Class / Patent application number | Description | Number of patent applications / Date published |
702028000 | Using radiant energy | 76 |
20080208485 | System and Method for Tracking and Quantitating Chemical Entities - In complex separations, more than one entity may have the same molecular weight, to within the ability of an instrument to distinguish. Accurate mass measurements are used in light of the previously unknown regularities in retention time to determine a retention time (N pairs of values (t | 08-28-2008 |
20080262749 | PARTICULATE DETERMINATION METHOD - A particulate determination method determines by onetime scanning, the size of a particulate included in a plurality of particulates of various sizes which are arranged on a disc. False recognition of the number of particulates is avoided even when a plurality of particulates are adjacent to each other. A photodetector detection signal is judged using plural threshold values according to the sizes of particulates to be detected. Results of determinations corresponding to the respective threshold values are stored on mutually independent memory maps. When counting particulates, a particulate size and a particulate count value are determined from a combination of stored data appearing in a scanning window at the same position on the respective memory maps. | 10-23-2008 |
20080270042 | Surface enhanced raman spectroscopy with periodically deformed sers-active structure - An apparatus and related methods for facilitating surface-enhanced Raman spectroscopy (SERS) is described. A SERS-active structure near which a plurality of analyte molecules is disposed is periodically deformed at an actuation frequency. A synchronous measuring device synchronized with the actuation frequency receives Raman radiation scattered from the analyte molecules and generates therefrom at least one Raman signal measurement. | 10-30-2008 |
20090012723 | Adaptive Method for Outlier Detection and Spectral Library Augmentation - A method for analyzing data from an unknown substance, whereby target data representative of an unknown substance is received and compared to reference data associated with one or more known substances. Such comparison determines one or more candidate substances. After determining candidate substances, it is determined if the target data is unique to a candidate substance. If the target data is unique to one of the candidate substances, then this determination is confirmed with fusion. If the target data is not unique, then the target data may be subjected to fusion and unmixing with fusion. If analysis of the target data determines that an outlier is present, then this target data is added to a pool of unassigned data. The addition of this new data to the pool of unassigned data may result in clustering of enough of the previously unassigned data to form a new candidate class. If analysis of the target data does not detect an outlier, but cannot be matched to an existing candidate class, the target data in this case can also be added to the pool of unassigned data. If no outlier is detected, and the Matching Existing Class step is successful, then the target data is added to the matched class. If this candidate class is confirmed, then it can be added to the list of existing classes. | 01-08-2009 |
20090076739 | METHOD AND SYSTEM TO IDENTIFY METAL ALLOYS - A method and system to identify an unknown metal alloy based on its chemical composition is provided in the present application. The chemical elements contained in the alloy are separated into key elements and trap elements. Then a correlation factor is applied to each key element and a similarity factor is calculated based on the correlation factors. | 03-19-2009 |
20090132178 | Crystalline enoyl-(acyl-carrier-protein) Reductase from Heliobacter Pylori - The present invention relates to novel drug targets for pathogenic bacteria. Accordingly, the invention provides purified protein comprising the amino acid sequence set forth in SEQ ID NO: 4. The invention also provides biochemical and biophysical characteristics of the polypeptides of the invention. | 05-21-2009 |
20090171593 | System and Method for Partitioning Chemometric Analysis - In one embodiment, the disclosure relates to a method for conducting a spectral library search to identify an un-known compound by acquiring one or more spectra of the compound; representing each spectrum as a target vector; providing an n-dimensional space having a plurality of partitioned spaces, at least one of the partitioned spaces containing at least one known vector representing a known material; mapping each target vector in one of the plurality of the partitioned spaces to form a mapped partitioned space; identifying one or more known vectors within the mapped partitioned space which approximate the target vector; and identifying the unknown compound by comparing the target vector to the known vectors within the mapped partitioned space which closely approximate the target vector. | 07-02-2009 |
20090248322 | METHOD AND SYSTEM FOR MONITORING CHANGES IN A SAMPLE FOR A PROCESS OR AN ENVIRONMENT - Systems and methods for monitoring a sample or a sample flow associated with a process or an environment. The systems and methods transmit terahertz signals at the sample, receive a resulting spectral response, perform a spectral analysis, and display a result or choose a course of action. The analysis compares the sample's absorption or reflection spectral response to known spectrums to determine composition; or to determine if the sample flow has deviated from “normal”. In one embodiment, the systems and methods use reflection terahertz on a contained sample; in another it uses transmission terahertz to look at a sample flow outside the vehicle. In this embodiment the analysis is used to determine sample composition. In other embodiments, the analysis is used to discern or warn of changes, or to choose a course of action. | 10-01-2009 |
