces act as correlated random excitations. Parametric analyses assess the available energy for harvesting at the EM and the displacement variance of the OWT structure as the inertance of the TMDI-EM varies. The study employs methods to optimize the TMDI-EM parameters using Genetic Algorithm, ensuring the system's optimal performance for both enhanced energy harvesting and dynamic response. The findings indicate that lightweight TMDI-EMs, representing only 1.5 % of the OWT structure's mass, demonstrate improved vibration suppression and energy harvesting performance with increasing inertance. This study contributes into the potential integration of TMDI-EMs to enhance the dynamic performance and energy harvesting capabilities of offshore wind turbines under dynamical loading conditions. The use of Genetic Algorithm ensures the identification of optimal parameters for the TMDI-EM system, enhancing its practical applicability.

Companion-launched jets at varying companion masses

ABSTRACT We conduct three-dimensional hydrodynamic simulations, and show that when a secondary star launches jets while interacting with a primary $0.88~\mathrm{ M}_{\rm \odot }$ giant star in a close orbit, the system can avoid entering the common envelope evolution (CEE). Instead of a fast in-spiral, the companion slowly enters the envelope as the jets facilitate the unbinding of the giant star envelope outside the companion orbit, in what is termed the grazing envelope evolution (GEE). The assumptions are that the secondary main-sequence star accretes mass via an accretion disc, and that the accretion disc launches the jets. We perform two sets of simulations with and without jets for different companion masses at the range of 0.1–0.9 M$_{\odot }$, maintaining a constant jet power in the former case of $1.5\times 10^{38}~{\rm ergs~s^{-1}}$. We examine which of the simulated systems undergo a GEE rather than a CEE and how efficiently the jets unbind the envelope. The results indicate that systems with companion masses at the range of 0.1–0.3 M$_{\odot }$ are more likely to result in a phase of GEE lasting 1–3 yr. With the smallest companion, a 0.1 solar mass star, the jets unbind 65 per cent of the envelope mass, while almost none of the envelope is unbound if jets are not present. The results of the simulations show that the GEE can serve as an alternative to the CEE, in forming short-period binaries that have compact objects and an ejected envelope.

Study on the Mass Spectrometry Cleavage Pattern of Quinolone Antibiotics.

Quinolone antibiotics are extensively used clinically for human treatment and in agriculture. However, improper and excessive use can lead to the persistence of quinolone residues in animal tissues, potentially accumulating in the human body and posing health risks. Investigating the correlation between mass spectrometry cleavage patterns and molecular structural features enhances the analytical framework for detecting trace or unknown impurities in quinolones. To collect data, we employed triple quadrupole linear ion trap mass spectrometry in electrospray positive ion mode. Primary mass spectrometry scanning was utilized to confirm parent ions, while secondary mass spectrometry scanning enabled the observation of fragment ions. The cleavage characteristics and pathways of the compounds were inferred from accurate mass-to-charge ratios obtained from both primary and secondary mass spectrometry. Under soft ionization conditions, the compounds generally exhibited characteristic fragment ions of [M+H-H2O]+, [M+H-CO]+, and [M+H-H2O-CO]+. Additionally, subtle variations were observed in each compound due to differences in modifying groups. For instance, upon deacidification, the piperazine ring structure underwent breakage and rearrangement, yielding fragment ion peaks devoid of neutral molecules such as C2H5N, C3H7N, or C4H8N. Notably, compounds featuring a cyclopropyl substituent group at the N-1 position typically exhibited characteristic fragments resulting from the loss of the cyclopropyl radical (⋅C3H5). Moreover, substituents at the N-1 and C-8 positions, when linked to form a six-membered carbocyclic ring, were prone to cleavage, releasing the neutral C3H6 molecule. Quinolone antibiotics share structural similarities in their parent nuclei, leading to partially similar cleavage pathways. Nevertheless, distinct cleavage patterns emerge due to variations in functional groups. According to the difference of mass spectrometry cleavage patterns, it can provide an identification basis for the measured detection of antibiotics.

Comprehensive profiling of the chemical constituents in Dayuanyin decoction using UPLC-QTOF-MS combined with molecular networking

Context Dayuanyin decoction is a traditional Chinese medicine formulation that is commonly used in modern clinical practice to treat viral infections such as viral pneumonia, viral fever, influenza, and hepatitis. Although the usage rate of Dayuanyin decoction is gradually increasing in clinical practice, its pharmacological constituents are still unclear. Objective This study comprehensively characterized the chemical constituents in Dayuanyin decoction using ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) and molecular networking. Materials and methods The overall strategy involved retrieving structural information, such as fragment ions and precursor ion masses, from self-built databases to identify the target constituents of the Dayuanyin decoction extract. The identification of non-targeted constituents was achieved by analyzing different categories, fragment pathways, mass spectrometry data, and the relationships between clusters of structures in molecular networking. Unannotated constituents were inferred from secondary mass spectrometry similarity and molecular weight differences and annotated constituents in the same constituent cluster. A few predicted constituents were selected and validated by comparing them to reference standards under identical mass spectrometry conditions. Results This study preliminarily identified 216 constituents, including flavonoids, amino acids, alkaloids, triterpenes, steroidal saponins, phenylpropanoids, and other constituents. Conclusions This integrated strategy using UPLC-QTOF-MS and molecular networking lays the foundation for clinical research on pharmacologically active substances in Dayuanyin decoction and could be popularized for the comprehensive profiling of chemical constituents of other traditional Chinese medicines.

Estimating errors in vehicle secondary aerosol production factors due to oxidation flow reactor response time

Abstract. Oxidation flow reactors used in secondary aerosol research do not immediately respond to changes in the inlet concentration of precursor gases because of their broad transfer functions. This is an issue when measuring the vehicular secondary aerosol formation in transient driving cycles because the secondary aerosol measured at the oxidation flow reactor outlet does not correspond to the rapid changes in the exhaust flow rate. Since the secondary aerosol production factor is determined by multiplying the secondary aerosol mass by the exhaust flow rate, the misalignment between the two leads to incorrect production factors. This study evaluates the extent of the error in production factors due to oxidation flow reactor transfer functions using synthetic and semi-synthetic exhaust emission data. It was found that the transfer-function-related error could be eliminated when only the total production factor of the full cycle was measured using constant-volume sampling. For shorter segments within a driving cycle, a narrower transfer function led to a smaller error. Even with a narrow transfer function, the oxidation flow reactor could report production factors that were more than 10 times higher than the reference production factors if the segment duration was too short.

Development and validation of rapid screening of 192 veterinary drug residues in aquatic products using HPLC-HRMS coupled with QuEChERS

The presence of veterinary drug residues in aquatic products represents a significant challenge to food safety. The current detection methods, limited in both scope and sensitivity, underscore the urgent need for more advanced techniques. This research introduces a swift and potent screening technique using high-performance liquid chromatography-high-resolution mass spectrometry (HPLC-HRMS) and a refined QuEChERS protocol, allowing simultaneous qualitative and semi-quantitative analysis of 192 residues. A comprehensive database, employing full scan mode and data-dependent secondary mass spectroscopy, enhances screening accuracy. The method involves efficient extraction using 90% acetonitrile, dehydration with Na2SO4, and acetic acid, followed by cleanup using dispersive solid-phase extract sorbent primary secondary amine. It is suitable for samples with varying fat content, offering detection limits ranging from 0.5 to 10 μg/kg, high recovery rates (60–120%), and low relative standard deviations (<20%). Practical application has validated its effectiveness for multi-residue screening, marking a significant advancement in food safety evaluation.