高分辨质谱技术(High resolution mass spectrometer,HRMS)是具有食品安全风险识别能力的分析技术,理论上能够检测和鉴别食品中所有风险物质,适用于多种微量危害因子的鉴别和监测。基于HRMS的靶向高通量检测、非靶向筛查、代谢组学、分...高分辨质谱技术(High resolution mass spectrometer,HRMS)是具有食品安全风险识别能力的分析技术,理论上能够检测和鉴别食品中所有风险物质,适用于多种微量危害因子的鉴别和监测。基于HRMS的靶向高通量检测、非靶向筛查、代谢组学、分子网络等新兴分析策略,能够帮助检测实验室面对日益增长的食品安全需求。同时在数据处理、统计分析和化学物质鉴别方面,支持HRMS数据的软件和数据库也在不断地开发和扩展。文章从分析策略、化学计量学分析、数据库检索三个方面,简述了HRMS在食品质量及安全检测中的潜能和技术路线,系统阐述HRMS及相关分析技术在食品检测领域的发展趋势。展开更多
Cutaneous malignant melanoma is the most aggressive form of skin cancer with an extremely poor survival rate for the patients diagnosed with locally invasive and metastatic disease states. Intensive research has led i...Cutaneous malignant melanoma is the most aggressive form of skin cancer with an extremely poor survival rate for the patients diagnosed with locally invasive and metastatic disease states. Intensive research has led in last few years to an improvement of the early detection and curative treatment of primary cutaneous melanomas that are confined to the skin by tumor surgical resection. However, locally advanced and disseminated melanomas are generally resistant to conventional treatments, including ionizing radiation, systemic chemotherapy, immunotherapy and/or adjuvant stem cellbased therapies, and result in the death of patients. The rapid progression of primary melanomas to locally invasive and/or metastatic disease states remains a major obstacle for an early effective diagnosis and a curative therapeutic intervention for melanoma patients. Importantly, recent advances in the melanoma research have led to the identification of different gene products that are often implicated in the malignant transforma-tion of melanocytic cells into melanoma cells, including melanoma stem/progenitor cells, during melanoma initiation and progression to locally advanced and metastatic disease states. The frequent deregulated genes products encompass the oncogenic B-Raf V600 E and N-RasQ 61 R mutants, different receptor tyrosine kinases and developmental pathways such as epidermal growth factor receptor(EGFR), stem cell-like factor(SCF) receptor KIT, hedgehog, Wnt/β-catenin, Notch, stromal cell-derived factor-1(SDF-1)/CXC chemokine receptor-4(CXCR4) and vascular endothelial growth factor(VEGF)/VEGFR receptor. These growth factors can cooperate to activate distinct tumorigenic downstream signaling elements and epithelial-mesenchymal transition(EMT)-associated molecules, including phosphatidylinositol 3'-kinase(PI3K)/Akt/ molecular target of rapamycin(mT OR), nuclear factor-kappaB(NF-κB), macrophage inhibitory cytokine-1(MIC-1), vimentin, snail and twist. Of therapeutic relevance, these deregulated signal transduction components展开更多
Thyroid hormones are critical for foetal neurological development and maternal health. Maternal hypothyroidism during pregnancy is associated with adverse impact on health of the mother as well as the progeny. Reduced...Thyroid hormones are critical for foetal neurological development and maternal health. Maternal hypothyroidism during pregnancy is associated with adverse impact on health of the mother as well as the progeny. Reduced thyroid hormone levels predispose the child to develop mental retardation and cognitive delay in early life. In the mother, hypothyroidism during pregnancy is associated with spontaneous abortion, placental abruption, preterm delivery and hypertensive disorders. Therefore, screening and therapeutic intervention is justified to prevent foetal as well as maternal co-morbidities. In view of impact of such a large-scale screening and intervention program on limited healthcare resources, it is debatable if a targeted rather than universal screening program will result in comparable outcomes. In addition, there is an ongoing debate regarding best evidence-based practice for the management of isolated hypothyroxinaemia, subclinical hypothyroidism and euthyroid women with autoimmune hypothyroidism. We have carried out a review of the literature; firstly, to determine whether universal screening for asymptomatic women in early pregnancy would be cost-effective. Secondly, we have retrospectively reviewed the literature to analyse the evidence regarding the impact of therapeutic intervention in women with subclinical hypothyroidism.展开更多
