Abstract: A separation device is formed of a first tube with a cylindrical wall enclosing a chamber having a first diameter, where the device has a first end for discharging a fluid and a second end for receiving a fluid. At least two stationary phase medias are packed into the chamber with separating frits between the medias. At least one end frit element, secured to an inner surface of the first tube contains the media in its section of the chamber and allows the beds formed of the media to be formed and packed. When the separation device so constructed forms a nanocolumn with a guard bed, the guard bed may be cleaved from the separation device extending the useful life of the nanocolumn. When the separation device so constructed comprises two analytical sections, and a plurality of guard beds, complex analysis may be performed on a column having an extended useful life.

Abstract: Nanocolumn chromatography devices useful, e.g., in CEC and nanoLC are disclosed. An exemplary chromatography device of the invention includes a nanocolumn, e.g., a capillary, packed with a particulate stationary phase material and a solid support. The solid support, or in situ frit, is adjacent to and integral with the stationary phase material. An in situ frit of the invention may be a mixture of the stationary phase material and a polymeric network of cross-linked poly(diorganosiloxane), e.g., poly(dimethylsiloxane), which may optionally be sintered. The invention also provides methods of making and using such devices.

Abstract: Chromatograms and mass spectra produced by an LC/MS system are analyzed by creating a two-dimensional data matrix of the spectral and chromatographic data. The two-dimensional matrix can be created by placing the spectra generated by the mass spectrometer portion of the LC/MS system in successive columns of the data matrix. In this way, the rows of the data matrix correspond to chromatographic data and the columns of the data matrix correspond to the spectra. A two-dimensional filter is specified and applied to the data matrix to enhance the ability of the system to detect peaks associated with ions. The two-dimensional filter is specified according to desired criteria. Rank-1 and rank-2 filters can be specified to improve computational efficiency. One method of applying the two-dimensional filter is through convolution of the data matrix with the two-dimensional filter to produce an output data matrix. Peaks corresponding to detected ions are identified in the output data matrix.

Abstract: A method of rapidly analyzing unexpected metabolites in a metabolite analyzing system is disclosed. A control sample is run and analyzed to generate an exclusion list of unwanted sample components. A single analyte sample is then run and programmatically uses the exclusion list containing the unwanted metabolites to dynamically filter out data regarding components present in both the control sample and the analyte sample. The remaining components in the analyte sample are analyzed for unexpected metabolites of interest. The present invention allows for the analysis to be automated and eliminates the need for a second analyte sample run for the purpose of eliminating common components in the samples.

Abstract: Disclosed herein is a method of analyzing three-dimensional data obtained from a chromatography/spectrometry process, in particular an LC/MS process using a two-dimensional multi-variant statistical analysis. The LC portion permits separation of analytes within a sample. The information obtained from such a procedure typically depends on retention time (Rt). As the analytes progress through the system, they enter the MS region of the LC/MS system. There they are ionized and a mass detector then detects these ionized species. The information procured from this procedure is generally reported as intensity for a corresponding m/z value. Therefore, an LC/MS system provides at least three pieces of information. Principle component analysis (PCA) is a robust method of multi-variant analysis of this type of data between different samples. However, typically, PCA analysis is performed using only two-dimensional data.

Abstract: Mass intensity values, isotopic ratios and exact mass differences between isotopes may be obtained and analyzed to determine if there are one or more masses of interest. In one implementation, a method will look among the mass intensity values for peaks of interest. The mass intensity values, representative of isotopic signatures, will be compared to a criteria in order to determine which of the masses are of interest. Although the invention is not so limited, examples of such criteria include mass intensity values above a specified threshold, within a certain ratio of another mass intensity value, and/or separation between the masses themselves. Optionally, a tolerance may be applied to the criteria. If masses are found to be of interest, MS/MS can automatically be triggered for one or all of the masses of interest, when an analyzing system such as an LC-MS-MS, GC-MS-MS or MALDI-MS-MS system is used.

Abstract: Chromatography and solid phase extraction devices having immobilized stationary phases are disclosed. An exemplary device of the Invention includes a column or cartridge packed with a mixture of a particulate stationary phase material and a polymeric network of Cross-linked poly(diorganosiloxane), e.g., poly(dimethylsiloxane). The Invention also provides methods of making and using such devices.

Abstract: A separation device is formed of a first tube with a cylindrical wall enclosing a chamber having a first diameter, where the device has a first end for discharging a fluid and a second end for receiving a fluid. At least two stationary phase medias are packed into the chamber with separating frits between the medias. At least one end frit element, secured to an inner surface of the first tube contains the media in its section of the chamber and allows the beds formed of the media to be formed and packed. When the separation device so constructed forms a nanocolumn with a guard bed, the guard bed may be cleaved from the separation device extending the useful life of the nanocolumn. When the separation device so constructed comprises two analytical sections, and a plurality of guard beds, complex analysis may be performed on a column having an extended useful life.