20090299653 | Method of Processing Spectrometric Data - A method of characterising 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 analyses 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 ( | 12-03-2009 |
20100030488 | METHOD OF CALCULATING THE STRUCTURE OF AN INHOMOGENEOUS SAMPLE - A method is provided of calculating the structure of an inhomogeneous sample in which an electron beam is used to cause excitation of x-rays from the sample under known conditions of beam energy and geometry with respect to the sample. Notably the beam current is unknown. Measured x-ray intensity data for the sample corresponding to one or more sets of beam conditions and beam currents are firstly obtained, together with comparative x-ray intensity data for samples having known structures. A beam current factor for each beam condition is estimated and effective x-ray intensity data for each of the sets of conditions are then calculated using the measured and comparative x-ray intensity data and the beam current factor. The structure of the sample is then calculated for each of the sets of conditions using the effective x-ray intensity data. Predicting x-ray intensity data are produced corresponding to the calculated structure and compared with the effective x-ray intensity data. These steps are repeated using revised beam current factors until the predicted and effective x-ray intensity data achieve a predetermined similarity condition. | 02-04-2010 |
20100070199 | METHOD AND SYSTEM FOR MEASURING OPTICAL PROPERTIES OF A MEDIUM USING DIGITAL COMMUNICATION PROCESSING TECHNIQUES - A system for measuring properties of a medium includes an electromagnetic generator for forming a CW carrier, a digital encoder for forming a digital message, and a modulator for modulating the CW carrier with the digital message to form a digitally modulated CW carrier. The medium provides a channel for propagating the digitally modulated CW carrier. The system further includes a receiver configured to receive the propagated, digitally modulated CW carrier, and a processor for measuring at least one property of the medium. The medium may be disposed within a gaseous atmosphere, a body of water, or a cell of a laboratory. | 03-18-2010 |
20100179770 | AUTOMATION OF INGREDIENT-SPECIFIC PARTICLE SIZING EMPLOYING RAMAN CHEMICAL IMAGING - A system and method for determining at least one geometric property of a particle in a sample. A sample is irradiated to thereby generate Raman scattered photons. These photons are collected to generate a Raman chemical image. A first threshold is applied wherein the first threshold is such that all particles in the sample are detected. A particle in the sample is selected and a second threshold is applied so that at least one geometric property of the selected particle can be determined. At least one spectrum representative of the selected particle is analyzed to determine whether or not it is a particle of interest. The step of determining a second threshold may be iterative and automated via software so that candidate second thresholds are applied until a satisfactory result is achieved. | 07-15-2010 |
20100211328 | Method for detecting the impacts of interfering effects on experimental data - The invention provides a method for identifying the impacts of interfering effects on experimental data. In particular, a method is described for identifying the impacts of unwanted auto-fluorescence, fluorescence quenching, and deterioration of a fluorescent sample under study on the collected experimental data. The data are analyzed whether or not said data fulfill certain criteria with respect to a threshold which is indicative for said interfering effect. | 08-19-2010 |
20100211329 | METHOD AND APPARATUS FOR DETERMINING PROPERTIES OF FUELS - The method and apparatus are used to determine class, grade and properties of fuel samples, regardless of ambient, instrument, or sample temperature, using mathematical correlations between fuel class, grade and properties and their spectra developed from a database of samples with measured properties and spectra. The ability to measure a fuel sample using the present method and apparatus is useful in identifying unknown fuel samples, determining suitability in equipment, and monitoring and controlling fuel processes, such as blending operations, distillation, and synthesis. | 08-19-2010 |
20100217537 | Method and Apparatus for Multimodal Detection - System and method for assessing the occurrence of an unknown substance in a sample that comprises multiple entities. A reference library is provided comprising a plurality of reference data sets representative of at least one known substance. A first feature of the entities is assessed wherein the first feature is characteristic of the unknown substance. A region of interest is selected wherein the region of interest comprises at least one entity exhibiting the first feature. A spatially accurate wavelength resolved Raman image is obtained wherein each pixel in the image is the Raman spectrum of the sample at the corresponding location. The spatially accurate wavelength resolved image is assessed to thereby identify the unknown substance. | 08-26-2010 |
20100223016 | METHOD AND APPARATUS FOR IDENTIFICATION AND DETECTION OF LIQUIDS - A method and apparatus for the identification and detection of composition of a liquid are disclosed. The invention involves detecting and collecting spectroscopically resolvable information about incident radiation, and collecting one or more datasets of intensity information at the detector system. Each dataset is resolved across at least three frequency bands within the spectrum of the source to produce an intensity data item for each band. A numerical relationship is evaluated for at least two pairs of frequency bands in a given intensity dataset to obtain a numerical indicator functionally related to a characteristic physical material property such as a material coefficient that varies functionally with radiation energy. The numerical indicator is compared with a library of data for a range of potential component liquids in order to obtain an indication of the likely composition of the liquid sample. An apparatus for use in identifying and detecting a liquid is also disclosed. | 09-02-2010 |
