采用氢核磁共振(1H nuclear magnetic resonance,1H NMR)代谢组学技术对酸枣仁、理枣仁以及不同比例的掺伪粉末进行对比,结合多元统计分析建立一种快速鉴别酸枣仁粉末及其掺伪品的方法。主成分分析显示掺伪比例较低的样品与酸枣仁有部...采用氢核磁共振(1H nuclear magnetic resonance,1H NMR)代谢组学技术对酸枣仁、理枣仁以及不同比例的掺伪粉末进行对比,结合多元统计分析建立一种快速鉴别酸枣仁粉末及其掺伪品的方法。主成分分析显示掺伪比例较低的样品与酸枣仁有部分的重叠。偏最小二乘法-判别分析(partial least squares-discriminant analysis,PLS-DA)显示,当掺伪比例不低于40%时,酸枣仁粉和掺伪品沿t[1]轴完全分开。在此基础上,采用PLS对酸枣仁及其不同掺伪比例粉末样品训练集数据进行回归分析,并建立掺伪判别模型。1H NMR与PLS相结合的模型预测结果准确性较高,可实现酸枣仁中理枣仁掺假的快速鉴别。该方法为酸枣仁及含酸枣仁的保健食品、复方制剂质量评价提供了一条新途径。展开更多
Background Spinal cord injury （SCI） is a complex trauma that consists of multiple pathological mechanisms involving cytotoxic, oxidation stress and immune-endocrine. This study aimed to establish plasma metabonomics...Background Spinal cord injury （SCI） is a complex trauma that consists of multiple pathological mechanisms involving cytotoxic, oxidation stress and immune-endocrine. This study aimed to establish plasma metabonomics fingerprinting atlas for SCI using 1H nuclear magnetic resonance （NMR） based metabonomics methodology and principal component analysis techniques.Methods Nine Sprague-Dawley （SD） male rats were randomly divided into SCI, normal and sham-operation control groups. Plasma samples were collected for 1H NMR spectroscopy 3 days after operation. The NMR data were analyzed using principal component analysis technique with Matlab software.Results Metabonomics analysis was able to distinguish the three groups （SCI, normal control, sham-operation）. The fingerprinting atlas indicated that, compared with those without SCI, the SCI group demonstrated the following characteristics with regard to second principal component： it is made up of fatty acids, myc-inositol, arginine, very low-density lipoprotein （VLDL）, low-density lipoprotein （LDL）, triglyceride （TG）, glucose, and 3-methyl-histamine.Conclusions The data indicated that SCI results in several significant changes in plasma metabolism early on and that a metabonomics approach based on 1H NMR spectroscopy can provide a metabolic profile comprising several metabolite classes and allow for relative quantification of such changes. The results also provided support for further development and application of metabonomics technologies for studying SCI and for the utilization of multivariate models for classifying the extent of trauma within an individual.展开更多
【目的】应用1H谱核磁共振(1H NMR)技术筛选乳热奶牛血清内差异表现的小分子代谢物,从小分子水平和物质、能量代谢的角度探究奶牛发生乳热时其体内的代谢变化。【方法】选取年龄、胎次、体况和泌乳量相近的分娩当天的荷斯坦高产奶牛共32...【目的】应用1H谱核磁共振(1H NMR)技术筛选乳热奶牛血清内差异表现的小分子代谢物,从小分子水平和物质、能量代谢的角度探究奶牛发生乳热时其体内的代谢变化。【方法】选取年龄、胎次、体况和泌乳量相近的分娩当天的荷斯坦高产奶牛共32头,根据其血清中钙离子浓度及其有无临床症状分为两组。其中,24头奶牛为健康对照组(Group1,血钙浓度>2.5 mmol·L-1,无其他任何症状)和8头乳热组(Group2,血钙浓度<1.4mmol·L-1,伴有明显乳热临床症状)。32头奶牛分别于清晨饲喂和榨乳前从颈静脉采集血液10 m L,置于离心管中,4℃下以1 500×g离心20 min,将离心得到的血清装入1.5 m L的EP管中,置于-80℃下待测。待样品解冻后,分别从每个EP管中抽取400μL血清,加入200μL缓冲盐溶液,充分混合、离心后,提取550μL上清液置于5mm核磁管中,在500 MHz的核磁共振波谱仪下采集信号。然后利用Topspin和Mest Re Nova等软件将采集到的信号进行傅里叶转换,同时进行调零、校正基线和相位等预处理,去除水峰和尿素峰信号,将一维图谱进行积分分段,并将图谱信息转换为TXT格式文件,以便于后续数据分析,然后使用Chenomx软件进行化合物指认。最后应用SIMCA-P软件对得到的图谱数据进行多元统计分析,包括主成分分析(PCA)和正交修正-偏最小二乘法-判别分析(OSC-PLS-DA),同时结合SPSS软件对核磁数据进行单因素方差分析得到的P值以及Loading图,最终筛选出表现差异的小分子代谢物。【结果】本试验成功得到了乳热组和健康对照组奶牛的血清代谢图谱及差异表达代谢物的Loading图;PCA结果显示每组样品均在95%置信区间内,无需剔除,主成分贡献率较低,其中PC1=26.2%,PC2=16.7%,组间差异变量不能被选择;OSC-PLS-DA结果显示经过5次正交信号修正,与分组无关的变量被去除,组间差异达到最大化;与健康对照组相比,共筛选出9种血清展开更多
