The adulteration concentration of palm kernel oil(PKO)in virgin coconut oil(VCO)was quantified using near-infrared(NIR)hyperspectral imaging.Nowadays,some VCO is adulterated with lower-priced PKO to reduce production ...The adulteration concentration of palm kernel oil(PKO)in virgin coconut oil(VCO)was quantified using near-infrared(NIR)hyperspectral imaging.Nowadays,some VCO is adulterated with lower-priced PKO to reduce production costs,which diminishes the quality of the VCO.This study used NIR hyperspectral imaging in the wavelength region 900-1,650 nm to create a quantitative model for the detection of PKO contaminants(0-100%)in VCO and to develop predictive mapping.The prediction equation for the adulteration of VCO with PKO was constructed using the partial least squares regression method.The best predictive model was pre-processed using the standard normal variate method,and the coefficient of determination of prediction was 0.991,the root mean square error of prediction was 2.93%,and the residual prediction deviation was 10.37.The results showed that this model could be applied for quantifying the adulteration concentration of PKO in VCO.The prediction adulteration concentration mapping of VCO with PKO was created from a calibration model that showed the color level according to the adulteration concentration in the range of 0-100%.NIR hyperspectral imaging could be clearly used to quantify the adulteration of VCO with a color level map that provides a quick,accurate,and non-destructive detection method.展开更多
Drug adulteration and contamination are serious threats to human health therefore,their accurate monitoring is very important.Allopurinol(Alp)and theophylline(Thp)are commonly used drugs for the treatment of gout and ...Drug adulteration and contamination are serious threats to human health therefore,their accurate monitoring is very important.Allopurinol(Alp)and theophylline(Thp)are commonly used drugs for the treatment of gout and bronchitis,while their isomers hypoxanthine(Hyt)and theobromine(Thm)have no effect and affect the efficacy of the drug.In this work,the drug isomers of Alp/Hyt and Thp/Thm are simply mixed withα-,β-,γ-cyclodextrin(CD)and metal ions and separated using trapped ion mobility spectrometry-mass spectrometry(TIMS-MS).TIMS-MS results showed that Alp/Hyt and Thp/Thm isomers could interact with CD and metal ions and form corresponding binary or ternary complexes to achieve their TIMS separation.Different metal ions and CDs showed different separation effect for the isomers,among which Alp and Hyt could be successfully distinguished from the complexes of[Alp/Hyt+γ-CD+Cu–H]^(+)with separation resolution(RP–P)of 1.51;whereas Thp and Thm could be baseline separated by[Thp/Thm+γ-CD+Ca–H]^(+)with RP–P of 1.96.Besides,chemical calculations revealed that the complexes were in the inclusion forms,and microscopic interactions were somewhat different,making their mobility separation.Moreover,relative and absolute quantification was investigated with an internal standard to determine the precise isomers content,and good linearity(R^(2)>0.99)was obtained.Finally,the method was applied for the adulteration detection where different drugs and urine were analyzed.In addition,due to the advantages of fast speed,simple operation,high sensitivity,and no chromatographic separation required,the proposed method provides an effective strategy for the drug adulteration detection of isomers.展开更多
目的采用氢核磁共振(1H nuclear magnetic resonance,1H NMR)结合正交偏最小二乘法(orthogonal partial least squares,OPLS)建立对蛹虫草中金针菇、杏鲍菇和香菇掺假的鉴别方法。方法主成分分析得分图显示,不同类型的掺假样品并不能完...目的采用氢核磁共振(1H nuclear magnetic resonance,1H NMR)结合正交偏最小二乘法(orthogonal partial least squares,OPLS)建立对蛹虫草中金针菇、杏鲍菇和香菇掺假的鉴别方法。方法主成分分析得分图显示,不同类型的掺假样品并不能完全分离。采用两步法进一步提高模型的鉴别能力,首先对纯蛹虫草和掺假蛹虫草进行正交偏最小二乘判别分析(orthogonal partial least squares discriminant analysis,OPLS-DA),模型显示真假蛹虫草分类良好,两类样品存在明显区别。然后对所有20%掺假蛹虫草进行双向正交偏最小二乘判别分析(two-way orthogonal partial least squares discriminant analysis,O_(2)PLS-DA),通过分别由28个和12个样本组成的训练和测试集来检查鉴别能力的准确性。结果掺假物金针菇、杏鲍菇和香菇能够被准确辨别。结论1H NMR代谢指纹图谱结合化学计量学,对于真伪蛹虫草及掺假类型能够有效鉴别,具有商业筛选的应用前景。展开更多
