ENVIRONMENTAL SCIENCE & TECHNOLOGY
·
2024
·
IF 10.8
Shuping Zheng,Jingsheng Wang,Kai Luo,Xiaoxia Gu,Guanxiang Yuan,Meiting Wei,Yao Yao,Yanbin Zhao,Jiayin Dai,Kun Zhang
Organic light-emitting materials (OLEMs) are emerging contaminants in the environment and have been detected in various environment samples. However, limited information is available regarding their contamination within the human body. Here, we developed a novel QuEChERS (quick, easy, cheap, effective, rugged, and safe) method coupled with triple quadrupole/high-resolution mass spectrometry to determine OLEMs in breast milk samples, employing both target and suspect screening strategies. Our analysis uncovered the presence of seven out of the 39 targeted OLEMs in breast milk samples, comprising five liquid crystal monomers and two OLEMs commonly used in organic light-emitting diode displays. The cumulative concentrations of the seven OLEMs in each breast milk sample ranged from ND to 1.67 × 103 ng/g lipid weight, with a mean and median concentration of 78.76 and 0.71 ng/g lipid weight, respectively, which were higher compared to that of typical organic pollutants such as polychlorinated biphenyls and polybrominated diphenyl ethers. We calculated the estimated daily intake (EDI) rates of OLEMs for infants aged 0–12 months, and the mean EDI rates during lactation were estimated to range from 30.37 to 54.89 ng/kg bw/day. Employing a suspect screening approach, we additionally identified 66 potential OLEMs, and two of them, cholesteryl hydrogen phthalate and cholesteryl benzoate, were further confirmed using pure reference standards. These two substances belong to cholesteric liquid crystal materials and raise concerns about potential endocrine-disrupting effects, as indicated by in silico predictive models. Overall, our present study established a robust method for the identification of OLEMs in breast milk samples, shedding light on their presence in the human body. These findings indicate human exposure to OLEMs that should be further investigated, including their health risks.
研究领域:
环境科学
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毒理学
·
分析化学
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DOI
PubMed
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
·
2025
·
IF 8
Langjie Ye,Guanyong Su
The current scope of environmental monitoring studies primarily focuses on organophosphate triesters (OPTEs), neglecting their potential transformation products, i.e. organophosphate diesters (OPDEs). Furthermore, there is a notable absence of comprehensive screening strategies for all potential OPDEs in environmental samples. Herein, we pioneered an effective and precise screening strategy, incorporating target, suspect, and functional group-dependent nontarget screening, founded on ultrahigh performance liquid chromatography-Q Exactive hybrid quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS), and this strategy was applied to analyze n = 74 sediment samples, comprising 23 surface sediment samples and 51 sediment core samples, collected from Taihu Lake in eastern China during 2019. Through this analysis, we successfully identified 29 OPDEs, marking the first documentation of their presence in this region. Additionally, our study yielded noteworthy insights: 1) most OPDEs exhibited no significant correlations with their parent compounds, indicating their intricate origins within Taihu Lake; 2) two newly identified substances, distearyl phosphate (DSP) and diheptadecyl phosphate (DHP), were widespread and likely introduced through various rivers, potentially originating from chemical industry facilities or manufacturers situated along the rivers in the Taihu Lake basin; 3) vertical analysis revealed the pervasive presence of long-chain alkyl OPDEs in sediment cores from Taihu Lake, consistent with their high hydrophobicity. Collectively, this study has introduced an effective screening strategy successfully applied to comprehensively assess OPDEs in Taihu Lake sediments. This methodology holds promising potential for extension to various other environmental matrices or samples.
