Molecular Structure Or Composition Determination Patents (Class 702/27)
  • Publication number: 20140260536
    Abstract: A system includes a gas chromatograph configured to determine experimental chromatographic data including retention times associated with samples. The system also includes a mass spectrometer configured to determine experimental mass spectral data associated with samples. The mass spectrometer can include a quadrupole field ion trap that uses a non-classical detection technique. The system. determines a retention index for an unknown sample based upon retention times for a calibration sample and the unknown sample, and identifies reference mass spectral data using the retention index. The reference mass spectral data can include spectra measured using a classical detection technique. The system can compare the experimental mass spectral data to the reference mass spectral data using one or more comparison metrics, such as a percent fragment match and/or a variance match. A score can be determined to identify the unknown sample using one or more of the metrics.
    Type: Application
    Filed: March 14, 2014
    Publication date: September 18, 2014
    Applicant: Smiths Detection Inc.
    Inventors: Charles S. Sadowski, Greger Andersson, Kevin Judge
  • Patent number: 8831889
    Abstract: A system and method of validating differences between measured values of fluorescence intensities obtained from a fluorescence-based instrument, including: generating calibration histograms for calibration beads run through the instrument; calibrating a distance function configured to measure distances between the histograms by: constructing a metric using the distance function, which includes a bin-to-bin dissimilarity matrix; and populating the dissimilarity matrix to maximize the following conditions: (A) the distance function of two histograms representing two sets of different beads equals the difference of their MESF values; and (B) the distance function of two histograms representing fluorescence of two sets of identical beads is zero; applying the metric to flow cytometry histograms generated for biological samples, to determine distances between the histograms; constructing a statistical test using the metric to determine a statistical significance of the distances; and determining whether the histog
    Type: Grant
    Filed: March 31, 2009
    Date of Patent: September 9, 2014
    Assignee: Purdue Research Foundation
    Inventors: Bartlomiej P. Rajwa, Tytus S. Bernas, Joseph P. Robinson
  • Patent number: 8829430
    Abstract: A method is provided for calibrating mass-to-charge ratio measurements obtained from a time-of-flight mass spectrometer used as a detector for a chromatographic system. The method can include introducing a calibrant material into the time-of-flight mass spectrometer after a sample is introduced to the chromatographic system, but before the analysis of the sample is complete, such that calibrant material and sample material are not present at the ion source of the mass spectrometer, contemporaneously. The method can include acquiring a multiplicity of mass spectra of the calibrant material during an analytical run, and in some embodiments, calculating a multiplicity of mass calibrations on the basis of mass spectra obtained from the calibrant material introduced during the analytical run.
    Type: Grant
    Filed: February 25, 2011
    Date of Patent: September 9, 2014
    Assignee: Zoex Corporation
    Inventor: Edward B. Ledford, Jr.
  • Patent number: 8831888
    Abstract: A method of characterizing a sample from spectrometric data using calculation of spectral distance values is disclosed, for use in the field of mass spectrometry. Molecular formula assignment of peaks in mass spectral data is difficult and time-consuming, and the invention provides a computer implemented method of finding a most likely elemental composition of a measured spectral peak of interest. The method analyzes isotopic peaks in a portion of the spectrum, using both their mass positions and intensities, to determine a spectral distance between those peaks and isotopic peaks of a candidate composition, finding peaks that match (140). A pattern spectral distance is determined (150) to provide a measure of the correspondence between a set of those peaks in the measured spectrum and peaks of each of a number of candidate compositions. The spectral fit is used to determine a most likely candidate composition.
    Type: Grant
    Filed: May 26, 2009
    Date of Patent: September 9, 2014
    Assignee: Thermo Fisher Scientific (Bremen) GmbH
    Inventor: Hans Pfaff
  • Patent number: 8828728
    Abstract: An aquatic environment monitoring system and method that includes correction for adverse conditions in the monitoring system involving the development of confidence levels for certain conditions in the monitoring system using stored information related to the aquatic environment and/or the monitoring system. Corrections to adverse conditions may be made by the environment monitoring system automatically by the monitoring system and manually via communications to a user of the system.
    Type: Grant
    Filed: December 13, 2012
    Date of Patent: September 9, 2014
    Assignee: Step Ahead Innovations, Inc.
    Inventor: James E. Clark
  • Publication number: 20140249765
    Abstract: Based on the m/z of a precursor ion used in an MS2 analysis of a test sugar chain, a plurality of sugar-chain structure candidates are extracted from a sugar-chain database in which various sugar-chain structures are related to m/z (S2). Product ions that can be generated by cutting one sugar-chain bond are calculated for each sugar-chain structure candidate (S3). For each combination of two sugar-chain structure candidates, the product ions of one candidate are compared with those of the other to extract characteristic product ions for each sugar-chain structure candidate, and their m/z values are calculated (S4). Whether or not an MS2 spectrum of the test sugar chain has a peak located at m/z of any of the characteristic product ions is determined, and based on the determination result, the sugar-chain structure candidates are narrowed down (S5) and the obtained result is shown on a display unit (S6).