20100274501 | SYSTEMS FOR TERRESTRIAL TARGET DETECTION AND CHARACTERIZATION USING A DISPERSED FOURIER TRANSFORM SPECTROMETER - A precision molecular and motion sensor utilizing a Dispersed Fourier Transform Spectrometer to remotely sense targets. Remote sensing is conducted at various ranges, against various ambient backgrounds, to detect, classify, identify, characterize, and discriminate targets. A Dispersed Fourier Transform Spectrometer is expanded by modification and augmentation of existing optical, mechanical, and software components to enable basic terrestrial use while providing specific optimization for various applications which are designed with emphasis on the sensitivity of the Dispersed Fourier Transform Spectrometer. | 10-28-2010 |
20100299081 | Detection and Quantification of Polypeptides Using Mass Spectrometry - The invention relates to the detection and quantification of polypeptides using mass spectrometry. Specifically, the invention provides a method for testing whether a target polypeptide is present in a sample of a set of polypeptides, a method for deriving a value for distinguishing polypeptides of a set of polypeptides from each other, a database containing values for distinguishing each polypeptide of a set of polypeptides from each other, and an apparatus for configuring a mass scan of a mass spectrometer to test whether a target polypeptide of a set of polypeptides is present in a sample of the set. | 11-25-2010 |
20100318302 | X-RAY IMAGING APPARATUS, X-RAY IMAGING METHOD AND METHOD OF CONTROLLING X-RAY IMAGING APPARATUS - A simplified X-ray imaging apparatus is capable of computationally determining effective atomic numbers with small error factors even for light elements. The X-ray imaging apparatus has an X-ray generation unit | 12-16-2010 |
20110035161 | ANALOG SIGNAL MEASUREMENT SYSTEM AND GAMMA RAY DETECTOR WITH TARGETED AUTOMATED GAMMA SPECTROSCOPY - An analog signal measurement system and a gamma ray detector with targeted automated gamma spectroscopy for gamma radiation surveillance system are disclosed. The analog signal measurement system has dynamically programmable lower and upper level discriminators for measuring an analog signal thereagainst, and logic devices for receiving input from the discriminators to generate digital signals. The gamma ray detector comprises a gamma ray detector for converting a gamma ray photon into an analog pulse, and a single channel analyzer or the analog signal measurement system. The gamma ray detector further includes dynamically programmable lower and upper level discriminators for converting the analog pulse generated from the gamma ray detector into a digital signal, a resettable programmatically controlled counter for counting the digital signal and a computing device that controls the lower and upper level discriminators for defining a gamma ray energy window and measures gamma count rate for that energy window. | 02-10-2011 |
20110082649 | STAND-OFF ACTIVE DETECTION OF CHEMICAL SUBSTANCES - The present invention relates to a method for detecting N gases, each having a corresponding spectral signature. The method comprises determining, on the basis of a Principal-Component Analysis of the spectral signatures of the N gases, M wavelengths, on the basis of which said spectral signatures can be represented. Furthermore, the method comprises emitting, for each of the M wavelengths determined, a corresponding electromagnetic radiation having said wavelength. The method also comprises acquiring, for each of the M wavelengths determined, a corresponding back-scattered electromagnetic radiation having said wavelength. Finally, the method comprises detecting and identifying one of the N gases on the basis of the corresponding spectral signature and of at least one electromagnetic radiation acquired. | 04-07-2011 |
20110106455 | X-ray characterization of solid small molecule organic materials - The present invention provides, inter alia, methods of characterizing a small molecule organic material, e.g., a drug or a drug product. This method includes subjecting the solid small molecule organic material to x-ray total scattering analysis at a short wavelength, collecting data generated thereby, and mathematically transforming the data to provide a refined set of data. | 05-05-2011 |
20110144922 | Method and System for Spectrum Data Analysis - A method and system for spectrum data analysis. The method comprises the steps of collecting a spectrum of an unknown material; providing a set of data templates; calculating weighting factors for the element data templates to minimize error in approximating the spectrum; removing one or more of the templates having negative weights in approximating the spectrum; and re-calculating an approximation of the spectrum with said one or more templates removed. Embodiments of the invention are suitable for analyzing noisy spectra having relatively few data points. | 06-16-2011 |
20110153227 | Method and Device for Automatically Determining a Substance Based on Spectroscopic Examinations - In a method for automatic substance determination based on spectroscopic examinations of unknown substances in comparison to known test substances, digital data sets are determined by a delta modulator from spectra of known test substances and saved as prototypes in a database. Digital data sets of the unknown substances are determined from spectra by the delta modulator and are sequentially compared with the digital data sets of the prototypes of the database by a comparator. For a positive result of comparing, the unknown substances are allocated to a respective prototype as a determined case in the database. For a negative result of comparing, the unknown substances are allocated to undetermined cases of the database. The delta modulator, the database, the comparator, and the allocator are components of a data processing system and are linked and interconnected in accordance with the sequence of the method steps. | 06-23-2011 |