研究领域:
环境监测
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分析化学
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环境科学
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质谱分析
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色谱分析
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2022
·
IF 9.231
Qingwen Huang,Wenbo Guo,Xiuying Zhao,Haojie Cao,Kai Fan,Jiajia Meng,Dongxia Nie,Yongjiang Wu,Zheng Han
Due to the challenge of hundreds of potential mycotoxins that may be present in cereals, a rapid and reliable ultra-high performance liquid chromatography coupled with quadrupole-time-of-flight tandem mass spectrometry (UHPLC-Q-TOF MS) technique was developed for universal screening of 200 mycotoxins (prototype, emerging and related derivatives) in cereals. With satisfactory sensitivity of accurate mass full-spectrum acquisition, it is feasible to preliminarily identify tentative untargeted mycotoxins with a large range of polarity without reference materials. The current screening method was also validated by the determination of 33 typical mycotoxins, and the screening detection limits in the range of 0.5–100 μg kg −1 were established in cereals. In total, 138 stored samples were contaminated by 46 mycotoxins and their metabolites, some of which were firstly reported in cereals, posing emerging potential health risks to humans and animals. Furthermore, the accumulation, transformation and degradation mechanisms of typical mycotoxins in cereals were investigated under real storage conditions.
研究领域:
食品安全
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分析化学
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毒理学
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产品关联
DOI
PubMed
高影响因子
LUNG CANCER
·
2021
·
IF 5.705
Yingchang Zou,Yu Wang,Zaile Jiang,Yuan Zhou,Ying Chen,Yanjie Hu,Guobao Jiang,Duan Xie
Objectives Lung cancer is continuously the leading cause of cancer related death, resulting from the lack of specific symptoms at early stage. A large-scale screening method may be the key point to find asymptomatic patients, leading to the reduction of mortality. Methods An alternative method combining breath test and a machine learning algorithm is proposed. 236 breath samples were analyzed by TD-GCMS. Breath profile of each sample is composed of 308 features extracted from chromatogram. Gradient boost decision trees algorithm was employed to recognize lung cancer patients. Bootstrap is performed to simulate real diagnostic practice, with which we evaluated the confidence of our methods. Results An accuracy of 85 % is shown in 6-fold cross validations. In statistical bootstrap, 72 % samples are marked as “confident”, and the accuracy of confident samples is 93 % throughout the cross validations. Conclusion We have proposed such a non-invasive, accurate and confident method that might contribute to large-scale screening of lung cancer. As a consequence, more asymptomatic patients with early lung cancer may be detected.
研究领域:
医学
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肿瘤学
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生物信息学
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产品关联
DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2022
·Vol. 415
·期 3
·493-507
·
IF 4.478
Li Zhuoya,Huang Xinyi,Wang Xuan,Ren Jianwei,Xu Buyi,Luo Chunying,Wang Yanjun,Wang Lian,Harada Kouji H.,Zou Xiaoli
A rapid and sensitive high-performance liquid chromatography–high-resolution orbitrap mass spectrometry method was developed for the simultaneous screening of 354 organic poisons and metabolites in blood and urine, including drugs, medications, pesticides, rodenticides, veterinary drugs, alkaloids, and mycotoxins with a multi-toxicant chromatography-mass spectrometry information library. The method and library showed good prospects in clinical poisoning screening and forensic toxicological identification. Blood and urine samples were extracted successively with ethyl acetate in acidic and alkaline conditions; then, the extract was blown to nearly dry by nitrogen gas and redissolved with methanol-aqueous solution (v:v, 50:50), and the dissolved solution was analyzed by LC-MS/MS after filtering. Precursor ions’ m / z was set for identification, retention time, fragment ions, and isotopic pattern which were used for confirmation. No interference peaks were found in the blank