公开(公告)号：US07911608B2

公开(公告)日：2011-03-22

申请号：US11664079

申请日：2005-09-30

Applicant: Kenneth W. Busch ,  Dennis H. Rabbe

Inventor： Kenneth W. Busch ,  Dennis H. Rabbe

IPC: G01J3/447

CPC classification number: G01N21/211 ,  G01J3/42

Abstract: A new method and strategy for the quantitative determination of enantiomeric purity that combines polarimetry, spectroscopy, and chemometric modeling. Spectral data is collected after a light beam is passed through a first polarimeter, a sample of a chiral compound, and a second polarimeter oriented at a 45 degree angle relative to the first polarimeter. The spectral data for samples of known enantiomeric composition is subjected to a type of multivariate regression modeling known as partial least squares (“PLS-1”) regression. The PLS-1 regression produces a mathematical model that can be used to predict the enantiomeric composition of a set of samples of unknown enantiomeric purity.

Abstract translation: 用于定量测定对映体纯度的新方法和策略，其结合了偏振光谱，光谱学和化学计量学建模。 在光束通过第一偏振计，手性化合物样品和相对于第一偏振计以45度角定向的第二偏振计之后，收集光谱数据。 对已知对映异构体组合物的样品的光谱数据进行一种称为偏最小二乘法（“PLS-1”）回归的多元回归模型。 PLS-1回归产生一个数学模型，可用于预测未知对映体纯度的一组样品的对映异构体组成。

公开(公告)号：US07365328B2

公开(公告)日：2008-04-29

申请号：US10890942

申请日：2004-07-14

Applicant: Kenneth W. Busch ,  Dennis H. Rabbe

Inventor： Kenneth W. Busch ,  Dennis H. Rabbe

IPC: G01N21/35

CPC classification number: G01N21/274 ,  G01J3/021 ,  G01J3/0232 ,  G01J3/28 ,  G01J2003/2866 ,  G01N21/35 ,  G01N21/3563 ,  G01N21/359

Abstract: A dispersive, diffraction grating, NIR spectrometer that automatically calibrates the wavelength scale of the instrument without the need for external wavelength calibration materials is shown. The device shows: 1) a low power He—Ne laser at right angles to the source beam of the spectrometer; 2) a folding mirror to redirect the collimated laser beam so that it is parallel to the source beam; 3) the tendency of diffraction gratings to produce overlapping spectra of higher orders; 4) a “polka dot” beam splitter to redirect the majority of the laser beam toward the reference detector; 5) PbS detectors and 6) a software routine written in Lab VIEW that automatically corrects the wavelength scale of the instrument from the positions of the 632.8 nm laser line in the spectrum.

Abstract translation: 显示了一种色散衍射光栅，NIR光谱仪，可自动校准仪器的波长范围，无需外部波长校准材料。 该装置显示：1）与光谱仪的源束成直角的低功率He-Ne激光; 2）折叠镜，以使准直激光束重定向成平行于源光束; 3）衍射光栅产生高阶重叠光谱的趋势; 4）一个“波尔卡点”分束器，将大部分激光束重定向到参考探测器; 5）PbS检测器和6）Lab VIEW中编写的软件程序，可自动从波长632.8 nm激光线的位置校正仪器的波长范围。

公开(公告)号：US5246868A

公开(公告)日：1993-09-21

申请号：US415141

申请日：1989-09-29

Applicant: Kenneth W. Busch ,  M. Keith Hudson ,  Marianna A. Busch ,  Sidney W. Kubala, Jr. ,  David C. Tilotta ,  Christopher K. Y. Lam ,  Ravishankar Srinivasan

Inventor： Kenneth W. Busch ,  M. Keith Hudson ,  Marianna A. Busch ,  Sidney W. Kubala, Jr. ,  David C. Tilotta ,  Christopher K. Y. Lam ,  Ravishankar Srinivasan