20110184660 | ANALYZER OF PHOSPHORYLATION OF PEPTIDE OR PROTEIN, PHOSPHORYLATION DETERMINATION PROGRAM, AND RECORDING MEDIUM FOR THE PROGRAM - To provide an analyzer configured to enable to determine whether or not phosphoric acid is bound to a peptide or protein in a short time according to a simple procedure, and to provide a program for use in the analyzer, and a recording medium for storing the program. | 07-28-2011 |
20110213566 | Method Of And System For Blind Extraction Of More Than Two Pure Components Out Of Spectroscopic Or Spectrometric Measurements Of Only Two Mixtures By Means Of Sparse Component Analysis - A method, system, and computer program product for identification of more than two pure components from two mixtures using sparse component analysis. Spectroscopic data for two mixtures X are analyzed in a recording domain or in a first new representation domain by using linear transform T | 09-01-2011 |
20110270535 | Systems and Methods for Identifying Classes of Substances - In one embodiment, a system and a method for identifying the class of a component of a mixture includes collecting samples from a sample source, determining a summed ion spectrum for each sample and generating sample data from the summed ion spectra, comparing the sample data with reference summed ion spectra of multiple reference substances to determine correlations between the reference substances and the sample data, and evaluating the correlations of the substances of each substance class to determine which substance class most closely correlates to the sample data. | 11-03-2011 |
20110295521 | METHOD FOR ISOMER DISCRIMINATION BY TANDEM MASS SPECTROMETRY - Systems and method for mass spectrometry are presented. In one embodiment, a method comprises: (a) acquiring one or more fragmentation signatures for a reference sample, wherein each fragmentation signature of the reference sample is acquired with a unique tandem mass spectrometry mode; (b) identifying one or more discriminate features across the plurality of fragmentation signatures of the reference sample; (c) acquiring one or more fragmentation signatures for an unknown sample, wherein each fragmentation signature of the unknown sample is acquired according to the discriminant features of step (b); (d) identifying one or more discriminate features across the plurality of fragmentation signatures of the unknown sample; (e) scoring the fragmentation signatures of step (c) by comparing the discriminate features of the reference sample, from step (b), against the discriminate features of the unknown sample, from step (d); and (f) identifying a structural isomer based on the score of step (e). | 12-01-2011 |
20110320135 | System and Method for Determining Moisture Content of Hydrophobic Fluids - A system and method for quantitatively characterizing moisture content of an at least partially hydrophobic fluid sample. The method includes providing a dry solution of an aprotic solvent, adding at least a part of the fluid sample to the solvent to produce an extract-sample, performing infrared spectroscopic testing on the extract-sample to generate absorbance data representing at least one absorbance characteristic of the extracted sample, and generating moisture data for the sample based on the extracted sample data. The system includes a cell for holding and evaluating an extracted sample, an infrared spectrometer for measuring infrared absorbance characteristics of the extracted samples, a computer equipped with software for analyzing data outputted by the infrared spectrometer and utilizing an empirical model to derive at least one calibration equation relating data representing the absorbance characteristics of the extract-sample to unit moisture concentration, and converting the unit moisture concentration to a measure of moisture content of the sample. The method also utilizes D | 12-29-2011 |
20120004862 | ION MOBILITY SPECTROMETRY SYSTEMS AND ASSOCIATED METHODS OF OPERATION - Ion mobility spectrometry systems, devices, and associated methods of operation are disclosed herein. In one embodiment, a method for performing ion mobility spectrometry includes ionizing a sample in gas phase and applying an electric field to the ionized sample in the gas phase, thereby moving the ionized sample along a drift region. The applied electric field has a plurality of strength values with respect to time, and the individual strength values being generally constant during a corresponding period of time. The method further includes detecting an ion intensity and a drift time of the ionized sample moving through the drift region under the applied electric field with the plurality of strength values. | 01-05-2012 |
20120016598 | NORMALIZATION OF MASS SPECTRA ACQUIRED BY MASS SPECTROMETRIC IMAGING - Mass spectra acquired by imaging mass spectrometry (IMS), in particular MALDI imaging of tissue sections, are each normalized by one of: the p-norm of the mass spectrum transformed by applying an exclusion list, the p-norm of the mass spectrum transformed by square rooting the intensity values, the median of the mass spectrum, and the median absolute deviation of the noise level of the mass spectrum. | 01-19-2012 |
20120029836 | SYSTEM AND METHOD FOR QUANTITATIVE ANALYSIS OF THE ELEMENTAL COMPOSITION OF A MATERIAL BY LASER-INDUCED BREAKDOWN SPECTROSCOPY (LIBS) - A system and method for measuring elemental concentrations of a material from a sample containing several elements by LIBS analysis. The material is heated to generate plasma and its chemical composition is determined from spectral analysis of its radiation. The spectral lines of interest are identified among those emitted by the constituents of each element composing sample. The intensities of the spectral lined identified are measured. From an estimate of temperature, electron density and relative concentration values, the chemical composition of the plasma is calculated. The absorption coefficient according to wavelength is calculated for the spectral zones of the lines of interest. From an estimate of the plasma width, the spectral radiance of the plasma is calculated for the same spectral zones and then a comparison of the intensity and shape of the spectrum thus calculated with those of the spectrum measured is performed. These calculations and this comparison are repeated iteratively in order to adjust the temperature, electron density, relative values of the elemental concentrations and width of the plasma. | 02-02-2012 |