    Type: Application
    Filed: January 29, 2014
    Publication date: September 4, 2014
    Applicant: Shimadzu Corporation
    Inventor: Kentaro MORIMOTO
  • Patent number: 8825214
    Abstract: A method is provided for the measurement of parameters of a gas present in a gas turbine combustion chamber. The method includes tuning a laser to a range containing the absorption lines of species to be analyzed in the gas, and directing the laser light through the combustion chamber and detecting laser light reflected off boundary walls of the combustion chamber. In order to analyze the absorption spectrum measured at high temperatures and pressures, a signature recognition algorithm is applied to the spectrum. The measured absorption spectrum is cross-correlated with a calibration absorption model spectrum for the absorption lines at several temperatures, pressures, and concentrations generated prior to the measurement. Values for pressure, temperature, and concentrations of selected species in the gas are determined simultaneously allowing direct control of the combustion chamber process. An apparatus for carrying out the method is also provided.
    Type: Grant
    Filed: November 18, 2011
    Date of Patent: September 2, 2014
    Assignee: Alstom Technology Ltd.
    Inventor: Ken Yves Haffner
  • Patent number: 8818737
    Abstract: Methods, systems, algorithms and means for describing, analyzing and predicting protein folding motifs and other structures are provided. In one aspect, the Protein Folding Shape Code (PFSC) methods, systems, algorithms and means of the present invention apply generally to all of the categories of protein analysis and description, and are especially relevant to the geometric analysis and descriptions of proteins from their respective sequences or sequence portions. In a novel approach, the present inventions render analysis with respect to the alpha carbons of five-amino acid elements of a protein, utilizing available data to derive torsion angles and pitch distances, to thereby generate a series of overlapping analysis that can be expressed by a plurality of 27 vectors.
    Type: Grant
    Filed: January 30, 2008
    Date of Patent: August 26, 2014
    Assignee: Sundia Meditech Company, Ltd.
    Inventor: Jiaan Yang
  • Patent number: 8805622
    Abstract: A field-based similarity search system includes an input device which inputs a query molecule, and a processor which partitions a conformational space of the query molecule into a fragment graph including an acyclic graph including plural fragment nodes connected by rotatable bond edges, computes a property field on fragment pairs of fragments of the query molecule from the fragment graph, the property field including a local approximation of a property field of the query molecule, constructs a set of features of the fragment pairs based on the property field, the features including a set of local, rotationally invariant, and moment-based descriptors generated from all conformations of the fragment graph of the query molecule, and weights the descriptors according to importance as perceived from a training set of descriptors to generate a context-adapted descriptor-to-key mapping which maps the set of descriptors to a set of feature keys.
    Type: Grant
    Filed: August 29, 2012
    Date of Patent: August 12, 2014
    Assignee: International Business Machines Corporation
    Inventors: Michael C. Pitman, Blake G. Fitch, Hans W. Horn, Wolfgang Huber, Julia E. Rice, William C. Swope
  • Patent number: 8805621
    Abstract: Provided is an apparatus and method for comparing a protein structure, which can search a protein similar to an inquiry protein in a 3D protein database in real time by describing a feature of a protein structure by using a three-dimensional (3D) relative directional angle (RDA) and a Fourier descriptor. The apparatus includes: a 3D RDA coder configured to code a 3D RDA of a target protein data or an inquiry protein data inputted from the outside; a Fourier transformer configured to obtain Fourier coefficients by Fourier transforming 3D RDA coding values coded by the 3D RDA coder; a comparator configured to compare the obtained Fourier coefficient of the target protein data with the obtained Fourier coefficient of the inquiry protein data; and a data generator configured to output protein data in order from high similarity to low similarity according to the comparison result of the comparator.
    Type: Grant
    Filed: October 30, 2007
    Date of Patent: August 12, 2014
    Assignee: Electronics and Telecommunications Research Institute
    Inventors: Chan-Yong Park, Sung-Hee Park, Dae-Hee Kim, Soo-Jun Park, Seon-Hee Park
  • Patent number: 8803083
    Abstract: A method of determining the mass-to-charge ratios of ions in a sample is disclosed. The method includes determining a data acquisition time, where the data acquisition time is a predetermined fraction of the greatest time of flight. The method also includes providing ions from a continuous beam of a sample to a time-of-flight mass analyzer at pulse intervals having a duration equal to the predetermined fraction of the greatest flight time. The method also includes measuring a peak width and a flight time value for each of the ion species in the sample after summing the data acquired during several pulse intervals and correcting the measured flight time values according to a correlation of measured peak width values with calibration data of peak width versus flight time.
    Type: Grant
    Filed: November 21, 2012
    Date of Patent: August 12, 2014
    Assignee: Agilent Technologies, Inc.