Abstract: Disclosed herein is an apparatus designed to prevent cross-contamination of a fluid along the surface of a platform like a laser desorption target or multi-well plate. In particular, the apparatus comprises a cover slip that is disposed in apposition to the platform. This cover slip has an upper surface and a lower surface, wherein the lower surface is in apposition to the platform. Optionally, the cover slip has one or more defined orifices that extend from the upper surface through to the lower surface such that fluid communication is maintained from the upper surface of the cover slip to the surface of the platform interfacing with the lower surface of the cover slip.

Abstract: Mass intensity values, isotopic ratios and exact mass differences between isotopes may be obtained and analyzed to determine if there are one or more masses of interest. In one implementation, a method will look among the mass intensity values for peaks of interest. The mass intensity values, representative of isotopic signatures, will be compared to a criteria in order to determine which of the masses are of interest. Although the invention is not so limited, examples of such criteria include mass intensity values above a specified threshold, within a certain ratio of another mass intensity value, and/or separation between the masses themselves. Optionally, a tolerance may be applied to the criteria. If masses are found to be of interest, MS/MS can automatically be triggered for one or all of the masses of interest, when an analyzing system such as an LC-MS-MS, GC-MS-MS or MALDI-MS-MS system is used.

Abstract: A method of programmatically reducing a set of collected LC-MS or LC-MS/MS data such that true chromatographic and MS peaks are identified for use in Metabonomics is disclosed. The identified peaks are used to create a list of LC/MS, GC/MS, DIOS-MS or MALDI-MS signals and responses for a batch of samples which appear in a Master Entity List. The samples in the Master Entity List are then subjected to isotope de-clustering and adduct removal prior to chemometrics being applied to automatically identify biomarkers. An LC-MS/MS or LC/MS, GC/MS, DIOS-MS or MALDI-MS acquisition list is generated for the signals identified as responsible for the PLS-DA or PCA separation. The LC or GC retention time, exact mass and MS/MS spectrum may be compared to databases of known compounds and identified compounds associated with biological parameters may be stored in a new compound database.

Abstract: Nanocolumn chromatography devices useful, e.g., in CEC and nanoLC are disclosed. An exemplary chromatography device of the invention includes a nanocolumn, e.g., a capillary, packed with a particulate stationary phase material and a solid support. The solid support, or in situ frit, is adjacent to and integral with the stationary phase material. An in situ frit of the invention may be a mixture of the stationary phase material and a polymeric network of cross-linked poly(diorganosiloxane), e.g., poly(dimethylsiloxane), which may optionally be sintered. The invention also provides methods of making and using such devices.

Abstract: A method of rapidly analyzing unexpected metabolites in a metabolite analyzing system is disclosed. A control sample is run and analyzed to generate an exclusion list of unwanted sample components. A single analyte sample is then run and programmatically uses the exclusion list containing the unwanted metabolites to dynamically filter out data regarding components present in both the control sample and the analyte sample. The remaining components in the analyte sample are analyzed for unexpected metabolites of interest. The present invention allows for the analysis to be automated and eliminates the need for a second analyte sample run for the purpose of eliminating common components in the samples.

Abstract: Disclosed herein are an apparatus and method for effectuating increased chromatographic efficiency in a capillary column by employing a retaining frit disposed within an analytical capillary. By disposing the retaining frit within the analytic capillary, the void volume is significantly minimized. The columns and methods described herein produce a simplified analytical capillary and retaining frit apparatus that provides greater chromatographic efficiency. Additionally, the column of the instant invention maintains chromatographic fidelity by reducing the transfer diameter as well as facilitating fluidic connections in situ.

Abstract: Embodiments of the present invention provide methods and apparatus for comparing the proteome and or metabonome of an organism or culture to standard values, over time, or after a change has taken place, a pertubation, with respect to the organinsm or culture.

Abstract: Disclosed herein is a method of analyzing three-dimensional data obtained from a chromatography/spectrometry process, in particular an LC/MS process using a two-dimensional multi-variant statistical analysis. The LC portion permits separation of analytes within a sample. The information obtained from such a procedure typically depends on retention time (Rt). As the analytes progress through the system, they enter the MS region of the LC/MS system. There they are ionized and a mass detector then detects these ionized species. The information procured from this procedure is generally reported as intensity for a corresponding m/z value. Therefore, an LC/MS system provides at least three pieces of information. Principle component analysis (PCA) is a robust method of multi-variant analysis of this type of data between different samples. However, typically, PCA analysis is performed using only two-dimensional data.