[Objectives]The paper was to establish a rapid screening method of pesticide residues in strawberry based on HPLC-QTOF/MS SWATH acquisition mode.[Methods]The strawberry sample was extracted with acetonitrile,purified ...[Objectives]The paper was to establish a rapid screening method of pesticide residues in strawberry based on HPLC-QTOF/MS SWATH acquisition mode.[Methods]The strawberry sample was extracted with acetonitrile,purified with anhydrous magnesium sulfate,sodium chloride and primary secondary amine(PSA)powder,and then loaded on the machine.The full information spectrum was collected by positive ion mode and screened by comparing with the spectrum library,and 20 kinds of pesticide residues were quantitatively analyzed.[Results]The detection limits of 20 pesticide residues were 0.0002-0.0100 mg/kg,and they showed good linearity in the range of 0.0005-0.1000μg/mL(R 2≥0.995).The recoveries ranged from 62.8%to 106.3%.[Conclusions]This method is rapid,simple,sensitive and non-targeted,and can be used for rapid screening of multiple pesticide residues in strawberry.展开更多
Qi-Yu-San-Long decoction(QYSLD)is a traditional Chinese medicine that has been clinically used in the treatment of non-small-cell lung cancer(NSCLC)for more than 20 years.However,to date,metabolicrelated studies on QY...Qi-Yu-San-Long decoction(QYSLD)is a traditional Chinese medicine that has been clinically used in the treatment of non-small-cell lung cancer(NSCLC)for more than 20 years.However,to date,metabolicrelated studies on QYSLD have not been performed.In this study,a post-targeted screening strategy based on ultra-performance liquid chromatography coupled with quadrupole time-of-flight full information tandem mass spectrometry(UPLC-QTOF-MS^(E))was developed to identify QYSLD-related xenobiotics in rat urine.The chemical compound database of QYSLD constituents was established from previous research,and metabolites related to these compounds were predicted in combination with their possible metabolic pathways.The metabolites were identified by extracted ion chromatograms using predicted m/z values as well as retention time,excimer ions,and fragmentation behavior.Overall,85 QYSLD-related xenobiotics(20 prototype compounds and 65 metabolites)were characterized from rat urine.The main metabolic reactions and elimination features of QYSLD included oxidation,reduction,decarboxylation,hydrolysis,demethylation,glucuronidation,sulfation,methylation,deglycosylation,acetylation,and associated combination reactions.Of the identified molecules,14 prototype compounds and 58 metabolites were slowly eliminated,thus accumulating in vivo over an extended period,while five prototypes and two metabolites were present in vivo for a short duration.Furthermore,one prototype and five metabolites underwent the process of“appearing-disappearing-reappearing”in vivo.Overall,the metabolic profile and characteristics of QYSLD in rat urine were determined,which is useful in elucidating the active components of the decoction in vivo,thus providing the basis for studying its mechanism of action.展开更多
The proliferation of adulterated health foods and beverages in the market demands a comprehensive analytical strategy to identify the adulterants,particularly those of isomeric phosphodiesterase 5(PDE5)inhibitors.An i...The proliferation of adulterated health foods and beverages in the market demands a comprehensive analytical strategy to identify the adulterants,particularly those of isomeric phosphodiesterase 5(PDE5)inhibitors.An instant coffee premix(ICP)purchased from an online retailer was flagged for suspected adulteration through PDE5 inhibition assay.The ICP was then analysed using suspected-target and non-targeted screenings of a liquid chromatography-quadrupole time-of-flight mass spectrometry.Based on these findings,a PDE5 inhibitor initially assigned as compound X was isolated from the ICP by employing a liquid chromatography-diode array detection before its structural elucidation with liquid chromatography-ultraviolet(LC-UV)spectroscopy and nuclear magnetic resonance(NMR)spectroscopy.The suspected-target screening matched the protonated molecule([MþH]þ)precursor ion of compound X at m/z 499.2310 with two suspected analytes that are structural isomers of one another.The fragmentation patterns of compound X were comparable to those analogues in the dithiocarbodenafil group through the non-targeted screening.These findings,complemented by the LC-UV and NMR spectroscopy data,together with the chromatographic separation of related structural isomers,conclude the identity of compound X.To our best knowledge,this is the first study to report the presence of 3,5-dimethylpiperazinyl-dithiodesmethylcarbodenafil in an ICP sample.展开更多