    Inventor: Noah Goldberg
  • Patent number: 8803079
    Abstract: An apparatus for elemental analysis of particles such as single cells or single beads by mass spectrometry is described. The apparatus includes means for particle introduction; means to vaporize, atomize and ionize elements associated with a particle; means to separate the ions according to their mass-to-charge ratio; means to detect the separated ions, means to digitize the output of the means to detect the ions; means to transfer and/or to process and/or record the data output of the means to digitize, having means to detect the presence of a particle in a mass spectrometer; and means to synchronize one of the means for ion detection, data digitization, transfer, processing and recording with the means to detect the presence of a particle. Methods and computer readable code implementing aspects of the apparatus, and for reducing the rates of data generation, digitization, transfer, processing and recording are also described.
    Type: Grant
    Filed: May 22, 2013
    Date of Patent: August 12, 2014
    Assignee: Fluidigm Canada Inc.
    Inventors: Alexei Antonov, Dmitry Roman Bandura
  • Publication number: 20140220704
    Abstract: The present invention provides devices and articles of manufacture comprising a low-voltage operable, highly sensitive, and selectively responsive polymer for the detection of nitroaromatic compounds, including explosives. Resistive devices were fabricated by simple spin-coating on flexible and transparent substrates as well as silicon substrates, and were stable under ambient temperature and oxygen levels before exposure to the nitroaromatics. After exposure to 2,4,6-trinitrotoluene (TNT), the devices showed increased conductance, even with pg quantities of TNT, accompanied by a confirming color change from colorless to deep red. The relative conductance increase per unit exposure is the highest yet reported for TNT. Aromatic anion salts, on the other hand, did not induce any electronic responses. Methods of making the articles and devices, and their use are also provided.
    Type: Application
    Filed: August 3, 2012
    Publication date: August 7, 2014
    Applicant: The Johns Hopkins University
    Inventors: Howard Edan Katz, Hoyoul Kong, Sun Jia, Jasmine Sinha
  • Patent number: 8798939
    Abstract: The present invention includes a crystal comprising a complex of the pro form of a matrix metalloprotease (proMMP) and a small-molecule allosteric processing inhibitor that inhibits that activation of the proMMP, methods for identifying small-molecule allosteric processing inhibitors that inhibit the activation of a proMMP, and methods of treatment using small-molecule allosteric processing inhibitors that inhibit the activation of a proMMP. The present invention relates to the crystal structure of a complex of proMMP9 bound to a small-molecule allosteric processing inhibitor that inhibits activation of proMMP9. The invention further relates to the use of the methods and the crystal and related structural information for designing, selecting and/or optimizing small-molecule allosteric processing inhibitors that inhibit activation of proMMP9 and proMMP9 homologues.
    Type: Grant
    Filed: June 26, 2012
    Date of Patent: August 5, 2014
    Assignee: Janssen Pharmaceutica N.V.
    Inventors: Kristi A. Leonard, Richard Scott Alexander, Joseph Kent Barbay, Roger F. Bone, Ingrid Christa Deckman, Paul F. Jackson, Lawrence C. Kuo, Frank A. Lewandowski, Diane M. Maguire, Cynthia M. Milligan, Kenneth J. Rhodes, Robert H. Scannevin, Celine Schalk-Hihi, Barry Springer, John C. Spurlino, Matthew J. Todd, Brett A. Tounge, Aihua Wang
  • Publication number: 20140214338
    Abstract: The present disclosure relates to an apparatus and a method for analyzing side chains of a polymer. More specifically, the present disclosure relates to an apparatus and a method for analyzing the number of side chains of a polymer.
    Type: Application
    Filed: May 15, 2013
    Publication date: July 31, 2014
    Inventors: Seung Yup Lee, Hye Sung Cho, Jin Sook Ryu
  • Patent number: 8791701
    Abstract: Electromagnetic proximity detection method for a buried structure executed with a mobile detection device, including sensing an electromagnetic field emitted from the structure as an analog electrical signal and digitalizing the analog electrical signal as a digital signal, performed after or while filtering the analog and/or digital signal. The proximity of the buried structure is determined by analyzing the digital signal, wherein the detection method can be alternatively executed in at least two of the following modes of detection: Power-Mode of detection, Radio-Mode of detection or Active-Mode of detection. An additional Switching-Mode of operation includes a repeated sequential detection in at least two of the mentioned modes of detection and is done by automatic subsequent alternating of the mode of detection with a minimum rate of alternation that an area of detection is coverable by the at least two modes of detection in a single execution of the detection method.
    Type: Grant
    Filed: February 24, 2011
    Date of Patent: July 29, 2014
    Assignee: Leica Geosystems AG
    Inventors: Simon Branson, Ping Wang
  • Patent number: 8793078
    Abstract: The present invention provides a method for constructing a database of atomic fingerprint descriptors. The invention provides a method for predicting activation energy using an atomic fingerprint descriptor and an atomic descriptor, the method comprising the steps of: (i) calculating the atomic fingerprint descriptor of a substrate; (ii) comparing the calculated atomic fingerprint descriptor with the constructed atomic fingerprint descriptor database to select an atomic position where cytochrome P450-mediated metabolism occurs; and (iii) predicting activation energy for the selected atomic position using an atomic descriptor. Also, the invention provides a method of predicting the activation energy of CYP450-mediated phase I metabolism using effective atomic descriptors.
