公开(公告)号：US08803080B2

公开(公告)日：2014-08-12

申请号：US12602768

申请日：2008-06-02

Applicant: Yongdong Wang ,  Donald Kuehl

Inventor： Yongdong Wang ,  Donald Kuehl

IPC: B01D59/44

CPC classification number: H01J49/0009 ,  B01D59/44 ,  H01J49/0036

Abstract: Methods for analyzing mass spectral data, include acquiring profile mode mass spectral data containing at least on ion of interest whose elemental composition is determined; obtaining a correct peak shape function based on the actually measured peak shape of at least one of the isotypes of the same ion of interest; generating at least one possible elemental composition for the ion of interest; calculating a theoretical isotope distribution for the elemental composition and a theoretical isotope cluster by applying correct peak shape function to the theoretical isotope distribution; comparing quantiatively the corresponding parts of the theoretical isotope cluster to that from acquired profile mode mass spectral data to obtain at least one of elemental composition determination, classification, or quantitation for the ion. A computer for and a computer readable medium having computer readable code thereon for performing the methods. A mass spectrometer having an associated computer for performing the methods.

Abstract translation: 用于分析质谱数据的方法包括获取包含至少基于其元素组成确定的感兴趣的离子的谱模式质谱数据; 基于相同目的离子的至少一种同种型的实际测量的峰形来获得正确的峰形函数; 为感兴趣的离子产生至少一种可能的元素组合物; 通过对理论同位素分布应用正确的峰形函数，计算元素组成和理论同位素簇的理论同位素分布; 将理论同位素簇的相应部分定量地与获取的轮廓模式质谱数据进行比较，以获得离子的元素组成确定，分类或定量中的至少一种。 一种计算机及其计算机可读介质，其上具有用于执行所述方法的计算机可读代码。 一种具有用于执行该方法的相关计算机的质谱仪。

公开(公告)号：US08278114B2

公开(公告)日：2012-10-02

申请号：US12716219

申请日：2010-03-02

Applicant: Michael Gambini ,  Jeff Levi ,  John Voyta ,  John Atwood ,  Susan Atwood-Stone, legal representative ,  Bruce De Simas ,  Edward Lakatos ,  Israel Metal ,  George Sabak ,  Yongdong Wang

Inventor： Michael Gambini ,  Jeff Levi ,  John Voyta ,  John Atwood ,  Bruce De Simas ,  Edward Lakatos ,  Israel Metal ,  George Sabak ,  Yongdong Wang

IPC: G01N21/76 ,  G01T1/10

CPC classification number: G01N21/763 ,  G01N21/15 ,  G01N21/274 ,  G01N21/276 ,  G01N21/31 ,  G01N21/6452 ,  G01N21/6456 ,  G01N21/6486 ,  G01N21/76 ,  G01N33/581 ,  G01N2021/6471 ,  G01N2333/90241 ,  Y10T436/115831

Abstract: A luminescence detecting apparatus and method for analyzing luminescent samples is disclosed. A detecting apparatus may be configured so that light from luminescent samples pass through a collimator, a a first lens, a filter, and a camera lens, whereupon an image is created by the optics on the charge-coupled device (CCD) camera. The detecting apparatus may further include central processing control of all operations, multiple wavelength filter wheel, and/or a robot for handling of samples and reagents.

Abstract translation: 公开了一种用于分析发光样品的发光检测装置和方法。 检测装置可以被配置为使得来自发光样品的光通过准直仪，第一透镜，滤光器和相机透镜，于是由电荷耦合器件（CCD）照相机上的光学器件产生图像。 检测装置还可以包括用于处理样品和试剂的所有操作，多波长滤光轮和/或机器人的中央处理控制。

公开(公告)号：US20080302957A1

公开(公告)日：2008-12-11

申请号：US12131888

申请日：2008-06-02

Applicant: Yongdong Wang ,  Ming Gu

Inventor： Yongdong Wang ,  Ming Gu

IPC: B01D59/44

CPC classification number: H01J49/0009 ,  B01D59/44 ,  H01J49/0036

Abstract: A method for identify isotope patterns in mass spectral data, comprising obtaining a desired mass spectral peak shape function; obtaining mass spectral data composed of actual isotope patterns to be analyzed; calculating theoretical isotope pattern from known elemental composition of at least one basic ion whose isotope pattern is representative of the ions to be analyzed, by using mass spectral peak shape function; comparing quantitatively corresponding parts of the theoretical isotope pattern to that of the mass spectral data; calculating a numerical metric to measure similarity between the theoretical isotope pattern and actually measured isotope pattern; and utilizing the numerical metric as an indication for possible presence of ions whose isotope patterns resemble that of the basic ion. A computer for and a computer readable medium having computer readable code thereon for performing the methods. A mass spectrometer having an associated computer for performing the methods.