目的建立基于氢核磁共振(1H nuclear magnetic resonance,1H NMR)结合支持向量机分类模型鉴别蜂蜜植物源的方法。方法采集荆条蜜、油菜蜜、洋槐蜜、葵花蜜4种不同植物源的蜂蜜共计122例样品的谱图信息,分全谱(δ0.10~δ9.50)、脂肪区(δ...目的建立基于氢核磁共振(1H nuclear magnetic resonance,1H NMR)结合支持向量机分类模型鉴别蜂蜜植物源的方法。方法采集荆条蜜、油菜蜜、洋槐蜜、葵花蜜4种不同植物源的蜂蜜共计122例样品的谱图信息,分全谱(δ0.10~δ9.50)、脂肪区(δ0.10~δ3.00)、糖类化合物区(δ3.00~δ6.00)、芳香区(δ6.00~δ9.50)4个不同积分区间建立分类模型,结合主成分权值系数筛选特征变量,进一步优化判别模型。结果基于主成分权值系数筛选变量范围δ3.40~δ3.90和δ4.60~δ4.70内共计267个积分变量,以该区域积分变量为输入变量建立的支持向量机分类模型,对训练集的判别正确率为97.53%,对测试集的判别正确率为100%。结论通过主成分权值系数能有效筛选特征变量,减少输入变量的同时提高模型稳健性与准确性,基于氢核磁共振结合支持向量机分类模型能有效鉴别不同植物源蜂蜜。展开更多
采用基于核磁共振氢谱（~1H nuclear magnetic resonance,~1H NMR）的代谢组学技术,结合代谢通路分析,对山西老陈醋对大鼠机体代谢组学的影响进行研究。结果表明：给予山西老陈醋后,大鼠的血清和尿液内源性代谢物发生明显变化,其中α-...采用基于核磁共振氢谱（~1H nuclear magnetic resonance,~1H NMR）的代谢组学技术,结合代谢通路分析,对山西老陈醋对大鼠机体代谢组学的影响进行研究。结果表明：给予山西老陈醋后,大鼠的血清和尿液内源性代谢物发生明显变化,其中α-葡萄糖、β-葡萄糖、乳酸、柠檬酸、苹果酸、脂质和马尿酸等代谢物含量变化较大。代谢通路分析发现,山西老陈醋能显著影响大鼠机体的酮体合成与降解、淀粉和蔗糖代谢以及三羧酸循环和丁酸甲酯代谢,这些影响主要与能量代谢、糖代谢、脂肪代谢等过程密切相关。本研究从代谢组学的角度分析了山西老陈醋对大鼠正常机体代谢物的影响,为其抗疲劳、降糖、降脂等保健作用提供了研究依据。展开更多
Objective:Xin-Ke-Shu(XKS),a patent drug,used to treat coronary artery diseases in China for many years.Previous research indicates that XKS has similar therapeutic effect as atorvastatin(AS)against atherosclerotic in ...Objective:Xin-Ke-Shu(XKS),a patent drug,used to treat coronary artery diseases in China for many years.Previous research indicates that XKS has similar therapeutic effect as atorvastatin(AS)against atherosclerotic in rabbits.However,biochemical assays demonstrate that XKS could have a different therapeutic mechanism from AS.The aim of this study is to explore the mechanism of XKS therapeutic effect,especially those different from AS.Materials and Methods:~1H nuclear magnetic resonance-based metabonomics were applied to profile the low-molecular-weight polar metabolites in the plasma of rabbits fed a high cholesterol diet.Results:Seven of the eleven pathological biomarkers related to atherosclerosis in rabbits were mediated by XKS treatment,namely low-density lipoprotein/very-low-density lipoprotein LDL/VLDL),lactate,citrate,phosphatidylcholine,glutamine,creatinine,and methionine,as well as two characteristic metabolites of pyruvate and α-glucose.These metabolites involved lipid,energy,and amino acid metabolism,and all could be considered XKS treatment targets.However,AS only affected the metabolic disorders associated with LDL/VLDL and phosphatidylcholine,which is mainly target lipid metabolism.Conclusions:This study indicates that the anti-atherosclerosis effects of AS mainly involve reducing blood–lipid levels,but those of XKS involve a multitargeted activity.展开更多