    Type: Grant
    Filed: October 20, 2011
    Date of Patent: July 29, 2014
    Assignee: Bioinformatics & Molecular Design Research Center
    Inventors: Ky Youb Nam, Kyoung Tai No, Doo Nam Kim, Won Seok Oh, Sung Kwang Lee, Ji Hoon Jung, Kwang Hwi Cho, Chang Joon Lee
  • Patent number: 8775090
    Abstract: Provided herein are crystalline forms of a human IgG Fc variant comprising triple-mutation M252Y/S254T/T256E that provides for increased binding affinity to human neonatal Fc receptor, methods of obtaining such crystals and high-resolution X-ray diffraction structures and atomic structure coordinates. Also provided are machine readable media embedded with the three-dimensional atomic structure coordinates of the human IgG Fc variant and methods of using them.
    Type: Grant
    Filed: December 10, 2009
    Date of Patent: July 8, 2014
    Assignee: MedImmune, LLC
    Inventors: Vaheh Oganesyan, William F. Dall'Acqua, Herren Wu
  • Publication number: 20140180603
    Abstract: The invention pertains, at least in part, to a method for determining the structure of an amphiphilic molecule using Self-Similar Microstructure Arrays.
    Type: Application
    Filed: October 15, 2013
    Publication date: June 26, 2014
    Inventor: Fatemeh Mojtabai
  • Patent number: 8762119
    Abstract: A method, a system and an apparatus for predicting and/or recognizing and/or classifying biological sequences, specially sequence families with binding site recognition motifs poorly conserved, comprising, advantageously, the use of neural networks rules; providing enhanced and more accurate results; and is preferably used when the biological sequence is a promoter.
    Type: Grant
    Filed: August 12, 2010
    Date of Patent: June 24, 2014
    Assignee: Universidade de Caxias do Sul
    Inventors: Scheila de Avila e Silva, Sergio Echeverrigaray Laguna, Gunther Johannes Lewezuk Gerhardt
  • Patent number: 8762074
    Abstract: The present invention provides a method of determining the optimal composition of a serum-free, eukaryotic cell culture medium supplement, using 2-level factorial design and the steepest ascent method. The invention further provides a method of making a serum-free eukaryotic cell culture medium supplement and the generated thereof. The invention further provides a method of making a serum-free, eukaryotic cell culture medium and the medium generated thereof. The invention further provides a kit containing the medium of the invention. The invention also provides a method of expanding CD34<+> hematopoietic cells and a composition comprising CD34<+> hematopoietic cells in a serum-free, eukaryotic cell culture medium of the invention.
    Type: Grant
    Filed: May 10, 2012
    Date of Patent: June 24, 2014
    Assignee: Sino-Cell Technologies
    Inventors: Shiaw-Min Hwang, Chi-Hsien Liu, Chao-Ling Yao, I-Ming Chu, Tzu-Bou Hsieh
  • Patent number: 8754364
    Abstract: A mass spectrometer is disclosed wherein an ion signal is split into a first and second signal. The first and second signals are multiplied by different gains and are digitised. Arrival time and intensity pairs are calculated for both digitised signals and the resulting time and intensity pairs are combined to form a high dynamic range spectrum. The spectrum is then combined with other corresponding spectra to form a summed spectrum.
    Type: Grant
    Filed: January 10, 2013
    Date of Patent: June 17, 2014
    Assignee: Micromass UK Limited
    Inventors: Martin Raymond Green, Steven Derek Pringle, Jason Lee Wildgoose
  • Publication number: 20140149051
    Abstract: An evaluating apparatus for a pattern includes a FP preparing part preparing a target FP at a specific detection wavelength from a 3D chromatogram of a multicomponent material being an evaluation target, a peak pattern preparing part preparing a peak pattern for each peak of the target reference FPs that comprises n+1 peaks including n peaks being present on at least one of sides located in front and in the rear of each peak in a time axis direction, a peak assigning part specifying the corresponding peaks by comparison of the peak patterns and UV spectra of the peaks, and an evaluating part evaluating the assigned peaks by comparison with peaks of a plurality of reference FPs.
    Type: Application
    Filed: May 31, 2012
    Publication date: May 29, 2014
    Applicant: TSUMURA & CO.
    Inventors: Yoshikazu Mori, Keiichi Noda
  • Patent number: 8738299
    Abstract: A method and system for finding in a DNA sequence, a gene represented by an ordered set of marker strings is disclosed. Sub-strings in the DNA sequence matching each marker string are identified. In a set ordered via occurrence of the marker strings in the ordered set of marker strings, the score and position of each sub-string whose score satisfies a matching constraint is recorded. For each except the last marker string, directed links are created between each identified sub-string that matches the marker string and any identified sub-strings that match the subsequent marker string, subject to the directed links satisfying an inter-marker length constraint. Traced are all paths that connect each identified sub-string that matches the first marker string to an identified sub-string that matches the last marker string using the directed links. The paths satisfy a sequence length constraint and are stored in memory of a computer system.