Abstract translation: 一种用于识别质谱数据中的同位素模式的方法，包括获得期望的质谱峰形状函数; 获取由待分析的实际同位素模式组成的质谱数据; 通过使用质谱峰形函数，计算同位素模式代表待分析离子的至少一种碱性离子的已知元素组成的理论同位素模式; 将理论同位素模式的相应部分定量对比于质谱数据; 计算数值度量以测量理论同位素模式与实际测量的同位素模式之间的相似度; 并利用数字度量作为其同位素图案类似于碱性离子的离子的可能存在的指示。 一种计算机及其计算机可读介质，其上具有用于执行所述方法的计算机可读代码。 一种具有用于执行该方法的相关计算机的质谱仪。

公开(公告)号：US20080246956A1

公开(公告)日：2008-10-09

申请号：US12119239

申请日：2008-05-12

Applicant: Yongdong Wang ,  Bernhard H. Radziuk ,  David H. Tracy

Inventor： Yongdong Wang ,  Bernhard H. Radziuk ,  David H. Tracy

IPC: G01N21/00

CPC classification number: G01J3/28 ,  G01J3/42

Abstract: In a spectroscopic process a sample for producing a test spectral line or spectrum of at least one component contained in the sample is stimulated and the transmitted and/or emitted electromagnetic rays are used to create the test spectral line or spectrum. In order to improve such a spectroscopic process to such an extent that variations of certain parameters, which alter the shape and/or occurrence of a spectral line, are compensated, a comparison spectral line or spectrum of a known comparison material is produced under substantially the same parameters as the sample. The comparison spectral line or spectrum is compared with an ideal comparison spectral line or spectrum in order to calculate a transfer function, andthe transfer function is applied to the test spectral line or spectrum in order to calculate a corrected test spectral line or spectrum.

Abstract translation: 在分光过程中，刺激用于产生测试谱线或样品中包含的至少一种组分的光谱的样品，并且使用透射和/或发射的电磁波来产生测试光谱线或光谱。 为了改进这种光谱过程，使得补偿了改变光谱线的形状和/或出现的某些参数的变化，已知比较材料的比较光谱线或光谱基本上在 与样品相同的参数。 将比较谱线或频谱与理想的比较谱线或频谱进行比较，以计算传递函数，并将传递函数应用于测试谱线或频谱，以便计算校正的测试谱线或频谱。

公开(公告)号：US20080237458A1

公开(公告)日：2008-10-02

申请号：US12061595

申请日：2008-04-02

Applicant: Yongdong Wang

Inventor： Yongdong Wang

IPC: B01D59/44 ,  G06F19/00

CPC classification number: H01J49/0009

Abstract: An automated or fully automated mass spectral system and a method of operating the system to identify a sample ion or compound. The system includes at least one computer addressable holder for at least one of standard and sample; at least one mass spectrometer configured to acquire one of continuum, profile, and raw mode mass spectral data; a computer system including a first software component to control introduction of at least one of the sample and the standard, data acquisition, and data analysis; a second software component for performing a mass spectral calibration involving at least m/z value, to report at least one of accurate mass, a list of possible elemental compositions, and a measurement statistic; and a third software component capable of acting on reported result or measurement statistic to change at least one of the introduction of at least one of the sample and the standard, data acquisition, data analysis, reported result, and measurement statistic. A computer readable medium having computer readable program code therein for use in the method or system.

Abstract translation: 一种自动化或全自动化的质谱系统和一种操作该系统来识别样品离子或化合物的方法。 该系统包括用于标准和样品中的至少一个的至少一个计算机可寻址保持器; 至少一个质谱仪被配置为获取连续谱，轮廓和原始模式质谱数据之一; 计算机系统，包括用于控制所述样本和所述标准，数据采集和数据分析中的至少一个的引入的第一软件组件; 用于执行涉及至少m / z值的质谱校准的第二软件组件，以报告精确质量，可能的元素组合的列表和测量统计中的至少一个; 以及能够对所报告的结果或测量统计量进行操作的第三软件组件，以改变至少一个引入样本和标准，数据采集，数据分析，报告结果和测量统计中的至少一个。 一种其中具有用于该方法或系统的计算机可读程序代码的计算机可读介质。