基金supported by the Thailand Research Fund through the Royal Golden Jubilee Ph.D.Program(PHD/0225/2561)the Faculty of Engineering,Kamphaeng Saen Campus,Kasetsart University,Thailand。
文摘The adulteration concentration of palm kernel oil(PKO)in virgin coconut oil(VCO)was quantified using near-infrared(NIR)hyperspectral imaging.Nowadays,some VCO is adulterated with lower-priced PKO to reduce production costs,which diminishes the quality of the VCO.This study used NIR hyperspectral imaging in the wavelength region 900-1,650 nm to create a quantitative model for the detection of PKO contaminants(0-100%)in VCO and to develop predictive mapping.The prediction equation for the adulteration of VCO with PKO was constructed using the partial least squares regression method.The best predictive model was pre-processed using the standard normal variate method,and the coefficient of determination of prediction was 0.991,the root mean square error of prediction was 2.93%,and the residual prediction deviation was 10.37.The results showed that this model could be applied for quantifying the adulteration concentration of PKO in VCO.The prediction adulteration concentration mapping of VCO with PKO was created from a calibration model that showed the color level according to the adulteration concentration in the range of 0-100%.NIR hyperspectral imaging could be clearly used to quantify the adulteration of VCO with a color level map that provides a quick,accurate,and non-destructive detection method.
基金supported by the National Natural Science Foundation of China(Grant Nos.:22004074 and 21927805)Zhejiang Natural Science Foundation(Grant No.:LY22B050006)Foundation of Zhejiang Provincial Key Laboratory of Advanced Mass Spectrometry Technology and Molecular Detection(Grant No.:AMSMAKF2102).
文摘Drug adulteration and contamination are serious threats to human health therefore,their accurate monitoring is very important.Allopurinol(Alp)and theophylline(Thp)are commonly used drugs for the treatment of gout and bronchitis,while their isomers hypoxanthine(Hyt)and theobromine(Thm)have no effect and affect the efficacy of the drug.In this work,the drug isomers of Alp/Hyt and Thp/Thm are simply mixed withα-,β-,γ-cyclodextrin(CD)and metal ions and separated using trapped ion mobility spectrometry-mass spectrometry(TIMS-MS).TIMS-MS results showed that Alp/Hyt and Thp/Thm isomers could interact with CD and metal ions and form corresponding binary or ternary complexes to achieve their TIMS separation.Different metal ions and CDs showed different separation effect for the isomers,among which Alp and Hyt could be successfully distinguished from the complexes of[Alp/Hyt+γ-CD+Cu–H]^(+)with separation resolution(RP–P)of 1.51;whereas Thp and Thm could be baseline separated by[Thp/Thm+γ-CD+Ca–H]^(+)with RP–P of 1.96.Besides,chemical calculations revealed that the complexes were in the inclusion forms,and microscopic interactions were somewhat different,making their mobility separation.Moreover,relative and absolute quantification was investigated with an internal standard to determine the precise isomers content,and good linearity(R^(2)>0.99)was obtained.Finally,the method was applied for the adulteration detection where different drugs and urine were analyzed.In addition,due to the advantages of fast speed,simple operation,high sensitivity,and no chromatographic separation required,the proposed method provides an effective strategy for the drug adulteration detection of isomers.
文摘目的采用氢核磁共振(1H nuclear magnetic resonance,1H NMR)结合正交偏最小二乘法(orthogonal partial least squares,OPLS)建立对蛹虫草中金针菇、杏鲍菇和香菇掺假的鉴别方法。方法主成分分析得分图显示,不同类型的掺假样品并不能完全分离。采用两步法进一步提高模型的鉴别能力,首先对纯蛹虫草和掺假蛹虫草进行正交偏最小二乘判别分析(orthogonal partial least squares discriminant analysis,OPLS-DA),模型显示真假蛹虫草分类良好,两类样品存在明显区别。然后对所有20%掺假蛹虫草进行双向正交偏最小二乘判别分析(two-way orthogonal partial least squares discriminant analysis,O_(2)PLS-DA),通过分别由28个和12个样本组成的训练和测试集来检查鉴别能力的准确性。结果掺假物金针菇、杏鲍菇和香菇能够被准确辨别。结论1H NMR代谢指纹图谱结合化学计量学,对于真伪蛹虫草及掺假类型能够有效鉴别,具有商业筛选的应用前景。