    Type: Grant
    Filed: September 22, 2006
    Date of Patent: May 27, 2014
    Assignee: International Business Machines Corporation
    Inventors: Jagir R. Hussan, Albee Jhoney
  • Publication number: 20140134745
    Abstract: According to one aspect of the present method, a method for evaluation of lignin may comprise the steps of: providing lignin from a source, wherein the composition of lignin is unknown; analyzing the lignin by molecular spectroscopy methods and/or physical-chemical analysis; determining the composition of the lignin; and using the determination of the composition to predict at least one biobased product produced from the lignin. Within the method, a statistical analysis of the lignin may provide a prediction for one or more products produced and/or the yield of one or more products.
    Type: Application
    Filed: November 15, 2012
    Publication date: May 15, 2014
    Applicant: VERTICHEM CORPORATION
    Inventors: John R. Peterson, Vladimir Romakh, Jian Wu
  • Patent number: 8723108
    Abstract: Methods, apparatus and systems for acquiring spectrometric data from analyte ions implement transient-level data acquisition and peak correction in a time-of-flight mass spectrometer. Transient spectra including analyte peaks and reference mass peaks are recorded, from which a set of averaged peak centroids of the reference masses is generated. The peaks of reference masses in each transient spectrum are compared to the averaged peak centroids. From this comparison, an appropriate correction function is applied to each transient spectrum to correct the positions of the analyte peaks in each transient spectrum. The corrected transient spectra are then summed to obtain a corrected averaged spectrum.
    Type: Grant
    Filed: October 19, 2012
    Date of Patent: May 13, 2014
    Assignee: Agilent Technologies, Inc.
    Inventor: Michael Ugarov
  • Publication number: 20140121994
    Abstract: Methods and systems for failure prediction using analysis of oil or other lubricant. Raw data about feature(s) of each of a plurality of particles filtered from a fluid sample are used to categorize each particle into one of a plurality of categories, each category being defined by one or more of: chemical composition, size and morphology. Particle physical characteristics in each category are quantified to obtain a set of categorized data. The categorized data are compared with historical data. Results of the comparing are evaluated to generate a prediction of any failure or mechanism of failure.
    Type: Application
    Filed: October 26, 2012
    Publication date: May 1, 2014
    Applicant: PRATT & WHITNEY CANADA CORP.
    Inventors: Maurice JEAN, Daniel MEILLEUR
  • Patent number: 8712749
    Abstract: The present invention relates to human Janus Kinase 3 (JAK3) and JAK3-like binding pockets. The present invention provides a computer comprising a data storage medium encoded with the structure coordinates of such binding pockets. This invention also relates to methods of using the structure coordinates to solve the structure of homologous proteins or protein complexes. In addition, this invention relates to methods of using the structure coordinates to screen for and design compounds, including inhibitory compounds, that bind to JAK3 protein or JAK3 protein homologues, or complexes thereof. The invention also relates to crystallizable compositions and crystals comprising JAK3 kinase domain and JAK3 kinase domain complexes with AMP-PNP.
    Type: Grant
    Filed: May 24, 2012
    Date of Patent: April 29, 2014
    Assignee: Vertex Pharmaceuticals Incorporated
    Inventors: Harmon Zuccola, Marc Jacobs, Lovorka Swenson, Kumkum Saxena
  • Patent number: 8700341
    Abstract: Methods are disclosed for resolving measurement problems such problems in measuring chromosomal copy number. Some disclosed methods involve first selecting a primary assay element characteristic to partition. Such characteristic may be a source of experimental variability such as the GC content of measured DNA sequences. Additionally, the disclosed methods may employ an abundance or copy number function to transform the assay element frequencies into an abundance, dose, copy number score, or the like. In some cases, the disclosed methods estimate an amount of certain fetal DNA in a sample. The methods can further compare the estimated amount to a measured amount of fetal DNA in the sample. The comparison can be used to determine the fetal sex or aneuploidy.
    Type: Grant
    Filed: January 19, 2011
    Date of Patent: April 15, 2014
    Assignee: Verinata Health, Inc.
    Inventors: Richard P. Rava, Brian K. Rhees, John P. Burke
  • Patent number: 8691261
    Abstract: It is intended to provide a drug delivery system which makes it possible to solve the existing technical problems and is easily usable in practice. A drug, which comprises an organic compound or an inorganic compound and has been magnetized by modifying a side chain and/or crosslinking side chains, is induced by a magnetic force into target tissues or an affected part.
    Type: Grant
    Filed: July 18, 2012
    Date of Patent: April 8, 2014
    Assignees: IHI Corporation
    Inventors: Haruki Eguchi, Yoshihiro Ishikawa
  • Patent number: 8694266
    Abstract: Multimodal optical spectroscopy systems and methods produce a spectroscopic event to obtain spectroscopic response data from biological tissue, either ex vivo or in vivo, and compare the response data with a model configured to correlate the measured response data and the most probable attributes of the tissue, thus facilitating classification of the tissue based on those attributes.