samples, showing good specificity. The LODs of toxicants in urine and blood were 1.00×10 −3 –50.0 ng/mL and 2.07×10 −3 –50.0 ng/mL, respectively, while the LOQs were 3.30×10 −3 –1.67×10 2 ng/mL and 6.91×10 −3 –1.67×10 2 ng/mL. The intra-day precision and inter-day precision of urine samples were 2.31–9.13% and 4.75–12.3%, respectively, which were 1.92–10.8% and 2.01–12.1% in blood samples. The established method was applied to analyze 9 cases of clinical poisoning patients, and bromadiolone, carbofuran, and amanitins were detected, respectively. A total of 382 biospecimens from drug abusers were analyzed with the proposed method, which indicated that some drugs were detected in 62 cases, mainly including methamphetamine, heroin, and MDMA. The results were consistent with the information from traditional liquid chromatography-triple quadrupole mass spectrometry. Graphical abstract
研究领域:
临床医学
·
法医学
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DOI
PubMed
高影响因子
Alexandria Engineering Journal
·
2025
·
IF 6.8
Chuanbao Cui,Ming Xu,Qinglong Guan,Xuejian Wang,Guangcheng Yang,Zhen Zhang,Jingjing Du
This study presents a novel electrochemical immunosensor for the detection of alpha-fetoprotein (AFP) based on a toluidine blue-gold-Fe 3 O 4 -reduced graphene oxide (TB-Au-Fe 3 O 4 -rGO) nanocomposite. The multifunctionalized graphene platform was synthesized and characterized using SEM, TEM, XRD, and FTIR spectroscopy. Electrochemical characterization revealed enhanced electron transfer kinetics, with the TB-Au-Fe 3 O 4 -rGO electrode exhibiting the lowest charge transfer resistance of 43 Ω. Optimization of antibody immobilization and assay conditions resulted in a sensitive and selective immunosensor. The sensor showed a direct correlation with AFP levels ranging from 0.1 to 500 ng/mL, and was able to detect concentrations as low as 0.03 ng/mL. Selectivity studies showed minimal interference from common serum proteins, even at 100-fold higher concentrations. The immunosensor showed consistent results with a relative standard deviation of 3.8 % from 5 replicates, and retained more than 95 % of its original signal after being stored at 4°C for 30 days. Analysis of clinical serum samples showed excellent agreement with ELISA results (R 2 = 0.998) and recovery rates between 96.5 % and 103.8 % for spiked samples. The rapid response time of 35 seconds and simple operation make this platform promising for point-of-care liver cancer screening. This work demonstrates the potential of multifunctionalized graphene nanocomposites for enhancing the performance of electrochemical immunosensors in clinical diagnostics.
研究领域:
医学诊断
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材料科学
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生物化学
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产品关联
DOI
高影响因子
JOURNAL OF ANALYTICAL CHEMISTRY
·
2022
·Vol. 77
·期 3
·361-368
·
IF 1.237
Xue Liming,Xu Jiale,Feng Chao,Lu Dasheng,Zhou Zhijun
Abstract It is a challenge to perform target screening of metabolites on a large scale in metabolomics study using gas chromatography with mass spectrometry ( GC-MS ). Some metabolites can hardly be detected and identified in biosamples due to their low MS response or poor specificity. Moreover, synthesis and degradation of derivatized metabolites in samples made it difficult to achieve fine method stability. Our method screens 475 metabolites in a single run using GC-MS/MS in MRM mode, and both internal standard and quality control-based normalization strategies were used to correct the peak intensity. A total of 91 and 161 metabolites were detected in plasma and urine, respectively. The method was validated to have fine linearity range and intra-day and inter-day stability. The method was applied to a pilot study, and this study investigated the metabolic perturbation in rats after fluorochloridone ( FLC ) administration. 18 metabolites exhibited statistical significance in rat urine, and they were confirmed to be associated with FLC treatment, where the upregulation of glucose, lactose, and galactose is potentially linked to oxidative stress reaction. This study has proved its value in large-scale detection of metabolites in biosamples using GC-MS/MS with high sensitivity, specificity, and stability. We hope that our study can promote the GC-MS-based metabolomics studies.