公开(公告)号：US07348553B2

公开(公告)日：2008-03-25

申请号：US11261440

申请日：2005-10-28

Applicant: Yongdong Wang ,  Ming Gu

Inventor： Yongdong Wang ,  Ming Gu

IPC: H01J49/26 ,  B01D59/44 ,  B01D15/08

CPC classification number: H01J49/0036 ,  B01D59/44 ,  H01J49/0009

Abstract: A method for calibrating and analyzing data from a mass spectrometer, comprising the steps of acquiring raw profile mode data containing mass spectral responses of ions with or without isotopes; calculating theoretical isotope distributions for each of at least one calibration ion based on elemental composition; convoluting the theoretical isotope distributions with an initial peak shape function to obtain theoretical isotope profiles for each ion; constructing a peak component matrix including the theoretical isotope profiles for calibration ions as peak components; performing a regression analysis between the raw profile mode mass spectral data and the peak component matrix; and reporting the regression coefficients as the relative concentrations for each of the components. A mass spectrometry system operated in accordance with the method and a computer readable medium having program code thereon for performing the method.

Abstract translation: 一种用于校准和分析来自质谱仪的数据的方法，包括以下步骤：获取包含具有或不具有同位素的离子的质谱响应的原始轮廓模式数据; 基于元素组成计算每个至少一个校准离子的理论同位素分布; 将理论同位素分布与初始峰形函数进行卷积，以获得每个离子的理论同位素分布; 构建包括校准离子的理论同位素分布的峰分量矩阵作为峰分量; 在原始轮廓模式质谱数据和峰分量矩阵之间执行回归分析; 并将回归系数报告为每个组分的相对浓度。 根据该方法操作的质谱系统和其上具有用于执行该方法的程序代码的计算机可读介质。

公开(公告)号：US20080052011A1

公开(公告)日：2008-02-28

申请号：US11830772

申请日：2007-07-30

Applicant: Yongdong Wang ,  Ming Gu

Inventor： Yongdong Wang ,  Ming Gu

IPC: G06F19/00

CPC classification number: H01J49/0036 ,  G01N30/72

Abstract: A method for determining elemental composition of ions from mass spectral data, comprising obtaining at least one mass measurement from mass spectral data; obtaining a search list of candidate elemental compositions whose exact masses fall within a given mass tolerance range from the accurate mass; reporting a probability measure based on a mass error; calculating an isotope pattern for each candidate elemental composition from the search list; constructing a peak component matrix including at least one of the isotope pattern and mass spectral data; performing a regression against at least one of isotope pattern, mass spectral data, and the peak component matrix; reporting a second probability measure for at least one candidate elemental composition based on the isotope pattern regression; and combining the two the probability measures into an overall probability measure. A method for determining elemental isotope ratios from mass spectral data, comprising obtaining measured mass spectral response; specifying the elemental composition of a given ion; specifying the initial isotope ratios for a given element in the ion; calculating the isotope pattern for the ion; constructing a peak component matrix including at least one of the isotope pattern and measured mass spectral response; performing a regression between measured mass spectral response and the peak component matrix; and reporting a regression residual and repeating the isotope pattern calculation, peak component construction, and regression process with updated isotope ratios to minimize this residual.

Abstract translation: 一种用于从质谱数据确定离子的元素组成的方法，包括从质谱数据获得至少一个质量测量; 获得精确质量落在从准确质量的给定质量公差范围内的候选元素组成的搜索列表; 基于质量误差报告概率测量; 从搜索列表中计算每个候选元素组合物的同位素模式; 构建包括所述同位素图案和质谱数据中的至少一个的峰值分量矩阵; 对于同位素模式，质谱数据和峰分量矩阵中的至少一个进行回归; 基于同位素模式回归报告至少一个候选元素组合的第二概率测量; 并将两个概率度量合并为总体概率测度。 一种用于从质谱数据确定元素同位素比率的方法，包括获得测量的质谱响应; 指定给定离子的元素组成; 指定离子中给定元素的初始同位素比; 计算离子的同位素模式; 构建包括所述同位素图案和测量的质谱响应中的至少一个的峰值分量矩阵; 在测量的质谱响应和峰分量矩阵之间进行回归; 并报告回归残差并重复同位素模式计算，峰值分量构造和具有更新同位素比率的回归过程以最小化该残差。

公开(公告)号：US20070295062A1

公开(公告)日：2007-12-27

申请号：US11760667

申请日：2007-06-08

Applicant: Yongdong Wang

Inventor： Yongdong Wang

IPC: G01N30/84 ,  B01D15/10 ,  G01N30/00

CPC classification number: G01N30/463 ,  G01N30/466 ,  G01N30/80 ,  G01N30/82

Abstract: A multi-dimensional separation system having parallel traps for effluent from prior separation dimension and parallel latter separation columns, the latter columns being coupled to the traps. At least one trap enriches components of effluent while at least one other trap is releasing trapped components to a detector, which may be a mass spectrometer. Internal standards may be provided, as in a release solvent, for the calibration of one of the chromatographic columns and the detection system. The system may comprise a multiple channel selector for multiple streams, wherein all of the streams flow at the same time.