    Type: Grant
    Filed: May 16, 2012
    Date of Patent: April 8, 2014
    Assignee: The Regents of the University of Michigan
    Inventors: Mary-Ann Mycek, Malavika Chandra, James Scheiman, Robert H. Wilson, Diane Simeone, Barbara McKenna, Jeremy Taylor, Oliver Lee, Leng-Chun Chen, William Lloyd
  • Publication number: 20140095084
    Abstract: Systems and methods identify a product ion that does not include an interference. A full product ion spectrum for a mass range of an analyte in a sample is received from a tandem mass spectrometer. A first set of one or more peak parameters is calculated for a product ion in the full product ion spectrum using a first XIC window width. A second set of one or more peak parameters is calculated for the product ion using a second XIC window width. The product ion is identified as not including an interference, if the first set of one or more peak parameters and the second set of one or more peak parameters are substantially the same. The product ion is further confirmed or determined to be from the analyte and not from a matrix of the sample by correlating the product to a precursor ion of the analyte.
    Type: Application
    Filed: May 30, 2012
    Publication date: April 3, 2014
    Applicant: DH TECHNOLOGIES DEVELOPMENT PTE. LTD.
    Inventors: Stephen A. Tate, David M. Cox
  • Patent number: 8686352
    Abstract: A mass spectrometry system is mounted with (1) an action planning module for determining a measurement schedule provided by a combination of an MS analysis and an MSn analysis (where n?2) according to a measuring time provided previously; and (2) a mass spectrometry unit having a tandem mass spectrometry function for outputting a mass spectrum obtained by performing each measurement action constructing the measurement schedule.
    Type: Grant
    Filed: May 10, 2012
    Date of Patent: April 1, 2014
    Assignee: Hitachi, Ltd.
    Inventors: Yohei Kawaguchi, Yuichiro Hashimoto, Masuyuki Sugiyama, Shun Kumano, Shuhei Hashiba, Masahito Togami
  • Patent number: 8688389
    Abstract: Absolute quantitation of protein in a sample is provided by comparing a sum or average of the N highest ionization intensities observed for peptides of a particular protein along with a calibration standard. The calibration standard can be in the form of a table generated by prior protein peptide analysis performed using one or more pre-determined proteins. The comparison is used to determine a corresponding absolute quantity of protein based on the observed sum or average of ionization intensities. A simple conversion factor can be applied to the calibration standard value to determine the absolute quantity of protein in the sample.
    Type: Grant
    Filed: August 20, 2012
    Date of Patent: April 1, 2014
    Assignee: Waters Technologies Corporation
    Inventors: Scott Geromanos, Jeffrey Cruz Silva, Hans Vissers, Guo-Zhong Li
  • Patent number: 8682619
    Abstract: Devices, methods, and systems are described for administration to at least one biological tissue of at least one device including at least one altered microorganism. In an embodiment, the altered microorganism includes at least one nucleic acid construct encoding at least one therapeutic agent.
    Type: Grant
    Filed: May 28, 2010
    Date of Patent: March 25, 2014
    Assignee: The Invention Science Fund I, LLC
    Inventors: Dario G. Amodei, Mahalaxmi Gita Bangera, Xiaoyan Robert Bao, Anna Bershteyn, Brett Bethke, Philip A. Eckhoff, Kevin Michael Esvelt, Kyle B. Gustafson, Edward K. Y. Jung, William Michael Kaminsky, Jordin T. Kare, Lily Yvonne Kim, Eric C. Leuthardt, Erez Lieberman, Ankur Moitra, Christopher Somogyi, Clarence T. Tegreene, Lowell L. Wood, Jr., Jeremiah James Zartman
  • Patent number: 8682596
    Abstract: Disclosed is a method for detecting one or both of the native material in an object and any foreign material in the object by parallel-mode spectroscopy, comprising parallel-mode data acquisition, signal processing and data reduction and providing results. Parallel-mode data acquisition comprises producing an interrogating signal simultaneously containing electromagnetic radiation of sufficient bandwidth in the range of approximately 10 GHz to approximately 25 THz to allow simultaneous detection of a plurality of signals at a plurality of frequencies, each signal being at some amplitude, which collectively provide a unique spectral signature of a material whose detection is desired. The signal processing and data reduction comprises processing a signal resulting from exposing the object to the interrogating radiation to produce a three-dimensional data matrix representative of at least any foreign or native material associated with the object.
    Type: Grant
    Filed: February 14, 2011
    Date of Patent: March 25, 2014
    Assignee: Advanced Fusion Systems LLC
    Inventor: Curtis A. Birnbach
  • Patent number: 8666680
    Abstract: Recombinant soluble Fc receptors according to the present invention are characterized by the absence of transmembrane domains, signal peptides and glycoslyation. Such Fc receptors can easily be obtained by expressing respective nucleic acids in prokaryotic host ells and renaturation of the obtained inclusion bodies, which procedure leads to a very homogenous and pure product. The products can be used for diagnostic as well as pharmaceutical applications and also for the generation of crystal structure data. Such crystal structure data can be used for the modeling of artificial molecules. A further embodiment comprises coupling the Fc receptors according to the invention to solid materials like chromatography materials that an be used to separate and/or enrich antibodies.