以超高温灭菌乳和复原乳为研究对象,利用1H核磁共振(nuclear magnetic resonance,1H NMR)技术对2种乳中脂肪酸含量进行分析。结果表明:超高温灭菌乳和复原乳中亚麻酸相对含量分别为(0.98±0.11)%、(0.90±0.04)%,亚油酸相对含...以超高温灭菌乳和复原乳为研究对象,利用1H核磁共振(nuclear magnetic resonance,1H NMR)技术对2种乳中脂肪酸含量进行分析。结果表明:超高温灭菌乳和复原乳中亚麻酸相对含量分别为(0.98±0.11)%、(0.90±0.04)%,亚油酸相对含量分别为(1.15±0.36)%、(1.11±0.36)%,油酸相对含量分别为(27.30±0.56)%、(26.78±0.78)%,饱和脂肪酸相对含量分别为(43.26±1.56)%、(43.81±2.34)%;对2种牛乳脂肪酸的1H NMR谱峰和脂肪酸含量进行正交偏最小二乘法判别分析和独立样本t检验,发现亚麻酸相对含量在2种牛乳间具有显著性差异(P<0.05),并根据结果对2种乳进行营养学评价,对高血脂、高胆固醇等人群而言,超高温灭菌乳比复原乳更合适,2种乳中其他脂肪酸的营养价值相近。展开更多
目的建立核磁氢谱内标法快速测定酒制品中酒精含量的定量分析方法。方法采用核磁共振氢谱(^(1)H nuclear magnetic resonance,^(1)H-NMR),以二甲亚砜为内标物,以无水乙醇为对照品,按照单点法确立了定量计算公式,并对多种酒制品进行了测...目的建立核磁氢谱内标法快速测定酒制品中酒精含量的定量分析方法。方法采用核磁共振氢谱(^(1)H nuclear magnetic resonance,^(1)H-NMR),以二甲亚砜为内标物,以无水乙醇为对照品,按照单点法确立了定量计算公式,并对多种酒制品进行了测定。核磁共振氢谱测定参数为:温度25℃,谱宽2~14 ppm,脉冲角度45度,脉冲延迟时间3s,采样时间2s,扫描次数16次。结果在优化的测试条件下,目标物与内标物定量特征峰面积比在1:8~3:1范围内,该方法表现出良好的线性关系(r=0.9998);精密度和重复性实验相对标准偏差(relative standard deviations, RSDs)分别为0.061%和0.35%;样品加标回收率为98.9%~104.3%,平均偏差为2.1%。研究表明,该方法同样适用于水峰压制的情况及对酒制品中其他物质的测定。结论该方法样品需求量小、试剂成本低、结果稳定可靠,是一种简便、快捷的酒精含量检测方法。展开更多
文摘采用氢核磁共振(1H nuclear magnetic resonance,1H NMR)代谢组学技术对酸枣仁、理枣仁以及不同比例的掺伪粉末进行对比,结合多元统计分析建立一种快速鉴别酸枣仁粉末及其掺伪品的方法。主成分分析显示掺伪比例较低的样品与酸枣仁有部分的重叠。偏最小二乘法-判别分析(partial least squares-discriminant analysis,PLS-DA)显示,当掺伪比例不低于40%时,酸枣仁粉和掺伪品沿t[1]轴完全分开。在此基础上,采用PLS对酸枣仁及其不同掺伪比例粉末样品训练集数据进行回归分析,并建立掺伪判别模型。1H NMR与PLS相结合的模型预测结果准确性较高,可实现酸枣仁中理枣仁掺假的快速鉴别。该方法为酸枣仁及含酸枣仁的保健食品、复方制剂质量评价提供了一条新途径。
文摘Background Spinal cord injury （SCI） is a complex trauma that consists of multiple pathological mechanisms involving cytotoxic, oxidation stress and immune-endocrine. This study aimed to establish plasma metabonomics fingerprinting atlas for SCI using 1H nuclear magnetic resonance （NMR） based metabonomics methodology and principal component analysis techniques.Methods Nine Sprague-Dawley （SD） male rats were randomly divided into SCI, normal and sham-operation control groups. Plasma samples were collected for 1H NMR spectroscopy 3 days after operation. The NMR data were analyzed using principal component analysis technique with Matlab software.Results Metabonomics analysis was able to distinguish the three groups （SCI, normal control, sham-operation）. The fingerprinting atlas indicated that, compared with those without SCI, the SCI group demonstrated the following characteristics with regard to second principal component： it is made up of fatty acids, myc-inositol, arginine, very low-density lipoprotein （VLDL）, low-density lipoprotein （LDL）, triglyceride （TG）, glucose, and 3-methyl-histamine.Conclusions The data indicated that SCI results in several significant changes in plasma metabolism early on and that a metabonomics approach based on 1H NMR spectroscopy can provide a metabolic profile comprising several metabolite classes and allow for relative quantification of such changes. The results also provided support for further development and application of metabonomics technologies for studying SCI and for the utilization of multivariate models for classifying the extent of trauma within an individual.