研究领域:
分析化学
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代谢组学
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生物医学
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产品关联
DOI
高影响因子
Food Analytical Methods
·
2023
·Vol. 16
·期 3
·633-649
·
IF 2.9
Li Fan,Wang Zhanhua,Zhu Bingqi,Xu Xiaoying,Liu Zhu
Anesthetics are widely applied in cultivation and transportation of aquatic products to reduce the metabolism of fish and avoid some stress reactions. The overdose of using anesthetics or the occurrence of their residues in the aquatic products may negatively affect human health after consumption. A rapid screening procedure and a new analytical method for the simultaneous determination of 14 anesthetics was established in this study. The compounds were extracted from fish and shrimp matrices by sodium acetate buffer solution, cleaned up via solid-phase extraction, and then were analyzed using an ultrahigh-performance liquid chromatography system coupled with a tandem quadrupole-time-of-flight mass spectrometer (UPLC-Q-TOF–MS) in a positive-ion mode. Methodological verification analyses, including linearity, precision, recovery, limit of detection (LOD), and limit of quantification (LOQ), were conducted to validate the method. The correlation coefficient of the calibration curves of each anesthetic exceeded 0.99. The average recoveries of this analysis method varied from 72.36 to 111.27% with relative standard deviations less than 5%. The detection limit of anesthetics reached 0.3–0.7 μg/kg. Agilent Mass Hunter Personal Compound Database Library (PCDL) Manager was used to establish a database of 14 anesthetics and 8 isotope internal standards, which enabled a quick screening and analysis without standard substances. The results of the spiked blank samples demonstrated reliability of the screening method with mass deviations less than 5 ppm and the scores determined by relative molecular mass, retention time, isotope ratio, and distribution all greater than 85. In addition, according to the fragmentation information of mass spectrometry, the fragmentation rules of some anesthetics were summarized. This method was validated with reliable results in quantitative and qualitative analysis and could be used as regulatory measures for anesthetics in aquatic products.
研究领域:
食品安全
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分析化学
·
环境科学
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产品关联
DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2023
·
IF 4.8
Yongyin Zhou,Hui Li,Hongjun Luo,Zhexuan Lin,Wenhong Luo
An untargeted UHPLC-MS method was developed for the preliminary screening of differential amino acids between two mouse brain tissue samples, and a targeted UHPLC-MS/MS method was developed for the quantitative determination of amino acids in mouse brain tissue samples. The sample processing procedure, chromatographic conditions and MS parameters were optimized. The mouse brain tissue samples were homogenized with HCl solution (0.01 mol/L), protein precipitated with methanol and centrifugation. For the untargeted method, one sample was derivatized with butanol (D0) and another sample was derivatized with deuterated butanol (D9), then combined together and analyzed with UHPLC-MS. Chromatographic peak area ratio for each amino acid was then used for differential analyses between two samples. Results showed good accuracy with standard spiked samples (83.4–113.0 %). For the targeted quantitative method, the sample supernatants were dried and residues were derivatized with butanol (D0). Internal standards of amino acids derivatized with deuterated butanol (D9) were added before analyzed with UHPLC-MS/MS. The intra- and inter-day precisions were in the intervals of 0.5–8.1 % and 0.3–9.1 %. The LOD and the LOQ were ranged from 0.03 × 10 −3 to 0.92 × 10 −3 µg mL −1 and 0.08 × 10 −3 to 3.08 × 10 −3 µg mL −1 , respectively. Spiked recoveries were from 96.8 % to 111.7 %. Both methods were applied to analyze amino acids in brain tissue of C57BL/6 mice treated and untreated with piperine and the result showed that the levels of glutamic acid, aspartic acid, histidine, asparagine, γ-aminobutyric acid, alanine, leucine and isoleucine significantly decreased in the piperine treated group comparing with the untreated group.