    Type: Grant
    Filed: October 13, 2011
    Date of Patent: March 4, 2014
    Assignee: Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.
    Inventors: Peter Sondermann, Robert Huber, Uwe Jacob
  • Patent number: 8649984
    Abstract: The process of determining similarities of signals resulting from a sample analysis step using the same type of measuring device, characterized by the fact that it comprises a step of determining a value for each parameter of an uncertainty model related to said signals by processing homologous characteristic elements in at least two signals derived from the analysis of similar samples, and a step of determining a measurement of similarity between signals based on each parameter value of the said uncertainty model and of homologous characteristic elements in the different signals whose similarity is being measured. In some embodiments, during the value determination step, a mathematical uncertainty model is optimized so that it corresponds to the theoretically expected differences between the homologous characteristic elements in the various signals from similar samples.
    Type: Grant
    Filed: October 16, 2009
    Date of Patent: February 11, 2014
    Assignee: Schlumberger Technology Corporation
    Inventor: Xavier Nouvelle
  • Patent number: 8645082
    Abstract: Described are computer-based methods and apparatuses, including computer program products, for monitoring, detecting, and quantifying chemical compounds in a sample. A sample measurement comprising a digitized spectroscopic profile is received. A multivariate multistage background model comprising a first model that models a first time effect, a second model that models a second time effect that is different than the first time effect, or both is calculated. A background corrected sample measurement based on the sample measurement and the multivariate multistage background model is generated. A multivariate multistage library search, fault detection, and quantification algorithm is executed to identify one or more primary chemicals in the background corrected sample measurement.
    Type: Grant
    Filed: September 13, 2010
    Date of Patent: February 4, 2014
    Assignee: MKS Instruments, Inc.
    Inventors: Huwei Tan, Svante Bjarne Wold
  • Patent number: 8645083
    Abstract: The current invention reports a method for producing an antibody comprising the steps of a) providing a plurality of hybridoma cells each expressing an antibody, b) determining the time dependent amount of said antibody bound to the respective antigen by surface plasmon resonance at different temperatures and different antibody concentrations, c) calculating with the time dependent amount determined in b) based on equations (II) to (XIII) at least the thermodynamic parameters (i) standard association binding entropy formula (A), (ii) standard dissociation binding entropy formula (B), (iii) standard binding entropy (?S°), (iv) free standard binding enthalpy (?G°), (v) standard dissociation free binding enthalpy formula (C), (vi) standard association free binding enthalpy formula (D), (vii) ?T?S°, (viii) dissociation rate constant kd, (ix) equilibrium binding constant KD, and (x) association rate constant ka, d) selecting a hybridoma cell producing an antibody with at least two of the following: i) a standard a
    Type: Grant
    Filed: August 25, 2009
    Date of Patent: February 4, 2014
    Assignee: Hoffmann-La Roche Inc.
    Inventors: Michael Schraeml, Leopold Von Proff
  • Patent number: 8635031
    Abstract: This invention provides a computational approach to identifying potential antibacterial drug targets based on a genomic sequence and its annotation. Starting from a fully sequenced genome, open reading frame assignments are made which determine the metabolic genotype for the organism. The metabolic genotype, and more specifically its stoichiometric matrix, are analyzed using flux balance analysis to assess the effects of genetic deletions on the fitness of the organism and its ability to produce essential biomolecules required for growth.
    Type: Grant
    Filed: October 29, 2007
    Date of Patent: January 21, 2014
    Assignee: The Regents of the University of California
    Inventor: Bernhard Palsson
  • Patent number: 8626452
    Abstract: Methods to determine drug hydrophobicity and to quantify changes in drug hydrophobicity that optimize drug function by means of differential scanning calorimetry of an endothermic phase transition of a base protein-based polymer, specifically of an elastic-contractile model protein, to which is attached the drug to be evaluated for its hydrophobicity in terms of the change in Gibbs free energy for hydrophobic association, ?GHA have been developed. Also described herein is the preparation of nanoparticles comprised of protein-based polymers, specifically of elastic-contractile model proteins, designed for the binding and desired release rate of a specific drug or class of drugs. Further described herein is a means of targeting the drug-laden nanoparticle to a cell by means of decorating the nanoparticle surface with a molecular entity that selectively binds to the diseased cell or disease causing organism, e.g.
    Type: Grant
    Filed: June 9, 2010
    Date of Patent: January 7, 2014
    Inventors: Dan W. Urry, Kelley D. Urry
  • Patent number: 8620596
    Abstract: A method and apparatus that enables a user to sort data from one or more sample lots, which may be obtained via a network, such as the Internet, into a composite parameter structure. The composite parameter structure is a function of one or more parameters corresponding to one or more characteristics associated with one or more sample lots. The composite parameter structure representation may be printed, stored, or transmitted to another location. A server device that is coupled and working in conjunction with a client device may implement the present invention.