20120041689 | System and method for particle detection in spectral domain - The present disclosure provides for a system and method for detecting, sizing, and classifying multiple particles in a sample. A Raman chemical image may be generated representative of a sample. This Raman chemical image may be analyzed to thereby determine at least one geometric property of at least one particle in the sample. Each pixel in the sample may be classified as comprising a particle associated with an active pharmaceutical ingredient of interest. This classification may be achieved by comparing a spectrum associated with each pixel with a reference spectrum. This comparison may be achieved by applying at least one chemometric technique. | 02-16-2012 |
20120084016 | PORTABLE LASER-INDUCED BREAKDOWN SPECTROSCOPY SYSTEM WITH MODULARIZED REFERENCE DATA - A portable laser-induced breakdown spectroscopy (LIBS) system has a laser module, a spectrometer connected to the laser module, and an analysis sub-system connected to the spectrometer, the analysis sub-system having: a data module having at least one set of reference data for a particular material; a processor configured to access data from the spectrometer generated from a sample under test, and to compare the data from the spectrometer to the set of reference data; and a user interface through which the analysis sub-system provides a user with information about a presence, if any, of the particular material in the sample under test. A computer-controlled method of operating a laser-induced breakdown spectroscopy (LIBS) system includes receiving, at computer, an input from a detector, the input relating to a sample under test, generating a characteristic spectrum from the input, accessing reference data for a particular material, the reference data residing in a data module accessible by the computer, using the computer to compare the reference data to the characteristic spectrum, and presenting the result through a user interface. | 04-05-2012 |
20120116690 | METHOD AND SYSTEM OF ESTIMATING THE CROSS-SECTIONAL AREA OF A MOLECULE FOR USE IN THE PREDICTION OF ION MOBILITY - A method of estimating the cross-sectional area of a molecule for use in the prediction of ion mobility gives gas phase interaction radii determination and cross-sectional algorithm computation to provide separation and characterisation of structurally related isomers. More specifically, the invention provides a method of correlating the differences in the molecular structures with differences in anti-cancer activity of pre-determined anti-cancer drugs by utilizing a new algorithm for estimating the cross-sectional area of the molecules of such drugs. | 05-10-2012 |
20120116691 | Method for the Identification of Materials in a Container - Method for the identification of a homogeneous material (e.g. a liquid) in a container (e.g. a bottle) by measuring its X-ray or gamma spectrum and deriving its specific attenuation function. The method comprises building a database of the attenuation functions of empty containers, of containers filled with various fluid materials and of the contained fluid materials itself (by subtracting or devoluting the empty-container-attenuation-function from the filled-container-attenuation-function), recording the spectrum of an unknown material in a container and comparing this spectrum to the spectra in the database. | 05-10-2012 |
20120123697 | METHOD AND DEVICE FOR IDENTIFYING A MATERIAL OF AN OBJECT - A device for identifying a material of an object including: a source of X photons, and a spectrometric detector, the source irradiating the object with an incident beam and the detector measuring a magnitude of a backscattered beam from the incident beam after scattering in a volume of the material and an energy of the X photons of the backscattered beam, the incident and backscattered beams forming a scattering angle. Further, a mechanism adjusts position between the source, the detector, and the object for volume to be at different depths with a constant angle, and a mechanism processes the two magnitudes in two positions and the energy in one position to calculate an attenuation coefficient for estimating the density of the material. | 05-17-2012 |
20120158318 | Method and Apparatus for Correlating Precursor and Product Ions in All-Ions Fragmentation Experiments - A method for matching precursor ions to product ions generated in a chromatography—mass spectrometry experiment comprises: choosing a time window defining a region of interest for precursor ion data and product ion data generated by the experiment; constructing a plurality of extracted ion chromatograms (XICs) for the precursor ion data and the product ion data within the region of interest; automatically detecting and characterizing chromatogram peaks within each XIC and automatically generating synthetic analytical fit peaks thereof; discarding a subset of the synthetic analytical peaks which do not satisfy noise reduction rules; performing a respective cross-correlation score calculation between each pair of synthetic analytical fit peaks; and recognizing matches between precursor ions and product ions based on the cross correlation scores. | 06-21-2012 |
20120191371 | TERAHERTZ SPECTROSCOPY OF ROUGH SURFACE TARGETS - A method and system for analyzing noisy terahertz spectroscopy data transforms the measured time-dependent data into frequency space, for example, using a discrete Fourier transform, and then transforms the frequency spectrum into wavelet frequency space. The twice-transformed data is analyzed to identify spectroscopic features of the signal, for example, to identify a resonance frequency. The method may be used, for example, in a stand-off detector to identify particular chemicals in a target. | 07-26-2012 |
