MICROCHEMICAL JOURNAL
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2021
·
IF 4.821
Guo-Sheng Li,Min-Hua Wang,Xing Fan,Xueming Dong,Xian-Yong Wei,Bo Chen,Jiao-Fei Wang
To provide basic knowledge for coal conversion, twenty one coal-related model compounds (MCs) were analyzed using a tandem Orbitrap mass spectrometer (MS). Higher-energy collisional dissociation (HCD), a method of Orbitrap MS, unraveled the detailed fragmentation pathways and de-alkylation behaviors of the ionized MCs under collision energies from 10 to 80 eV. Chemical bond breaking, hydrogen loss, rearrangement reaction, and elimination of neutral fragments were discussed to elucidate clear fragmentation pathways. For arenes without alkyl chains, a higher energy threshold of fragmentation was observed with the increasing of aromatic ring due to a higher conjugate effect of condensed aromatic structure. The existence of alkyl chains decreased the threshold of fragmentation because of the electron-donating effect of alkyl chains. Heteroatom-containing aromatic compounds, a series of important species in coal, showed a diversified fragmentation patterns due to a low bond dissociation energy and a weak conjugate effect compared with arenes. Fragmentation pathways and de-alkylation behaviors of coal-related MCs will contribute to building monitoring methods for coal and its derivatives conversions in chemical industry.
研究领域:
化学
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能源科学
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分析化学
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DOI
高影响因子
REVIEW OF SCIENTIFIC INSTRUMENTS
·
2016
·Vol. 87
·期 10
·
IF 1.336
Huo Xinming,Tang Fei,Zhang Xiaohua,Chen Jin,Zhang Yan,Guo Cheng’an,Wang Xiaohao
The rectilinear ion trap (RIT) has gradually become one of the preferred mass analyzers for portable mass spectrometers because of its simple configuration. In order to enhance the performance, including sensitivity, quantitation capability, throughput, and resolution, a novel RIT mass spectrometer with dual pressure chambers was designed and characterized. The studied system constituted a quadrupole linear ion trap (QLIT) in the first chamber and a RIT in the second chamber. Two control modes are hereby proposed: Storage Quadrupole Linear Ion Trap-Rectilinear Ion Trap (SQLIT-RIT) mode, in which the QLIT was used at high pressure for ion storage and isolation, and the RIT was used for analysis; and Analysis Quadrupole Linear Ion Trap-Rectilinear Ion Trap (AQLIT-RIT) mode, in which the QLIT was used for ion storage and cooling. Subsequently, synchronous scanning and analysis were carried out by QLIT and RIT. In SQLIT-RIT mode, signal intensity was improved by a factor of 30; the limit of quantitation was reduced more than tenfold to 50 ng mL −1 , and an optimal duty cycle of 96.4% was achieved. In AQLIT-RIT mode, the number of ions coexisting in the RIT was reduced, which weakened the space-charge effect and reduced the mass shift. Furthermore, the mass resolution was enhanced by a factor of 3. The results indicate that the novel control modes achieve satisfactory performance without adding any system complexity, which provides a viable pathway to guarantee good analytical performance in miniaturization of the mass spectrometer.
研究领域:
分析化学
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仪器科学与技术
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DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2025
·
IF 4
Liangming Luo,Chenlu Wang,Yong Wu,Hao Zhang,Feng Xu,Keqi Tang,Jiancheng Yu
Screening for illicit drugs in urban wastewater provides an important tool for monitoring and tracing the use of illicit drugs, increasingly leaning towards on-site detection of wastewater samples. This study established an on-site detection method for three illicit drugs—ketamine (KET), cocaine (COC), and codeine(COD)—in wastewater, based on an automatic solid-phase extraction device and a portable mass spectrometer. After enrichment and purification of samples using HLB solid-phase extraction cartridges, a portable mass spectrometer equipped with a sub-atmospheric pressure chemical ionization source was used for quantitative analysis of target drugs in selected ion monitoring mode. The solid-phase extraction conditions and parameters of the subatmospheric pressure chemical ionization source were studied and optimized, and the method was evaluated. The results showed that ketamine, cocaine, and codeine exhibited good linearity (R² > 0.99) within the concentration range of 1∼40 μg/L, with limits of detection (LODs) of 0.30∼0.42 μg/L. The recoveries were between 70.52% and 118.56%. This method can be used for on-site rapid screening of illicit drugs in wastewater. Compared to traditional laboratory analysis methods, it reduces sample transportation and storage costs, shortens the detection cycle. Finally, evaluations based on GAPI, AGREE, and BAGI indicators indicated that this method could serve as a green alternative for the screening of illicit drugs in wastewater.