    Type: Grant
    Filed: July 19, 2011
    Date of Patent: December 31, 2013
    Assignee: Par Pharmaceutical, Inc.
    Inventors: Robert Ruemer, Narayan Ragunathan, Robert A. Femia
  • Patent number: 8604421
    Abstract: A method and system for the identification and/or characterization of properties of a sample using mass spectrometry. The method involves producing a measured spectrum of data from a sample using a mass spectrometer, deconvoluting the measured spectrum of data by Bayesian inference to produce a family of plausible deconvoluted spectra of data, inferring an underlying spectrum of data from the family of plausible deconvoluted spectra of data and using the underlying spectrum of data to identify and/or characterize the sample.
    Type: Grant
    Filed: April 15, 2011
    Date of Patent: December 10, 2013
    Assignee: Micromass UK Limited
    Inventors: John Skilling, Keith George Richardson
  • Patent number: 8606553
    Abstract: This invention provides a computational approach to identifying potential antibacterial drug targets based on a genome sequence and its annotation. Starting from a fully sequenced genome, open reading frame assignments are made which determine the metabolic genotype for the organism. The metabolic genotype, and more specifically its stoichiometric matrix, are analyzed using flux balance analysis to assess the effects of genetic deletions on the fitness of the organism and its ability to produce essential biomolecules required for growth.
    Type: Grant
    Filed: August 6, 2001
    Date of Patent: December 10, 2013
    Assignee: The Regents of the University of California
    Inventor: Bernhard Palsson
  • Publication number: 20130325354
    Abstract: The present invention is directed to a computational method for correlating and elucidating a mass spectrum with one or more proposed chemical structures.
    Type: Application
    Filed: May 20, 2013
    Publication date: December 5, 2013
    Inventor: Marshall Siegel
  • Publication number: 20130325363
    Abstract: A system for improving processing of polyethylene resins, comprising a processor; a memory; an output device; and an analysis component stored in the memory, that when executed on the processor, configures the processor to receive a shear stress as a function of shear rate for a plurality of multimodal metallocene-catalyzed polyethylene samples, wherein the determination of the shear stress as a function of the shear rate comprises using capillary rheometry; determine values for a magnitude of slip-stick, a stress for smooth to matte transition, and a shear rate for smooth to matte transition for each of the plurality of multimodal metallocene-catalyzed polyethylene samples based on the shear stress and the shear rate measured from capillary rheometry; identify individual multimodal metallocene-catalyzed polyethylene resins from the plurality of multimodal metallocene-catalyzed polyethylene samples having a reduced tendency to melt fracture characterized by a magnitude of slip-stick greater than about 300 psi
    Type: Application
    Filed: October 25, 2012
    Publication date: December 5, 2013
    Applicant: CHEVRON PHILLIPS CHEMICAL COMPANY LP
    Inventors: Paul J. DesLauriers, Yongwoo Inn, Qing Yang, Ashish M. Sukhadia, David C. Rohlfing
  • Patent number: 8591835
    Abstract: One or more embodiments of the invention are directed to sample tubes comprising a cylindrical elongate tube having a gripping section with at least one discontinuity extending radially about the outside surface of the elongate tube. Methods of making sample tubes and their use in sample handlers are also described.
    Type: Grant
    Filed: May 3, 2012
    Date of Patent: November 26, 2013
    Inventor: Gregory B. Norell
  • Patent number: 8589085
    Abstract: In particular, this invention provides novel methods of populating data structures for use in evolutionary modeling. In particular, this invention provides methods of populating a data structure with a plurality of character strings. The methods involve encoding two or more biological molecules into character strings to provide a collection of two or more different initial character strings; selecting at least two substrings from the pool of character strings; concatenating the substrings to form one or more product strings about the same length as one or more of the initial character strings; adding the product strings to a collection of strings; and optionally repeating this process using one or more of the product strings as an initial string in the collection of initial character strings.
    Type: Grant
    Filed: March 29, 2012
    Date of Patent: November 19, 2013
    Assignee: Codexis Mayflower Holdings, LLC
    Inventors: Sergey A. Selifonov, Willem P. C. Stemmer
  • Patent number: 8584506
    Abstract: A method of using physics-based signal processing algorithms for micromachined cantilever arrays. The methods utilize deflection of a micromachined cantilever that represents the chemical, biological, or physical element being detected. One embodiment of the method comprises the steps of modeling the deflection of the micromachined cantilever producing a deflection model, sensing the deflection of the micromachined cantilever and producing a signal representing the deflection, and comparing the signal representing the deflection with the deflection model.
    Type: Grant
    Filed: May 16, 2006
    Date of Patent: November 19, 2013
    Assignee: lawrence Livermore National Security, LLC.
    Inventors: James V. Candy, David S. Clague, Christopher L. Lee, Robert E. Rudd, Alan K. Burnham, Joseph W. Tringe