IPC: G01N21/35 ,  G01N21/71 ,  G01N21/72 ,  G01N30/74

CPC classification number: G01N21/72 ,  G01N21/71 ,  G01N2021/3125 ,  G01N2021/3595 ,  G01N30/74 ,  Y10T436/153333 ,  Y10T436/19 ,  Y10T436/204998 ,  Y10T436/218 ,  Y10T436/235

Abstract: Apparatus and method for qualitatively and quantitatively analyzing infrared emission from excited molecules in samples of interest is disclosed. Over the wavelength interval from 1 to 5 um, two strong emission bands are observed with a PbSe detector when organic compounds are introduced into an hydrogen/air flame. The band at 4.3 um (2326 cm.sup.-1 is due to the asymmetric stretch of carbon dioxide while the band at 2.7 um is due to both water and carbon dioxide emission. The carbon dioxide emission at 4.3 um is most intense at the tip of the flame, and increases with the amount of organic compound introduced into the flame. For chromatographic application, an optical filter can be used to isolate the 4.3 um emission band. The infrared emission detection system finds application in the determination of total inorganic carbon, chloride and available chlorine in aqueous samples. The detector is optimized by use of a dual beam system with background subtraction capabilities thereby eliminating background noise and the fluctuations therein.

Abstract translation: 公开了用于定性和定量分析目标样品中激发分子的红外发射的装置和方法。 在1至5um的波长间隔内，当将有机化合物引入氢气/空气火焰时，用PbSe检测器观察到两个强烈的发射带。 4.3米（2326厘米-1）的带是由于二氧化碳的不对称拉伸，而2.7米的波段是由于水和二氧化碳的排放造成的，二氧化碳排放量在4.3微米处最为强烈 火焰，并且随着引入火焰的有机化合物的量而增加，对于色谱应用，可以使用滤光器隔离4.3um的发射带，红外发射检测系统可用于测定总无机碳，氯化物和 通过使用具有背景消除能力的双光束系统优化检测器，从而消除背景噪声及其中的波动。

公开(公告)号：US20110045598A1

公开(公告)日：2011-02-24

申请号：US12738245

申请日：2008-10-17

Applicant: Kenneth W. Busch ,  Selorm Modzabi ,  Marianna Busch

Inventor： Kenneth W. Busch ,  Selorm Modzabi ,  Marianna Busch

IPC: G01N21/00 ,  G06F19/00

CPC classification number: G01N21/33 ,  G01N21/65 ,  G01N2021/6417 ,  G01N2201/1293

Abstract: A strategy, or method, for the quantitative determination of enantiomeric purity that combines lin situ enantiomer diastereomerization', spectroscopy, and chemometric modeling. Spectral data for samples of known enantiomeric composition is subjected to a type of multivariate regression modeling known as partial least squares (“PLS-I”) regression. The PLS-I regression produces a mathematical model that can be used to predict the enantiomeric composition of a set of samples of unknown enantiomeric purity. In this strategy, the guest-host complexation utilizes improved chiral selector molecules, including chiral amines and chiral alcohols such as phenylethylamine and 1,2-propanediol, that form ion pairs or covalent bonds with the chiral analytes.

Abstract translation: 用于定量测定对映体纯度的策略或方法，其结合了原位对映异构体非对映异构化，光谱学和化学计量学建模。 对已知对映异构体组合物的样品的光谱数据进行一种称为偏最小二乘法（“PLS-I”）回归的多元回归模型。 PLS-I回归产生一个数学模型，可用于预测未知对映体纯度的一组样品的对映异构体组成。 在这种策略中，客体主体络合使用改进的手性选择分子，包括手性胺和手性醇如苯乙胺和1,2-丙二醇，与手性分析物形成离子对或共价键。

公开(公告)号：US20100045969A1

公开(公告)日：2010-02-25

申请号：US12083163

申请日：2006-10-06

Applicant: Kenneth W. Busch ,  Jemina Rose Ingle ,  Marianna Busch

Inventor： Kenneth W. Busch ,  Jemina Rose Ingle ,  Marianna Busch

IPC: G01N21/33 ,  G01N21/65 ,  G01N21/64 ,  G01R33/46

CPC classification number: G01N21/33 ,  G01N21/64 ,  G01N21/65 ,  G01N2021/6417 ,  G01N2201/129

Abstract: A new strategy for the quantitative determination of enantiomeric purity that combines guest-host complexation, spectroscopy, and chemometric modeling. Spectral data for samples of known enantiomeric composition is subjected to a type of multivariate regression modeling known as partial least squares (“PLS-1”) regression. The PLS-1 regression produces a mathematical model that can be used to predict the enantiomeric composition of a set of samples of unknown enantiomeric purity. In this strategy, the concentration of the chiral compound does not have to be fixed or known.

