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1.发明申请公开(公告)号：US20120318982A1
公开(公告)日：2012-12-20
申请号：US13504977
申请日：2010-10-21
IPC分类号： G01J3/42
CPC分类号： G01N21/3563 , G01N21/274 , G01N21/314 , G01N21/3504 , G01N21/3577 , G01N21/359 , G01N21/552 , G01N21/93 , G01N2021/3133 , G01N2021/3155 , G01N2021/3595 , G01N2201/1293
摘要： The invention refers to the use of a device for determining PAH concentration in a solid state sample, which device comprises a) means for exposing the sample to diffuse reflectance infrared spectroscopy, b) detecting means for recording at least one spectroscopic parameter of infrared diffuse reflection of said sample, which is a signal obtained at one or more frequencies within a range of frequencies (+/−10 cm−1) selected from the group consisting of 3000-3100 cm−1, 740, 777, 814, 842, 1430, 1510, 1600, 4055-4056, 4642-4646, 5924, and 5951-5953 cm−1, and c) computing means for performing data analysis by correlating the at least one spectroscopic parameter with variables of a trained multivariate calibration model related to PAH concentrations, thereby obtaining prediction of PAH concentrations in the sample, and a method of determining a PAH concentration by diffuse reflectance infrared spectroscopy.
摘要翻译： 本发明涉及用于测定固体样品中PAH浓度的装置，该装置包括：a）将样品暴露于漫反射红外光谱的装置，b）用于记录红外漫反射的至少一个光谱参数的检测装置 所述样本是在选自3000-3100cm -1，740,777,814,842,1430的频率（+/- 10cm -1）范围内的一个或多个频率处获得的信号 ，1510,1600,4055-4056,4642-4646,5924和5951-5953cm-1，以及c）用于通过将所述至少一个光谱参数与经训练的多变量校准模型的变量相关联来执行数据分析的计算装置 PAH浓度，从而获得样品中PAH浓度的预测，以及通过漫反射红外光谱法测定PAH浓度的方法。
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公开(公告)号：US20120153160A1
公开(公告)日：2012-06-21
申请号：US13380241
申请日：2010-06-25
CPC分类号： G01N33/2829 , G01N21/314 , G01N21/3563 , G01N21/3577 , G01N21/359
摘要： Disclosed herein is a use and a method for the detection of petroleum hydrocarbon in a sample. The method comprises the steps of subjecting the sample to infrared (IR) radiation, and detecting an IR signal in the range of 1360 cm−1 to 2090 cm−1 and/or 2650 cm−1 to 3000 cm−1 and/or 3700 cm−1 to 4400 cm−1. In a particular application, the invention provides a method for the detection of petroleum hydrocarbon in an environmental sample such as soil, silt, sediment, rock, mineral or waste sample.
摘要翻译： 本文公开了用于检测样品中石油烃的用途和方法。 该方法包括以下步骤：对样品进行红外（IR）辐射，并检测在1360cm -1至2090cm -1和/或2650cm -1至3000cm -1和/或3700nm范围内的IR信号 cm-1至4400cm-1。 在具体应用中，本发明提供了一种在环境样品如土壤，淤泥，沉积物，岩石，矿物或废样品中检测石油烃的方法。
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公开(公告)号：US20120226653A1
公开(公告)日：2012-09-06
申请号：US13497145
申请日：2010-09-24
IPC分类号： G06N7/02
CPC分类号： G01N21/359 , G01N21/3563 , G01N33/241 , G01N2201/129
摘要： Disclosed is a method of selectively predicting hydrocarbon concentration in a sample of unknown hydrocarbon concentration (the unknown sample). The method comprises the steps of: (i) separately subjecting two or more samples of known hydrocarbon concentration to infrared (IR) radiation; (ii) separately detecting an IR signal from the samples of known hydrocarbon concentration; (iii) analysing the IR signals using a multivariate chemometric technique to produce a training data set; (iv) generating a predictive model for hydrocarbon concentration based on the training data set; (v) subjecting the unknown sample to infrared (IR) radiation; (vi) detecting an IR signal from the unknown sample; (vii) applying the predictive model to the IR signal from the unknown sample; and thereafter (viii) selectively predicting hydrocarbon concentration in the unknown sample. Also disclosed is a method for generating a model to selectively predict hydrocarbon concentration in a sample of unknown hydrocarbon concentration and a software program for selectively predicting hydrocarbon concentration from inputted IR signal data of an unknown sample.