文摘高分辨质谱技术(High resolution mass spectrometer,HRMS)是具有食品安全风险识别能力的分析技术,理论上能够检测和鉴别食品中所有风险物质,适用于多种微量危害因子的鉴别和监测。基于HRMS的靶向高通量检测、非靶向筛查、代谢组学、分子网络等新兴分析策略,能够帮助检测实验室面对日益增长的食品安全需求。同时在数据处理、统计分析和化学物质鉴别方面,支持HRMS数据的软件和数据库也在不断地开发和扩展。文章从分析策略、化学计量学分析、数据库检索三个方面,简述了HRMS在食品质量及安全检测中的潜能和技术路线,系统阐述HRMS及相关分析技术在食品检测领域的发展趋势。
基金Supported by The National Institutes of Health National Cancer Institute(Grants EDRN CA111294,and SPORE CA127297)
文摘Cutaneous malignant melanoma is the most aggressive form of skin cancer with an extremely poor survival rate for the patients diagnosed with locally invasive and metastatic disease states. Intensive research has led in last few years to an improvement of the early detection and curative treatment of primary cutaneous melanomas that are confined to the skin by tumor surgical resection. However, locally advanced and disseminated melanomas are generally resistant to conventional treatments, including ionizing radiation, systemic chemotherapy, immunotherapy and/or adjuvant stem cellbased therapies, and result in the death of patients. The rapid progression of primary melanomas to locally invasive and/or metastatic disease states remains a major obstacle for an early effective diagnosis and a curative therapeutic intervention for melanoma patients. Importantly, recent advances in the melanoma research have led to the identification of different gene products that are often implicated in the malignant transforma-tion of melanocytic cells into melanoma cells, including melanoma stem/progenitor cells, during melanoma initiation and progression to locally advanced and metastatic disease states. The frequent deregulated genes products encompass the oncogenic B-Raf V600 E and N-RasQ 61 R mutants, different receptor tyrosine kinases and developmental pathways such as epidermal growth factor receptor(EGFR), stem cell-like factor(SCF) receptor KIT, hedgehog, Wnt/β-catenin, Notch, stromal cell-derived factor-1(SDF-1)/CXC chemokine receptor-4(CXCR4) and vascular endothelial growth factor(VEGF)/VEGFR receptor. These growth factors can cooperate to activate distinct tumorigenic downstream signaling elements and epithelial-mesenchymal transition(EMT)-associated molecules, including phosphatidylinositol 3'-kinase(PI3K)/Akt/ molecular target of rapamycin(mT OR), nuclear factor-kappaB(NF-κB), macrophage inhibitory cytokine-1(MIC-1), vimentin, snail and twist. Of therapeutic relevance, these deregulated signal transduction components
文摘Thyroid hormones are critical for foetal neurological development and maternal health. Maternal hypothyroidism during pregnancy is associated with adverse impact on health of the mother as well as the progeny. Reduced thyroid hormone levels predispose the child to develop mental retardation and cognitive delay in early life. In the mother, hypothyroidism during pregnancy is associated with spontaneous abortion, placental abruption, preterm delivery and hypertensive disorders. Therefore, screening and therapeutic intervention is justified to prevent foetal as well as maternal co-morbidities. In view of impact of such a large-scale screening and intervention program on limited healthcare resources, it is debatable if a targeted rather than universal screening program will result in comparable outcomes. In addition, there is an ongoing debate regarding best evidence-based practice for the management of isolated hypothyroxinaemia, subclinical hypothyroidism and euthyroid women with autoimmune hypothyroidism. We have carried out a review of the literature; firstly, to determine whether universal screening for asymptomatic women in early pregnancy would be cost-effective. Secondly, we have retrospectively reviewed the literature to analyse the evidence regarding the impact of therapeutic intervention in women with subclinical hypothyroidism.