研究领域:
环境科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2024
·
IF 3.1
Shiqi Wang,Jiahui Wu,Qingcheng Wang,Yunfeng Zhang,Hong Yuan,Jianding Wang,Yonghui Wu,Yaxi Xu,Na Ji,Bin Quan,Haixing Wang,Qing Shen
A miniature mass spectrometer (mMS) based point-of-care testing (POCT) method was evaluated for on-site detecting the hypertension drugs, amlodipine and benazepril . The instrument parameters, including voltage, ISO1, ISO2, and CID , were optimized, under which the target compounds could be well detected in MS 2 . When these two drugs were injected simultaneously, the mutual ionization inhibition and mutual reduction between amlodipine and benazepril were evaluated. This phenomenon was severe on the precursor ions but had a small impact on the product ions, thus making this POCT method suitable for analysis using product ions. Finally, the method was validated and applied. The blood samples from patients were tested one hour after oral administration of the drugs (20 mg), and the benazepril was quantitatively analyzed using a standard curve, with detected concentrations ranging from 190.6 to 210 μg L −1 and a relative standard deviation (RSD) of 8.6 %. In summary, amlodipine has low sensitivity and can only be detected at higher concentrations, while benazepril has high sensitivity, good linearity, and even meets semi-quantitative requirements. The research results of this study are of great clinical significance for monitoring blood drug concentrations during hypertension medication, predicting drug efficacy , and customizing individualized medication plans.
研究领域:
分析化学
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临床医学
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药理学
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产品关联
DOI
PubMed
高影响因子
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
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2012
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IF 1.207
Changjuan Guo,Zhongyao Jiang,Chunguang Xie,Hui Zhu,Wei Gao,Zhengxu Huang,Ping Cheng,Zhong Fu,Zhen Zhou
According to the demand of home-made spectrometer, a radio frequency (RF) signal driver was developed. This RF signal driver is composed of signal generating circuit, signal amplification circuit and power output circuit, to drive the radio frequency quadrupole (RFQ). The designed RFQ is used to transfer ions generated in atmospheric pressure ion source to a home-made desktop orthogonal-injection time-of-flight mass analyzer. This signal driver is divided into low-frequency part and high-frequency part to support RFQ transferring ions of larger values (i.e., m / z =100–600) and smaller values (i.e., m / z =20–100) respectively. The low-frequency part of the RF signal driver can provide RF signals with resonance frequency of 1.43 MHz, peak to peak voltage V p–p of 0–1080 V, and the high-frequency part can provide RF signals with resonance frequency of 2.05 MHz, peak to peak voltage V p–p of 0–520 V. With the radio frequency signal driver described in this paper, ions in the range m/z 20–600 can be transmitted efficiently by RFQ.
研究领域:
分析化学
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质谱技术
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产品关联
DOI
高影响因子
FOOD AND CHEMICAL TOXICOLOGY
·
2023
·
IF 4.3
Yuanhao Zhou,Jiawen Ai,Lingli Cai,Yiyong Yan,BingZhi Wang,Hongzhen Ma,Quan Yu,Jianhua Zhou,Xinming Huo
Excessive pesticide use poses a significant threat to food safety. Rapid on-site detection of multi-target pesticide residues in vegetables is crucial due to their widespread distribution and limited shelf life. In this study, a rapid on-site screening method for pesticide residues on vegetable surfaces was developed by employing a miniature mass spectrometer . A direct pretreatment method involves placing vegetables and elution solution into a customized flexible ziplock bag, allowing thorough mixing, washing, and filtration. This process effectively removes pesticide residues from vegetable surfaces with minimal organic solvent usage and can be completed within 2 min. Moreover, this study introduced a deep learning algorithm based on a one-dimensional convolutional neural network, coupled with a feature database, to autonomously discriminate detection outcomes. By combining full scan MS and tandem MS analysis methods, the proposed method achieved a qualitative recognition accuracy of 99.62%. Following the qualitative discrimination stage, the target pesticide residue and internal standard can be simultaneously isolated and fragmented in the ion trap, thus enabling on-site quantitative analysis and warning. This method achieved a quantitative detection limit of 10 μg/kg for carbendazim in cowpea. These results demonstrate the feasibility of the proposed analytical system and strategy in food safety applications.