20120209536 | Increased Absorption-Measurement Accuracy Through Windowing of Photon-Transit Times to Account for Scattering in Continuous Webs and Powders - Radiation scattering is one of the main contributors to the uncertainty of near infrared (NIR) measurements. Enhanced absorption-measurement accuracy for NIR sensors is achieved by using a combination of NIR spectroscopy and time-of-flight techniques to select photons that are the result of a given mean free path within a moving sample target. By measuring absorption as a function of path length or by windowing signals that are attributable to excessive scattering of NIR radiation within the sample, this technique affords the calculation of more accurate and more universal calibrations. The NIR sensor employs short or ultra-short laser pulses to create NIR that is directed to the moving sample and emerging radiation is detected over time. Windowing effectively truncates non-contributing measurements. | 08-16-2012 |
20120245858 | APPARATUSES AND METHODS FOR ANALYSIS OF SAMPLES THROUGH MULTIPLE THICKNESSES - Apparatuses, methods, software, and systems for analyzing homogenous samples containing signal-emitting entities, such as, but not limited to, radioisotopes, are disclosed. The apparatuses mainly involve sample-container apparatuses that shape samples into different thicknesses; equipment; and software for detecting, processing, preserving, and presenting the signals and computational results. The methods mainly involve characteristic signal acquisition and processing in order to compute sample self-attenuation of signals emitted from within special sample-container apparatuses. The software intelligently pairs characteristic signals from samples of varying thicknesses; carries out the sample self-attenuation, transmittance, and other computations related to signal-detection-efficiency calibration of the detection system; and identifies and quantifies signal emitters. The systems primarily integrate and support the methods, apparatuses, and software as various embodiments that identify and quantify signal emitters within homogenous samples. | 09-27-2012 |
20120271562 | METHOD OF ENERGY SPECTRUM ANALYSIS FOR SODIUM IODIDE (NaI) DETECTOR - The present invention relates to a method of energy spectrum analysis for sodium iodide (NaI) detector, by which an energy spectrum characteristic obtained from a sodium iodide (NaI) detector is analyzed and used for establishing a system capable of qualitative nuclide identification and activity determination that can be adapted in applications of waste clearance management. | 10-25-2012 |
20120310550 | IDENTIFICATION OF MOLECULES BASED ON FREQUENCY RESPONSES USING ELECTROMAGNETIC WRITE-HEADS AND MAGNETO-RESISTIVE SENSORS - The invention relates to the identification of molecules using electromagnetic write-heads and magneto-resistive sensors. In one embodiment, an electromagnetic write-head magnetically excites a molecule with an alternating magnetic field. A magneto-resistive sensor measures the resonant response of the magnetically excited molecule. A processor compares the resonant response to a table of known responses of different molecules to identify the chemical composition of the target molecule. | 12-06-2012 |
20130006539 | MEASUREMENT OF COMPOSITION FOR THIN FILMS - The present invention includes generating a three-dimensional design of experiment (DOE) for a plurality of semiconductor wafers, a first dimension of the DOE being a relative amount of a first component of the thin film, a second dimension of the DOE being a relative amount of a second component of the thin film, a third dimension of the DOE being a thickness of the thin film, acquiring a spectrum for each of the wafers, generating a set of optical dispersion data by extracting a real component (n) and an imaginary component (k) of the complex index of refraction for each of the acquired spectrum, identifying one or more systematic features of the set of optical dispersion data; and generating a multi-component Bruggeman effective medium approximation (BEMA) model utilizing the identified one or more systematic features of the set of optical dispersion data. | 01-03-2013 |
20130035872 | Determining Thin Film Stack Functional Relationships For Measurement of Chemical Composition - A method for determining chemical composition from optical properties of a stack formed with a process, by preparing test samples of the stack using known and intentional variations to the process to affect a variation in the chemical composition, measuring the optical properties of the test samples, measuring the chemical composition of the test samples, performing a processor-based regression analysis to determine an optical state function including correlations between the optical properties of the test samples and the chemical composition of the test samples, fabricating production samples of the stack using the process, measuring the optical properties of the production samples, and estimating the chemical composition of the production samples using the optical state function. | 02-07-2013 |
20130054153 | METHOD AND APPARATUS FOR MATERIAL ANALYSIS BY A FOCUSED ELECTRON BEAM USING CHARACTERISTIC X-RAYS AND BACK-SCATTERED ELECTRONS - A material analysis method by a focused electron beam and an equipment for performing such an analysis where an electron map B is created describing the intensity of emitted back-scattered electrons at various points on a sample, and a spectral map S is created describing the intensity of emitted X-rays at points on the sample depending on the radiation energy. For selected chemical elements, X-ray maps M | 02-28-2013 |