摘要翻译： 公开了选择性地预测未知烃浓度的样品中的烃浓度的方法（未知样品）。 该方法包括以下步骤：（i）将已知碳氢化合物浓度的两个或多个样品分别经受红外（IR）辐射; （ii）从已知烃浓度的样品中分别检测IR信号; （iii）使用多变量化学计量技术分析IR信号以产生训练数据集; （iv）基于训练数据集生成烃浓度预测模型; （v）使未知样品经受红外（IR）辐射; （vi）检测来自未知样品的IR信号; （vii）将预测模型应用于来自未知样本的IR信号; （viii）有选择地预测未知样品中的烃浓度。 还公开了一种生成用于选择性地预测未知烃浓度的样品中的烃浓度的模型的方法和用于从未知样品的输入的IR信号数据中选择性地预测烃浓度的软件程序。
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公开(公告)号：US08914312B2
公开(公告)日：2014-12-16
申请号：US13497145
申请日：2010-09-24
CPC分类号： G01N21/359 , G01N21/3563 , G01N33/241 , G01N2201/129
摘要： Method of selectively predicting hydrocarbon concentration in a sample of unknown hydrocarbon concentration, by (i) separately subjecting two or more samples of known hydrocarbon concentration to infrared (IR) radiation, (ii) separately detecting an IR signal from the samples of known hydrocarbon concentration, (iii) analyzing the IR signals using a multivariate chemometric technique to produce a training data set, (iv) generating a predictive model for hydrocarbon concentration based on the training data set, (v) subjecting the unknown sample to infrared (IR) radiation, (vi) detecting an IR signal from the unknown sample, (vii) applying the predictive model to the IR signal from the unknown sample. Thereafter, as step (viii), hydrocarbon concentration in the unknown sample is selectively predicted.
摘要翻译： 通过以下方式选择性地预测未知烃浓度的样品中的烃浓度的方法：（i）将已知烃浓度的两个或多个样品分别经受红外（IR）辐射，（ii）分别检测来自已知烃浓度的样品的IR信号 （iii）使用多变量化学计量技术分析IR信号以产生训练数据集，（iv）基于训练数据集生成烃浓度的预测模型，（v）将未知样品经受红外（IR）辐射 （vi）检测来自未知样品的IR信号，（vii）将该预测模型应用于来自未知样品的IR信号。 此后，作为步骤（viii），选择性地预测未知样品中的烃浓度。
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5.发明授权公开(公告)号：US09134227B2
公开(公告)日：2015-09-15
申请号：US13504977
申请日：2010-10-21
IPC分类号： G01J5/02 , G01N21/3563 , G01N21/27 , G01N21/31 , G01N21/93 , G01N21/3504 , G01N21/3577 , G01N21/359 , G01N21/552 , G01N21/35
CPC分类号： G01N21/3563 , G01N21/274 , G01N21/314 , G01N21/3504 , G01N21/3577 , G01N21/359 , G01N21/552 , G01N21/93 , G01N2021/3133 , G01N2021/3155 , G01N2021/3595 , G01N2201/1293
摘要： Method for determining polycyclic aromatic hydrocarbon (PAH) concentration in a solid state sample. The method includes exposing the sample to diffuse reflectance infrared spectroscopy, recording at least one spectroscopic parameter of infrared diffuse reflection of the sample, which is a signal obtained at one or more frequencies within a range of frequencies (+/−10 cm−1) selected from the group consisting of 3000-3100 cm−1, 740, 777, 814, 842, 1430, 1510, 1600, 4055-4056, 4642-4646, 5924, and 5951-5953 cm−1, and performing data analysis by correlating the at least one spectroscopic parameter with variables of a trained multivariate calibration model related to PAH concentrations, thereby determining PAH concentrations in the sample.
摘要翻译： 确定固态样品中多环芳烃（PAH）浓度的方法。 该方法包括将样品暴露于漫反射红外光谱，记录样品的红外漫反射的至少一个光谱参数，该频谱参数是在频率范围（+/- 10cm -1）内以一个或多个频率获得的信号， 选自3000-3100cm-1,740,777,814,842,1430,1510,1600,4055-4056,4642-4646,5924和5951-5953cm-1，并且通过以下步骤进行数据分析： 将至少一个光谱参数与与PAH浓度相关的经训练的多变量校准模型的变量相关联，从而确定样品中的PAH浓度。
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公开(公告)号：US08759775B2
公开(公告)日：2014-06-24
申请号：US13380241
申请日：2010-06-25
IPC分类号： G01N21/35
CPC分类号： G01N33/2829 , G01N21/314 , G01N21/3563 , G01N21/3577 , G01N21/359
摘要： Method for the selective detection of petroleum hydrocarbon in an environmental sample containing natural organic matter. The method includes subjecting the sample to infrared (IR) radiation, and detecting an IR signal centered on a signal at 1380 cm−1, 2690 cm−1, 2730 cm−1, 2830 cm−1, 2870 cm−1, 4164 cm−1, 4256 cm−1, 4329 cm−1 and/or 4388 cm−1. Detection of the IR signal indicates the presence of petroleum hydrocarbon in said sample.
摘要翻译： 在含有天然有机物质的环境样品中选择性检测石油烃的方法。 该方法包括对样品进行红外（IR）辐射，并检测以1380cm-1,2690cm-1,2730cm-1,2830cm-1,2703cm-1,4164cm的信号为中心的IR信号 -1,2256cm-1,4329cm -1和/或4388cm -1。 IR信号的检测表明所述样品中存在石油烃。
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