研究领域:
食品安全
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分析化学
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产品关联
DOI
PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2023
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IF 7.4
Ningxi Li,Zhijun Cai,Zhongyao Zhang,Wenpeng Zhang,Xiaoxiao Ma,Xiaoyu Zhou,Zheng Ouyang
In the past decade, mass spectrometry (MS) has been widely used for a broad range of on-site applications. This is largely attributed to the rapid advancement of technologies, such as ambient ionization and mass spectrometer miniaturization. Here, we report the development of the temperature-tuning desorption ionization (TTDI) method for versatile on-site applications using a miniature MS system. A unique feature of TTDI is its dynamic temperature range applicable from 30 to 800 °C, which enables optimal desorption ionization applied for chemical and biological compounds through tuning the temperature at the sampling spot. The versatility of TTDI has been demonstrated through on-site MS analysis of a variety of samples, such as explosives on surfaces, drugs of abuse in biofluids, and screening biomarkers in tissues.
研究领域:
分析化学
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质谱技术
·
生物医学
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产品关联
DOI
PubMed
高影响因子
ACS Omega
·
2024
·
IF 3.7
Dongchen Zhou,Jiahui Wu,Qingcheng Wang,Yong Liu,Shiqi Wang,Weizong Zhang,Yunfeng Zhang,Huizhi Ding,Yunfei Shao,Haixing Wang,Qing Shen
Precise administration of tirofiban must be carefully considered to achieve the best treatment efficacy and maximize safety for patients. Herein, a paper spray ionization (PSI) linear ion trap (LIT) portable mass spectrometer (pMS) based point-of-care testing (POCT) technique was developed for on-site sampling, clinical testing, and immediate analysis of tirofiban blood drug concentrations. The results showed that tirofiban formed a significant and stable parent ion peak at m/z 441.3 by MS1 full scan in positive ion mode, which fragmented into product ions at m/z 395.4, m/z 321.3, m/z 276.3, and m/z 260.3 through collision-induced dissociation (CID) in MS/MS. To improve ion response, the parameters were optimized to the voltages of ionization 3600 V, ion isolation 1 (ISO1) 8 V, ion isolation 2 (ISO2) 2 V, and collision-induced dissociation (CID) 3 V. This method was validated, and the limit of detection (LOD) and limit of quantification (LOQ) were found to be 10.1 and 33.7 μg·L–1, respectively. For precision, it had the relative standard deviation (RSD) of interday precision of 4.8 to 6.7% and the RSD of intraday precision of 7.8 to 8.3%. The recovery of the method ranged from 87.5 to 93.4%. Although matrix effects in blood samples had some inhibitory effects on the target signal formation, the method compensated for part of the matrix effects by establishing a matrix-matched calibration curve, which exhibited good linearity with a R2 of 0.9987. Finally, the method was applied to the detection of tirofiban in clinically collected blood samples. Out of 12 samples, ten had tirofiban concentrations between 35.4 and 72.1 μg·L–1 while the remaining two were below the LOQ. The method needs further optimization and validation in the future to improve its sensitivity and stability.
研究领域:
分析化学
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临床医学
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心血管病学
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产品关联
DOI
PubMed
高影响因子
Green Analytical Chemistry
·
2025
·
IF 6.2
Shuang Sun,Yijie Fu,Xinming Huo,Mi Luo,Quan Yu
Analysis of psychotropic drugs in blood is a suitable method to assess the effectiveness of patient treatment and the safety of drug dosage. Direct analysis of whole blood using mass spectrometry (MS) faces challenges due to the complex matrix and components in the sample. In this study, we developed a practical analytical strategy based on a miniature MS instrument for on-site detection of psychotropic drugs in blood. In particular, samples were first treated through a simplified and optimized extraction process and then analyzed by a miniature MS mounted with a capillary self-aspirating electrospray ionization source. This method reduced the consumption of samples and reagents while offering high accuracy and sensitivity, with a limit of detection as low as 0.1 ng/mL. We subsequently implemented the detection of venlafaxine and O-desmethyl venlafaxine in some whole blood samples. The results showed good agreement with those obtained by HPLC-MS, demonstrating the accuracy and practicality of the proposed analytical protocol.