Abstract translation: 用于定量测定对映体纯度的新策略，其结合客体主体络合，光谱学和化学计量学建模。 对已知对映异构体组合物的样品的光谱数据进行一种称为偏最小二乘法（“PLS-1”）回归的多变量回归模型。 PLS-1回归产生一个数学模型，可用于预测未知对映体纯度的一组样品的对映异构体组成。 在该策略中，手性化合物的浓度不必是固定的或已知的。

公开(公告)号：US20100036795A1

公开(公告)日：2010-02-11

申请号：US12083282

申请日：2006-10-11

Applicant: Kenneth W. Busch ,  Christopher B. Davis ,  Marianna Busch

Inventor： Kenneth W. Busch ,  Christopher B. Davis ,  Marianna Busch

IPC: G06F17/10

CPC classification number: G01N21/359 ,  G01N21/3563 ,  G01N2201/129

Abstract: A method for classifying textile samples and unknown fabrics into known categories using spectroscopy, chemometric modeling, and soft independent modeling of class analogies (“SIMCA”). The method involves collecting spectral data, preferably diffuse near infrared reflectance data, for a library of known fabric samples, creating a database of principal component analyses for each type of fabric, and using SIMCA to classify an unknown fabric sample according to the database.

Abstract translation: 使用光谱学，化学计量建模和类别类软件（“SIMCA”）的软独立建模将纺织品样品和未知织物分类成已知类别的方法。 该方法包括收集已知织物样品库的光谱数据，优选扩散近红外反射率数据，为每种类型的织物创建主成分分析数据库，并使用SIMCA根据数据库对未知织物样品进行分类。

公开(公告)号：US08189188B2

公开(公告)日：2012-05-29

申请号：US12083163

申请日：2006-10-06

Applicant: Kenneth W. Busch ,  Jemina Rose Ingle ,  Marianna Busch

Inventor： Kenneth W. Busch ,  Jemina Rose Ingle ,  Marianna Busch

IPC: G01J3/00

CPC classification number: G01N21/33 ,  G01N21/64 ,  G01N21/65 ,  G01N2021/6417 ,  G01N2201/129

Abstract: A new strategy for the quantitative determination of enantiomeric purity that combines guest-host complexation, spectroscopy, and chemometric modeling. Spectral data for samples of known enantiomeric composition is subjected to a type of multivariate regression modeling known as partial least squares (“PLS-1”) regression. The PLS-1 regression produces a mathematical model that can be used to predict the enantiomeric composition of a set of samples of unknown enantiomeric purity. In this strategy, the concentration of the chiral compound does not have to be fixed or known.

Abstract translation: 用于定量测定对映体纯度的新策略，其结合客体主体络合，光谱学和化学计量学建模。 对已知对映异构体组合物的样品的光谱数据进行一种称为偏最小二乘法（“PLS-1”）回归的多变量回归模型。 PLS-1回归产生一个数学模型，可用于预测未知对映体纯度的一组样品的对映异构体组成。 在该策略中，手性化合物的浓度不必是固定的或已知的。

公开(公告)号：US08026483B2

公开(公告)日：2011-09-27

申请号：US12083283

申请日：2006-10-11

Applicant: Kenneth W. Busch ,  Carlos Calleja-Amador ,  Dennis H. Rabbe ,  Marianna Busch

Inventor： Kenneth W. Busch ,  Carlos Calleja-Amador ,  Dennis H. Rabbe ,  Marianna Busch