研究领域:
分析化学
·
神经生物学
·
药理学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2019
·
IF 5.399
Yisheng Chen,Caihong Huang,Bernhard Hellmann,Zhengyu Jin,Xueming Xu,Guosheng Xiao
This study presented a HPTLC platformed luminescent biosensor system for screening captan residue. First, the potential bio-effects of layers materials on the detectability of a luminescent bacteria Photobacterium phosphoreum (ATCC 11040) as the sensor cell were assessed. From comparison, it was noteworthy that the combination of sensor cells with normal silica gel layer exclusively gave outstanding detectability (<10 ng/zone). On this basis, HPTLC mediated separation and biosensing was further optimized. Then, the obtained graphic results were digitally quantified via software processing, offering satisfactory selectivity, linearity ( R 2 = 0.9901 within 10–80 ng/zone) and sensitivity (0.5 mg/kg against MRLs ≥ 6 mg/kg). Additionally, the performance of the established method was validated with different fruits (recover rates 75–96%, RSD < 11.8%). Meanwhile, it was demonstrated that detectability of this hybrid system would be tuneable by altering the combination of bacteria strains and layer materials, which was meaningful to strengthen the usability of microbial biosensors.
研究领域:
分析化学
·
环境科学
·
食品科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOSENSORS & BIOELECTRONICS
·
2021
·
IF 10.618
Hongmei Li,Qing Wang,Jun Tang,Ningning Gao,Xiaxia Yue,FuRu Zhong,Xiaoyi Lv,Jihong Fu,Tao Wang,Cailing Ma
As a rapid and non-destructive biological serum detection method, SERS technology was widely used in the screening and medical diagnosis of various diseases by combining the analysis of serum SERS spectrum and multivariate statistical algorithm. Because of the high complexity of serum components and the variability of SERS spectra, which often resulted in the phenomenon that the SERS spectrum of the same biological serum was significantly different due to the different test conditions. In this experiment, through the dilution treatment of the serum and the systematic test of the serum of all concentration gradients with lasers of wavelength of 785, 633 and 532 nm, the most suitable conditions for detecting the serum were investigated. The experimental results showed that only when the serum is diluted to low concentration (10 ppm), the SERS spectrum with high reproducibility and stability could be obtained, furthermore, the low concentration serum had weak tolerance to laser, and 532 nm laser was not suitable for serum detection. In this paper, a set of test scheme for obtaining highly stable serum SERS spectra was established by using high-performance gold nanoparticles (Au NPs) as the active substrate of SERS. Through comparative analysis of SERS spectrum of serum of normal people and cervical cancer, the reliability of the established low-concentration serum test program was verified, as well as its great potential advantages in disease screening and diagnosis.
研究领域:
分析化学
·
生物医学
·
光谱学
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产品关联
DOI
PubMed
高影响因子
ADVANCED FUNCTIONAL MATERIALS
·
2024
·
IF 18.5
Jiao Wu,Yingting Wei,Chunjing Shi,Yida Huang,Zubei Hong,Wanshan Liu,Liying Gu,Ruimin Wang,Yuling Li,Jing Cao,Wen Di,Xumin Hou,Jian Liu,Kun Qian,Lihua Qiu
Engineering of materials is crucial for the advanced detection of bio-molecules, particularly in laser desorption/ionization mass spectrometry (LDI-MS). However, effective screening with enhanced LDI performance remains challenging due to the lack of engineered substrate materials. Herein, thermally engineered ferric yolk-shells are designed for enhanced metabolic screening of cervical cancer (CC) using vaginal secretion. A facile thermal engineering strategy is developed to prepare amorphous ferric yolk-shells with integrated properties. Notably, the amorphous mesoporous yolk-shells offer signal amplification up to orders of magnitude in LDI-MS for standard metabolites and diverse bio-samples. High-performance CC screening (including identification of human papillomavirus (HPV) infection, high-grade squamous intraepithelial lesion (HSIL), and CC) is achieved, with the areas under the curve of 0.842–0.963. Finally, a metabolic panel for CC screening, covering the stages of HPV, HSIL, and CC, is established. This work elucidates the LDI-MS mechanism for enhanced metabolic detection and highlights potential applications in cancer screening.
研究领域:
材料科学
·
癌症筛查
·
质谱分析
·
生物医学工程
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）