1.Non-targeted screening and prioritization of emerging pollutants in sewage using direct injection high-resolution mass spectrometry
Chao ZHANG ; Chang WANG ; Xiangru YI ; Jingjing SONG ; Li YANG ; Tao WANG ; ZhiWen WEI ; Keming YUN ; Haiyan CUI ; Fangxing YANG ; Meng HU
Chinese Journal of Forensic Medicine 2025;40(3):317-322
Objective To establish a high-throughput non-targeted screening and prioritization method for emerging pollutants(EPs)in sewage using direct injection high-resolution mass spectrometry(HRMS).Methods The sewage samples were filtered by membrane filter and directly subjected to the liquid chromatography-time-of-flight mass spectrometer based on a method modified from our previous study.A C18 chromatographic column was applied for a gradient elution separation,and accurate mass and mass spectral fragment information were obtained through the MS full scan mode and MS/MS DIA data collection mode.After peak detection and alignment,the features from the raw data through open source software MZmine 3,and then high-throughput screening strategies such as MassBank and PubChem databases were used for compound annotation.Finally,the candidate features were confirmed with chemical standards by compared their retention time and mass spectrum fragmentation ion peaks.Results 13 EPs were identified,including 7 industrial chemicals,4 pharmaceuticals,1 pesticide and 1 metabolite.High detection rates were observed for metformin(86.2%),2-hydroxybenzothiazole(79.3%),1,2-benzisothiazole-3-one(72.4%),and 1,2-benzisothiazole-3-one(72.4%).The quantitative concentration range of EPs was 1.37~19.05 ng/mL,with the high concentrations observed for melamine(19.05 ng/mL)and furosemide(18.49 ng/mL).Ecological risk assessment identified 1,2-benzisothiazol-3-one,4-aminoacetophenone,creatinine,2-hydroxybenzothiazole,and furosemide as key pollutants.Conclusion This direct injection coupled with HRMS workflow enables efficient non-targeted screening and prioritization of emerging EPs in sewage samples,highlighting five ecotoxicologically critical EPs.The methodology enhances environmental monitoring capabilities and provide critical technical support for interdisciplinary research such as environmental forensics and health risk assessment.
2.Non-targeted screening and prioritization of emerging pollutants in sewage using direct injection high-resolution mass spectrometry
Chao ZHANG ; Chang WANG ; Xiangru YI ; Jingjing SONG ; Li YANG ; Tao WANG ; ZhiWen WEI ; Keming YUN ; Haiyan CUI ; Fangxing YANG ; Meng HU
Chinese Journal of Forensic Medicine 2025;40(3):317-322
Objective To establish a high-throughput non-targeted screening and prioritization method for emerging pollutants(EPs)in sewage using direct injection high-resolution mass spectrometry(HRMS).Methods The sewage samples were filtered by membrane filter and directly subjected to the liquid chromatography-time-of-flight mass spectrometer based on a method modified from our previous study.A C18 chromatographic column was applied for a gradient elution separation,and accurate mass and mass spectral fragment information were obtained through the MS full scan mode and MS/MS DIA data collection mode.After peak detection and alignment,the features from the raw data through open source software MZmine 3,and then high-throughput screening strategies such as MassBank and PubChem databases were used for compound annotation.Finally,the candidate features were confirmed with chemical standards by compared their retention time and mass spectrum fragmentation ion peaks.Results 13 EPs were identified,including 7 industrial chemicals,4 pharmaceuticals,1 pesticide and 1 metabolite.High detection rates were observed for metformin(86.2%),2-hydroxybenzothiazole(79.3%),1,2-benzisothiazole-3-one(72.4%),and 1,2-benzisothiazole-3-one(72.4%).The quantitative concentration range of EPs was 1.37~19.05 ng/mL,with the high concentrations observed for melamine(19.05 ng/mL)and furosemide(18.49 ng/mL).Ecological risk assessment identified 1,2-benzisothiazol-3-one,4-aminoacetophenone,creatinine,2-hydroxybenzothiazole,and furosemide as key pollutants.Conclusion This direct injection coupled with HRMS workflow enables efficient non-targeted screening and prioritization of emerging EPs in sewage samples,highlighting five ecotoxicologically critical EPs.The methodology enhances environmental monitoring capabilities and provide critical technical support for interdisciplinary research such as environmental forensics and health risk assessment.
3.Study on spatio-temporal sequences and exploring health risk assessment of emerging pollutants in tap water based on nontarget screening
Ziwei YUAN ; Jingjing SONG ; Xiangru YI ; Yixuan CAO ; Xiaoxi MU ; Tao WANG ; Haiyan CUI ; Meng HU ; Keming YUN ; Zhiwen WEI
Chinese Journal of Forensic Medicine 2024;39(6):697-704
Objective Based on ultra-high-performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry(UPLC-QTOF-MS/MS),a nontarget screening strategy was adopted in analyzing and identifying emerging pollutants(EPs)in tap water across the country,and studying its spatial and temporal distribution characteristics.Methods After extracting tap water samples by solid phase extraction,mobile phases(0.1%aqueous formic acid and methanol solutions)was used to elute the sample on a C18 chromatographic column.The nontarget screening strategy was used to acquire the MS information in full scan mode.We extracted and analyzed the chromatographic and mass spectral peaks,then searched the spectral library to compare the exact mass numbers,and the secondary MS/MS spectra fragment ion information was compared one by one.Finally,the retention time and the mass spectrum data of candidate EPs were identified and analyzed with the data of standard samples.then quantified by the internal standard method.Results A total of 135 EPs were initially screened from tap water across the country and 24 with high chromatographic peak response were finally selected and verified by standard products,including 6 pharmaceuticals,13 pesticides,3 industrial compounds and 2 food additives.Nine of them showed detection rates of more than 60%,such as canrenone,medroxyprogesterone,hydrocortisone acetate,etc.The concentrations of detected pollutants range from ND 422.63 ng/L.And the four contaminants with higher average concentrations were canrenone,medroxyprogesterone,hydrocortisone acetate and tris(2-butoxyethyl)phosphate.Conclusion In this study,a nontarget strategy based on UPLC-QTOF-MS/MS was adopted to screen potential unknown pollutants with no-standards,and explored the overall contamination status of tap water samples.This contributed to more comprehensive understanding of the EPs distribution,and provided technical support for monitoring the EPs in tap water.