基金Supported by Scientific Research Project of General Administration of Customs (2021DK16).
文摘[Objectives]The paper was to establish a rapid screening method of pesticide residues in strawberry based on HPLC-QTOF/MS SWATH acquisition mode.[Methods]The strawberry sample was extracted with acetonitrile,purified with anhydrous magnesium sulfate,sodium chloride and primary secondary amine(PSA)powder,and then loaded on the machine.The full information spectrum was collected by positive ion mode and screened by comparing with the spectrum library,and 20 kinds of pesticide residues were quantitatively analyzed.[Results]The detection limits of 20 pesticide residues were 0.0002-0.0100 mg/kg,and they showed good linearity in the range of 0.0005-0.1000μg/mL(R 2≥0.995).The recoveries ranged from 62.8%to 106.3%.[Conclusions]This method is rapid,simple,sensitive and non-targeted,and can be used for rapid screening of multiple pesticide residues in strawberry.
基金supported by grants from the National Natural Science Foundation of China(Grant No.:81903765)the Open Fund Project of Key Laboratory of Traditional Chinese Medicine for Prevention and Treatment of Major Pulmonary Diseases of the Anhui Provincial Department of Education(Grant No.:JYTKF2020-5)the Graduate Science and Technology Innovation Fund project of Anhui University of Chinese Medicine(Grant No.:2020YB06).
文摘Qi-Yu-San-Long decoction(QYSLD)is a traditional Chinese medicine that has been clinically used in the treatment of non-small-cell lung cancer(NSCLC)for more than 20 years.However,to date,metabolicrelated studies on QYSLD have not been performed.In this study,a post-targeted screening strategy based on ultra-performance liquid chromatography coupled with quadrupole time-of-flight full information tandem mass spectrometry(UPLC-QTOF-MS^(E))was developed to identify QYSLD-related xenobiotics in rat urine.The chemical compound database of QYSLD constituents was established from previous research,and metabolites related to these compounds were predicted in combination with their possible metabolic pathways.The metabolites were identified by extracted ion chromatograms using predicted m/z values as well as retention time,excimer ions,and fragmentation behavior.Overall,85 QYSLD-related xenobiotics(20 prototype compounds and 65 metabolites)were characterized from rat urine.The main metabolic reactions and elimination features of QYSLD included oxidation,reduction,decarboxylation,hydrolysis,demethylation,glucuronidation,sulfation,methylation,deglycosylation,acetylation,and associated combination reactions.Of the identified molecules,14 prototype compounds and 58 metabolites were slowly eliminated,thus accumulating in vivo over an extended period,while five prototypes and two metabolites were present in vivo for a short duration.Furthermore,one prototype and five metabolites underwent the process of“appearing-disappearing-reappearing”in vivo.Overall,the metabolic profile and characteristics of QYSLD in rat urine were determined,which is useful in elucidating the active components of the decoction in vivo,thus providing the basis for studying its mechanism of action.
文摘The proliferation of adulterated health foods and beverages in the market demands a comprehensive analytical strategy to identify the adulterants,particularly those of isomeric phosphodiesterase 5(PDE5)inhibitors.An instant coffee premix(ICP)purchased from an online retailer was flagged for suspected adulteration through PDE5 inhibition assay.The ICP was then analysed using suspected-target and non-targeted screenings of a liquid chromatography-quadrupole time-of-flight mass spectrometry.Based on these findings,a PDE5 inhibitor initially assigned as compound X was isolated from the ICP by employing a liquid chromatography-diode array detection before its structural elucidation with liquid chromatography-ultraviolet(LC-UV)spectroscopy and nuclear magnetic resonance(NMR)spectroscopy.The suspected-target screening matched the protonated molecule([MþH]þ)precursor ion of compound X at m/z 499.2310 with two suspected analytes that are structural isomers of one another.The fragmentation patterns of compound X were comparable to those analogues in the dithiocarbodenafil group through the non-targeted screening.These findings,complemented by the LC-UV and NMR spectroscopy data,together with the chromatographic separation of related structural isomers,conclude the identity of compound X.To our best knowledge,this is the first study to report the presence of 3,5-dimethylpiperazinyl-dithiodesmethylcarbodenafil in an ICP sample.