Abstract translation: 一种多维分离系统，其具有用于来自先前分离尺寸和平行的后分离柱的流出物的平行捕集器，后者的塔联接到捕集器。 至少一个陷阱丰富了流出物的组分，而至少一个其他捕集器将捕获的组分释放到可以是质谱仪的检测器。 可以提供内部标准，如在释放溶剂中，用于校准色谱柱和检测系统之一。 该系统可以包括用于多个流的多信道选择器，其中所有流同时流动。

公开(公告)号：US07251085B2

公开(公告)日：2007-07-31

申请号：US11460932

申请日：2006-07-28

Applicant: Dar Bahatt ,  Jerry E. Cahill ,  Koichi Nishikida ,  Enrico G. Picozza ,  Paul G. Saviano ,  David H. Tracy ,  Yongdong Wang

Inventor： Dar Bahatt ,  Jerry E. Cahill ,  Koichi Nishikida ,  Enrico G. Picozza ,  Paul G. Saviano ,  David H. Tracy ,  Yongdong Wang

IPC: G02B27/00 ,  G01N21/55 ,  C12M3/00

CPC classification number: G01N21/7703 ,  G01N21/553

Abstract: An optical resonance analysis system comprising a sensor means (60) and an illumination means (400) for generating non-monochromatic illumination. The illumination means (400) further comprises a means for generating illumination at a plurality of angles, a lens system for projecting said illumination at said plurality of angles (390) and a dispersive device (380) for dispersing said illumination at each of said plurality of angles so that there is a correlation between said plurality of angles and the wavelengths of said illumination such that a resonance condition is generated on said sensor mean (60) for all wavelengths generated by said non-monochromatic source simultaneously. The analysis system also comprises a detection means (90) for detecting the reflected or transmitted illumination. Another embodiment comprises an anamorphic imaging means (120).

Abstract translation: 一种光学共振分析系统，包括传感器装置（60）和用于产生非单色照明的照明装置（400）。 照明装置（400）还包括用于以多个角度产生照明的装置，用于以所述多个角度（390）投射所述照明的透镜系统和用于将所述照明分散在所述多个角度的分散装置（380） 的角度，使得在所述多个角度和所述照明的波长之间存在相关性，使得对于由所述非单色源同时产生的所有波长的所述传感器平均值（60）产生共振条件。 分析系统还包括用于检测反射或透射照明的检测装置（90）。 另一实施例包括变形成像装置（120）。

公开(公告)号：US20070136017A1

公开(公告)日：2007-06-14

申请号：US10576564

申请日：2004-10-20

Applicant: Yongdong Wang ,  Ming Gu

Inventor： Yongdong Wang ,  Ming Gu

IPC: G06F19/00

CPC classification number: G06K9/00496 ,  H01J49/0009 ,  H01J49/0027

Abstract: A method for obtaining at least one calibration filter for a Mass Spectrometry (MS) instrument system. Measured isotope peak cluster data in a mass spectral range is obtained for a given calibration standard. Relative isotope abundances and actual mass locations of isotopes corresponding thereto are calculated for the given calibration standard. Mass spectral target peak shape functions centered within respective mass spectral ranges are specified. Convolution operations are performed between the calculated relative isotope abundances and the mass spectral target peak shape functions to form calculated isotope peak cluster data. A deconvolution operation is performed between the measured isotope peak cluster data and the calculated isotope peak cluster data after the convolution operations to obtain the at least one calibration filter. Provisions are made for normalizing peak widths, combining internal and external calibration, and using selected measured peaks as standards. Aspects of the methods are applied to other analytical instruments.

Abstract translation: 一种用于获得用于质谱（MS）仪器系统的至少一个校准滤波器的方法。 对于给定的校准标准，获得质谱范围内的测量同位素峰聚类数据。 对于给定的校准标准，计算与之对应的同位素的相对同位素丰度和实际质量位置。 规定了在各个质谱范围内的质谱目标峰形函数。 在所计算的相对同位素丰度和质谱目标峰形状函数之间进行卷积运算，以形成计算的同位素峰集群数据。 在卷积运算之后，在所测量的同位素峰集群数据与计算出的同位素峰集群数据之间进行解卷积运算，以获得至少一个校准滤波器。 规定峰值宽度归一化，组合内部和外部校准，并使用选定的测量峰值作为标准。 方法的各个方面适用于其他分析仪器。