4.Study on spatio-temporal sequences and exploring health risk assessment of emerging pollutants in tap water based on nontarget screening
Ziwei YUAN ; Jingjing SONG ; Xiangru YI ; Yixuan CAO ; Xiaoxi MU ; Tao WANG ; Haiyan CUI ; Meng HU ; Keming YUN ; Zhiwen WEI
Chinese Journal of Forensic Medicine 2024;39(6):697-704
Objective Based on ultra-high-performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry(UPLC-QTOF-MS/MS),a nontarget screening strategy was adopted in analyzing and identifying emerging pollutants(EPs)in tap water across the country,and studying its spatial and temporal distribution characteristics.Methods After extracting tap water samples by solid phase extraction,mobile phases(0.1%aqueous formic acid and methanol solutions)was used to elute the sample on a C18 chromatographic column.The nontarget screening strategy was used to acquire the MS information in full scan mode.We extracted and analyzed the chromatographic and mass spectral peaks,then searched the spectral library to compare the exact mass numbers,and the secondary MS/MS spectra fragment ion information was compared one by one.Finally,the retention time and the mass spectrum data of candidate EPs were identified and analyzed with the data of standard samples.then quantified by the internal standard method.Results A total of 135 EPs were initially screened from tap water across the country and 24 with high chromatographic peak response were finally selected and verified by standard products,including 6 pharmaceuticals,13 pesticides,3 industrial compounds and 2 food additives.Nine of them showed detection rates of more than 60%,such as canrenone,medroxyprogesterone,hydrocortisone acetate,etc.The concentrations of detected pollutants range from ND 422.63 ng/L.And the four contaminants with higher average concentrations were canrenone,medroxyprogesterone,hydrocortisone acetate and tris(2-butoxyethyl)phosphate.Conclusion In this study,a nontarget strategy based on UPLC-QTOF-MS/MS was adopted to screen potential unknown pollutants with no-standards,and explored the overall contamination status of tap water samples.This contributed to more comprehensive understanding of the EPs distribution,and provided technical support for monitoring the EPs in tap water.
5.Dispersible formulation of levodopa-benserazide in treatment of 204 parkinson disease: a multicenter study
Zhongfang WENG ; Xinde WANG ; Yi LUO ; Zhuolin LIU ; Xiuchu SU ; Zhenxin ZHANG ; Yuping JIANG ; Benshu ZHANG ; Xiangru SUN ; Shengdi CHEN
Chinese Journal of New Drugs and Clinical Remedies 2001;20(2):97-100
AIM: To study the efficacy and safety of dispersible formulation of levodopa-benserazide on the parkinson disease. METHODS: The multicenter, open-label, self-controlled trial was conducted at 23 hospitals in 15 cities. Two hundred and four patients with idiopathic parkinson who had received standard levodopa-benserazide previously participated in this study. Dispersible levodopa-benserazide instead of standard levodopa-benserazide for 8 wk as a course. The Webster rating scale and patient diary were applied to assess the efficacy and safety of dispersible levodopa-benserazide. RESULTS: The medication with dispersible levodopa-benserazide increased “on” time by 47 min, decreased “off” time by 11 min, and speeded the onset of “on” time by 37 min. The Webster score was improved by 25 %. Statistical significant difference was calculated (P<0.01). Slight and few adverse reactions were found. CONCLUSION: Dispersible formulation of levodopa-benserazide is a powerful anti-parkinsonian drug characterized by oral easy use and rapid reach to therapeutic action after ingestion. This drug is particularly used in the parkinsonian patients with morning akinesia, delayed onset of “on” time, afternoon “off” status and dysphagia.
6.The safety and the therapeutic efficacy of ?-dihydroergocriptin in the treatment of Parkinson's disease by multi-center clinical trial
Xinde WANG ; Xiangru SUN ; Yi LUO ; Jizuo WANG ; Yuping JIANG ; Shengdi CHEN
Chinese Journal of Geriatrics 1995;0(02):-
Objective To study the therapeutic efficacy of dopaminergic agonists,? dihydroergocriptin(Cripar) by multiple center opened trial Methods Sixty cases of Parkinson's disease were divided into two groups: monotherapy group(27 cases) and combined therapy group(33 cases) The improvement in both groups after therapy was observed Results Patients undergone monotherapy were treated with ? dihydroergocriptin and those undergone combined therapy were treated with combined use of ? dihydroergocriptin and L doparmine All patients after treatment showed improvement of clinical symptoms There were 7 patients (28 0%) in the monotherapy group and 13 patients (39 4%) in the combined therapy group markedly improved Evaluation of therapeutic improvement by modified UPDRS revealed that the average scores was 5 01 in monotherapy group and was 6 39( P

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