文摘【目的】应用1H谱核磁共振(1H NMR)技术筛选乳热奶牛血清内差异表现的小分子代谢物,从小分子水平和物质、能量代谢的角度探究奶牛发生乳热时其体内的代谢变化。【方法】选取年龄、胎次、体况和泌乳量相近的分娩当天的荷斯坦高产奶牛共32头,根据其血清中钙离子浓度及其有无临床症状分为两组。其中,24头奶牛为健康对照组(Group1,血钙浓度>2.5 mmol·L-1,无其他任何症状)和8头乳热组(Group2,血钙浓度<1.4mmol·L-1,伴有明显乳热临床症状)。32头奶牛分别于清晨饲喂和榨乳前从颈静脉采集血液10 m L,置于离心管中,4℃下以1 500×g离心20 min,将离心得到的血清装入1.5 m L的EP管中,置于-80℃下待测。待样品解冻后,分别从每个EP管中抽取400μL血清,加入200μL缓冲盐溶液,充分混合、离心后,提取550μL上清液置于5mm核磁管中,在500 MHz的核磁共振波谱仪下采集信号。然后利用Topspin和Mest Re Nova等软件将采集到的信号进行傅里叶转换,同时进行调零、校正基线和相位等预处理,去除水峰和尿素峰信号,将一维图谱进行积分分段,并将图谱信息转换为TXT格式文件,以便于后续数据分析,然后使用Chenomx软件进行化合物指认。最后应用SIMCA-P软件对得到的图谱数据进行多元统计分析,包括主成分分析(PCA)和正交修正-偏最小二乘法-判别分析(OSC-PLS-DA),同时结合SPSS软件对核磁数据进行单因素方差分析得到的P值以及Loading图,最终筛选出表现差异的小分子代谢物。【结果】本试验成功得到了乳热组和健康对照组奶牛的血清代谢图谱及差异表达代谢物的Loading图;PCA结果显示每组样品均在95%置信区间内,无需剔除,主成分贡献率较低,其中PC1=26.2%,PC2=16.7%,组间差异变量不能被选择;OSC-PLS-DA结果显示经过5次正交信号修正,与分组无关的变量被去除,组间差异达到最大化;与健康对照组相比,共筛选出9种血清
文摘目的建立基于氢核磁共振(1H nuclear magnetic resonance,1H NMR)结合支持向量机分类模型鉴别蜂蜜植物源的方法。方法采集荆条蜜、油菜蜜、洋槐蜜、葵花蜜4种不同植物源的蜂蜜共计122例样品的谱图信息,分全谱(δ0.10~δ9.50)、脂肪区(δ0.10~δ3.00)、糖类化合物区(δ3.00~δ6.00)、芳香区(δ6.00~δ9.50)4个不同积分区间建立分类模型,结合主成分权值系数筛选特征变量,进一步优化判别模型。结果基于主成分权值系数筛选变量范围δ3.40~δ3.90和δ4.60~δ4.70内共计267个积分变量,以该区域积分变量为输入变量建立的支持向量机分类模型,对训练集的判别正确率为97.53%,对测试集的判别正确率为100%。结论通过主成分权值系数能有效筛选特征变量,减少输入变量的同时提高模型稳健性与准确性,基于氢核磁共振结合支持向量机分类模型能有效鉴别不同植物源蜂蜜。
文摘采用基于核磁共振氢谱（~1H nuclear magnetic resonance,~1H NMR）的代谢组学技术,结合代谢通路分析,对山西老陈醋对大鼠机体代谢组学的影响进行研究。结果表明：给予山西老陈醋后,大鼠的血清和尿液内源性代谢物发生明显变化,其中α-葡萄糖、β-葡萄糖、乳酸、柠檬酸、苹果酸、脂质和马尿酸等代谢物含量变化较大。代谢通路分析发现,山西老陈醋能显著影响大鼠机体的酮体合成与降解、淀粉和蔗糖代谢以及三羧酸循环和丁酸甲酯代谢,这些影响主要与能量代谢、糖代谢、脂肪代谢等过程密切相关。本研究从代谢组学的角度分析了山西老陈醋对大鼠正常机体代谢物的影响,为其抗疲劳、降糖、降脂等保健作用提供了研究依据。
基金financially supported by National Natural Science Foundation of China(No.81473332)