20130116933 | APPARATUS AND METHOD FOR PERFORMING MASS SPECTROSCOPY - Embodiments of the present invention are directed to apparatus and methods for performing mass spectrometry. Data pair information is subjected to an ion audit process in which data pair information that relates to scored compounds is subtracted from the data pair information. The depleted information more readily reveals data pair information for compounds present with smaller signals. | 05-09-2013 |
20130116934 | Method and System for Processing Mass Spectrometry Data, and Mass Spectrometer - Provided is a method for quantitatively estimating the probability of substance identification based on the result of an MS | 05-09-2013 |
20130197817 | METHOD OF ASSESSING STABILITY OF A CHEMICAL SAMPLE AND IDENTIFYING POSITIONAL VARIATIONS IN A CHEMICAL STRUCTURE - Methods of characterizing a chemical sample, and in particular, assessing stability of a sample, identifying trace amounts of an amorphous phase in a sample, and identifying structural variations in the internal structure of a sample. | 08-01-2013 |
20130211734 | Systems and Methods for Calculating Protein Confidence Values - Protein confidence values are calculated in proteomic analysis. A protein database is searched for proteins matching peptides found from mass spectrometry of a sample producing a set of proteins and a corresponding set of peptides. Peptide confidence values for the set of peptides are determined. Protein confidence values are calculated for the set of proteins based on the peptide confidence values. A protein is selected from the set of proteins with a largest protein confidence value, the largest protein confidence value is saved for the protein, the protein is removed from the set of proteins, and one or more peptides corresponding to the protein are removed from the set of peptides. Protein confidence values are recalculated for the set of proteins based on the peptide confidence values and an effect of removing the one or more peptides from the set of peptides. | 08-15-2013 |
20130268210 | METHODS AND SYSTEMS FOR PERFORMING AN ELEMENTAL ANALYSIS - A spectrometer for determining a composition of a sample is described. The spectrometer includes a radiation source, a detector, and a processing device coupled to the radiation source and the detector. The radiation source is configured to generate a primary beam of radiation to be directed toward the sample. The detector is configured to generate a detector signal representative of a secondary beam of radiation from the sample after being impinged by the primary beam of radiation. The processing device is configured to control operation of the spectrometer in connection with performing a first elemental analysis of the sample. The processing device is also configured to determine an alloy grade of the sample based on the detector signal generated in connection with the first elemental analysis. Furthermore, the processing device is configured to determine at least one measurement condition based at least partially on the alloy grade. | 10-10-2013 |
20130282305 | Method and Apparatus for Determining Volume Fractions in A Multiphase Flow - A method, apparatus and computer program product for measuring a composition of a multiphase fluid, including radiating a photon beam through the multiphase fluid and measuring radiation absorption by the multiphase fluid for at least three energy levels to obtain measured radiation absorption data, and providing the measured radiation absorption data to processing unit configured to calculate the composition of the multiphase fluid using the measured radiation absorption data, whereby an effect of an injected fluid on the absorption of the photon beam is taken into account during calculation of the composition of the multiphase fluid. | 10-24-2013 |
20130317758 | Hypothesis-Driven Classification of Materials Using Nuclear Magnetic Resonance Relaxometry - Technologies related to identification of a substance in an optimized manner are provided. A reference group of known materials is identified. Each known material has known values for several classification parameters. The classification parameters comprise at least one of T | 11-28-2013 |
20140032131 | Automated EDS Standards Calibration - This invention relates to a method and system for determining the composition of an unknown sample. The present invention comprises a method of calibrating an x-ray spectrometer that does not require measuring all possible elements under the operating conditions used to measure the unknown sample to be analyzed. According to a preferred embodiment, the local instrument can be calibrated from an x-ray spectrum of a single elemental standard. The instrument will have a stored library containing high quality spectra for all elements being analyzed. The analysis of the single element is compared to the library spectra for that element to define a transformation that is used to create a calibrated spectra library that includes a calibrated spectrum for each spectrum in the original library. As a result, the spectra generated by the local instrument can be compared to the calibrated library spectra to determine the elements in an unknown mineral. | 01-30-2014 |
20140052386 | Systems and Methods for Handheld Raman Spectroscopy - A fiber optic input receives light reflected from an unknown compound. An input mask encodes the light received with a one-dimensional input code. A spectral imaging subsystem images the input coded mask and disperses the image. An output mask receives the dispersed image on a row and, at each time step of a plurality of time steps, changes the code of the row to further encode the image. An illumination subsystem collects the additionally encoded light from the row at each time step. A point detector receives the collected light from the illumination subsystem and converts it to an electrical signal at each time step. A memory stores the electrical signal at each time step. A processor calculates a spectral signature for the unknown compound from the electrical signals stored, the one-dimensional input code, and the different additional one-dimensional codes applied. | 02-20-2014 |