研究领域:
分析化学
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生物医学
·
药理学
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产品关联
DOI
高影响因子
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
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2015
·
IF 0.754
Fu-Xing XU,Qian-Kun DANG,Yin-Juan CHEN,Kai YANG,Qiang WANG,Bin CHEN,Yuan-Yuan WANG,Chuan-Fan DING
A fast mass analysis method using digital ion trap technology was reported. The mass analysis was realized by scanning the frequency of digital RF voltage and dipole ion resonance voltage during ion injection period without the conventional ion cooling, ion resonance ejection or ion cleaning process. It can decrease about three fourth of traditional analysis time using ion trap mass spectrometry. The ion signal was optimized through the modification of frequency scanning rate, ion gate voltage and other experimental parameters. For example, an optimal mass spectroscopy of reserpine ( m / z 609) and arginine ( m / z 174) were obtained when the ion gate voltage was 9 V and the digital RF frequency was scanned from 1 MHz to 400 kHz at rate of 2385 Th s −1 . The results indicated that the obtained mass spectra were in very good agreement with conventional analytical method using ion trap mass analyzer.
研究领域:
分析化学
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药物分析
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质谱技术
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产品关联
DOI
高影响因子
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
·
2015
·Vol. 22
·期 24
·19747-19755
·
IF 2.828
Liu Yuan,Zhang Caixiang,Liao Xiaoping,Luo Yinwen,Wu Sisi,Wang Jianwei
Organophosphorus pesticides (OPPs), a kind of widely used pesticides, are currently attracting great attention due to their adverse effects on human central nervous systems, particularly in children. Although the hydrolysis behavior of OPPs has been studied well, its hydrolysis mechanism remained controversial, especially at various pH conditions, partly due to their relatively complex structures and abundant moieties that were prone to be attacked by nucleophiles. The Q-Exactive mass spectrometer, part of those hybrid high-resolution mass spectrometers (HRMS), was used to determine hydrolysis products of methyl parathion (MP), a kind of OPPs in situ buffer aqueous solution with pH ranging from 1 to 13 in this study. Most of the complex hydrolysis products of MP were identified due to the high sensitivity and accuracy of HRMS. The results demonstrated that the hydrolysis rate and pathway of MP were strong pH dependent. With the increase of pH, the hydrolysis rate of MP increased, and two different reaction mechanisms were identified: S N
2 @P pathway dominated the hydrolysis process at high pH (e.g., pH ≥ 11) while S N
2 @C was the main behavior at low pH (e.g., pH ≤ 9). This study helps understand the hydrolysis mechanism of OPPs at various pH and extends the use of Q-Exactive mass spectrometry in identifying organic pollutants and their degradation products in environmental matrices.
研究领域:
环境科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF ANALYTICAL CHEMISTRY
·
2022
·Vol. 77
·期 6
·733-747
·
IF 1.237
Shi Qiaocui,Fu Jiayu,Chen Jinyuan,Wang Jiye,Luo Yongci,Xie Weihong
Abstract Herein, a new method for the simultaneous rapid on-site detection of various amphetamine (AM)-type drugs in human urine and hair samples is proposed using portable pulsed direct current electrospray ionization mass spectrometer. Traditional chromatographic separation and complex pretreatment processes are omitted in the entire analysis, which reduces the amount of time required. Additionally, only about 3 µL of a sample was dipped by a disposable probe and ionized by special ionization methods, and the overall analysis time by mass spectrometry was only a few seconds. The detection limits of five AMs in the urine sample and four AMs in the hair sample are in accordance with the international authoritative standards. Furthermore, the method also exhibits satisfactory accuracy (between 95.1–104.7%), linearity ( R 2 = 0.999) and precision (RSD within 10%) in their respective linear ranges. Therefore, the method can be used for the on-site rapid detection of trace AMs in biological samples.
研究领域:
分析化学
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法医学
·
毒理学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）