文摘Objective:Xin-Ke-Shu(XKS),a patent drug,used to treat coronary artery diseases in China for many years.Previous research indicates that XKS has similar therapeutic effect as atorvastatin(AS)against atherosclerotic in rabbits.However,biochemical assays demonstrate that XKS could have a different therapeutic mechanism from AS.The aim of this study is to explore the mechanism of XKS therapeutic effect,especially those different from AS.Materials and Methods:~1H nuclear magnetic resonance-based metabonomics were applied to profile the low-molecular-weight polar metabolites in the plasma of rabbits fed a high cholesterol diet.Results:Seven of the eleven pathological biomarkers related to atherosclerosis in rabbits were mediated by XKS treatment,namely low-density lipoprotein/very-low-density lipoprotein LDL/VLDL),lactate,citrate,phosphatidylcholine,glutamine,creatinine,and methionine,as well as two characteristic metabolites of pyruvate and α-glucose.These metabolites involved lipid,energy,and amino acid metabolism,and all could be considered XKS treatment targets.However,AS only affected the metabolic disorders associated with LDL/VLDL and phosphatidylcholine,which is mainly target lipid metabolism.Conclusions:This study indicates that the anti-atherosclerosis effects of AS mainly involve reducing blood–lipid levels,but those of XKS involve a multitargeted activity.
文摘以超高温灭菌乳和复原乳为研究对象,利用1H核磁共振(nuclear magnetic resonance,1H NMR)技术对2种乳中脂肪酸含量进行分析。结果表明:超高温灭菌乳和复原乳中亚麻酸相对含量分别为(0.98±0.11)%、(0.90±0.04)%,亚油酸相对含量分别为(1.15±0.36)%、(1.11±0.36)%,油酸相对含量分别为(27.30±0.56)%、(26.78±0.78)%,饱和脂肪酸相对含量分别为(43.26±1.56)%、(43.81±2.34)%;对2种牛乳脂肪酸的1H NMR谱峰和脂肪酸含量进行正交偏最小二乘法判别分析和独立样本t检验,发现亚麻酸相对含量在2种牛乳间具有显著性差异(P<0.05),并根据结果对2种乳进行营养学评价,对高血脂、高胆固醇等人群而言,超高温灭菌乳比复原乳更合适,2种乳中其他脂肪酸的营养价值相近。
文摘目的建立核磁氢谱内标法快速测定酒制品中酒精含量的定量分析方法。方法采用核磁共振氢谱(^(1)H nuclear magnetic resonance,^(1)H-NMR),以二甲亚砜为内标物,以无水乙醇为对照品,按照单点法确立了定量计算公式,并对多种酒制品进行了测定。核磁共振氢谱测定参数为:温度25℃,谱宽2~14 ppm,脉冲角度45度,脉冲延迟时间3s,采样时间2s,扫描次数16次。结果在优化的测试条件下,目标物与内标物定量特征峰面积比在1:8~3:1范围内,该方法表现出良好的线性关系(r=0.9998);精密度和重复性实验相对标准偏差(relative standard deviations, RSDs)分别为0.061%和0.35%;样品加标回收率为98.9%~104.3%,平均偏差为2.1%。研究表明,该方法同样适用于水峰压制的情况及对酒制品中其他物质的测定。结论该方法样品需求量小、试剂成本低、结果稳定可靠,是一种简便、快捷的酒精含量检测方法。