IPC: G01N21/21

CPC classification number: G01N21/274 ,  G01J3/02 ,  G01J3/0224 ,  G01J3/42 ,  G01N21/21 ,  G01N21/314

Abstract: A method for determining sugar concentration using spectropolarimetry and multivariate regression modeling A set of fixed polarizers are used in association with a spectrometer, which enables the measurement of optical rotation as absorbance values over a range of wavelengths. The adverse effects of color within the samples is corrected by measuring a background level of absorbance that is not due to optical rotation and using this as a baseline. A regression model is then developed for predicting sugar concentration in unknown samples. This method is effective even if the sample is colored.

Abstract translation: 使用分光光度法和多元回归模型确定糖浓度的方法使用一组固定偏振器与光谱仪相关联，这使得能够测量旋光度作为波长范围上的吸光度值。 通过测量不是由于旋光引起的吸光度的背景水平并且将其用作基线来校正样品中颜色的不利影响。 然后开发回归模型，用于预测未知样品中的糖浓度。 即使样品着色，该方法也是有效的。

公开(公告)号：US20080204712A1

公开(公告)日：2008-08-28

申请号：US12150419

申请日：2008-04-28

Applicant: Kenneth W. Busch ,  Dennis H. Rabbe

Inventor： Kenneth W. Busch ,  Dennis H. Rabbe

IPC: G01J3/00

CPC classification number: G01N21/274 ,  G01J3/021 ,  G01J3/0232 ,  G01J3/28 ,  G01J2003/2866 ,  G01N21/35 ,  G01N21/3563 ,  G01N21/359

Abstract: The present invention is a dispersive, diffraction grating, NIR spectrometer that automatically calibrates the wavelength scale of the instrument without the need for external wavelength calibration materials. The invention results from the novel combination of: 1) a low power He—Ne laser at right angles to the source beam of the spectrometer; 2) a folding mirror to redirect the collimated laser beam so that it is parallel to the source beam; 3) the tendency of diffraction gratings to produce overlapping spectra of higher orders; 4) a “polka dot” beam splitter to redirect the majority of the laser beam toward the reference detector; 5) PbS detectors and 6) a software routine written in Lab VIEW that automatically corrects the wavelength scale of the instrument from the positions of the 632.8 nm laser line in the spectrum.

Abstract translation: 本发明是一种分散衍射光栅，NIR光谱仪，可自动校准仪器的波长标度，无需外部波长校准材料。 本发明的结果是：1）与光谱仪的源光束成直角的低功率He-Ne激光器; 2）折叠镜，以使准直激光束重定向成平行于源光束; 3）衍射光栅产生高阶重叠光谱的趋势; 4）一个“波尔卡点”分束器，将大部分激光束重定向到参考探测器; 5）PbS检测器和6）Lab VIEW中编写的软件程序，可自动从波长632.8 nm激光线的位置校正仪器的波长范围。

公开(公告)号：US5696378A

公开(公告)日：1997-12-09

申请号：US618758

申请日：1996-03-20

Applicant: Kenneth W. Busch ,  Arvie J. Kuehn ,  Marianna A. Busch

Inventor： Kenneth W. Busch ,  Arvie J. Kuehn ,  Marianna A. Busch

IPC: G01N21/72 ,  G01N21/35

CPC classification number: G01N21/72

Abstract: A method and apparatus for quantitatively determining chlorine content and fractional abundance of chlorine isotopes in unknown samples. When using this method and apparatus to determine chlorine content, isotope dilution principles may be employed. Chlorine isotopes used for diluting an unknown sample may be .sup.35 Cl or .sup.37 Cl, and relative isotope content in the diluted mixture may be measured using infrared spectrometry.

Abstract translation: 用于定量测定未知样品中氯同位素含氯量和分数丰度的方法和装置。 当使用该方法和装置来测定氯含量时，可以采用同位素稀释原理。 用于稀释未知样品的氯同位素可以是35Cl或37Cl，稀释混合物中的相对同位素含量可以使用红外光谱法测量。