20140107942 | APPARATUS AND METHODS FOR CHIRALITY DETECTION - Technologies are generally described for systems and methods for detecting chiral properties of materials and separating materials based on their chiral properties. A chiral vector is constructed from anisotropy properties of a polarization-dependent output signal from a sample. Different types of molecules from the sample can be differentiated based on a magnitude of the chiral vector. Chiral properties of the sample can be detected based on an angle of the chiral vector. The output signal can be a fluorescent emission from the sample and can be used to detect chiral properties of a substantially opaque sample. | 04-17-2014 |
20140149052 | Methods and Systems for Material Characterization - A method for determining information regarding an object comprising particles includes obtaining a wave function representative of the object detected at a detection surface of a detection system for detecting the wave function, deriving at least two spatial frequencies of the detected wave function, and deriving for each of the at least two spatial frequencies at least a phase based on the obtained wave function. A functional relationship between the spatial frequency and the phase is analyzed for the spatial frequencies. At least one parameter indicative of a property of the object is derived therefrom. A corresponding system involves the method as well as corresponding computer-related products. | 05-29-2014 |
20140156206 | Detection and Quantification of Polypeptides Using Mass Spectrometry - The invention relates to the detection and quantification of polypeptides using mass spectrometry. Specifically, the invention provides a method for testing whether a target polypeptide is present in a sample of a set of polypeptides, a method for deriving a value for distinguishing polypeptides of a set of polypeptides from each other, a database containing values for distinguishing each polypeptide of a set of polypeptides from each other, and an apparatus for configuring a mass scan of a mass spectrometer to test whether a target polypeptide of a set of polypeptides is present in a sample of the set. | 06-05-2014 |
20140163902 | MASS ANALYSIS DATA ANALYZING METHOD AND APPARATUS - A method and apparatus for estimating the structure of an unidentified substance produced from an original substance having a known structural formula through partial structural change caused by metabolism or the like. A mass difference between a product ion, originating from the unidentified substance and having a partial structure including a structural change site, and a product ion, originating from the original substance and having a partial structure prior to the structural change, is equal to the mass difference between the original substance and the unidentified substance. Therefore, when pairs of product ions each having such a mass difference are selected to be compared with partial structures obtained from the known structural formula of the original substance, a minimum common partial structure having the structural change site is obtained. | 06-12-2014 |
20140172324 | ADAPTIVE OPTICS SYSTEM - A disclosed method involves: receiving, by a processing device, a first plurality of photon count values indicating a number of photons detected by an optical system during a plurality of first time periods as a result of laser beam excitation of an observation volume of a sample during fluorescence fluctuation microscopy analysis; calculating, by the processing device based on the first plurality of photon count values, a first count rate per molecule indicating the average number of photons detected per molecule of the observation volume; and generating, by the processing device based on the first count rate per molecule, a control signal for configuring a phase modulation device of the optical system. | 06-19-2014 |
20140249766 | METHOD AND SYSTEM FOR MASS SPECTROMETRY DATA ANALYSIS - In estimating a structural formula of an unknown substance produced through partial structural change of an original substance having a known structure caused by metabolism or the like, structural change is considered in two stages, the elimination of a partial structure and the addition of another partial structure. First, an additional partial structure is collected as known information in addition to an MS | 09-04-2014 |
20140278147 | CRYSTALLINE PHASE IDENTIFICATION METHOD, CRYSTALLINE PHASE IDENTIFICATION DEVICE, AND CRYSTALLINE PHASE IDENTIFICATION PROGRAM - A crystalline phase identification method, a crystalline phase identification device, and a crystalline phase identification program which can conduct qualitative analysis with higher precision are provided. The crystalline phase identification method for identifying crystalline phases contained in a sample by powder diffraction pattern of the sample with use of database includes: a whole pattern fitting step of subjecting a first diffraction pattern which is the powder diffraction pattern to whole pattern fitting with the use of crystalline phase information contained in the sample to calculate a theoretical diffraction pattern of the crystalline phase(s) already identified; a residual information generating step of generating residual information on the sample on the basis of a difference between the theoretical diffraction pattern and the first diffraction pattern; and a residual information search and matching step of comparing the residual information with the database to select a new crystalline phase contained in the sample. | 09-18-2014 |
20140297201 | COMPUTER-ASSISTED STRUCTURE IDENTIFICATION - The invention relates to a method for analysing mass spectral data obtained from a sample in GC×GC (2-dimensional) mass spectrometry, comprising: (a) comparing mass spectral data of an analyte with mass spectral data of candidate compounds of known structure in a data library; (b) identifying a plurality of candidate compounds from the library based on similarities of mass spectral data; (c) predicting, for each candidate compound, a value of at least one analytical property using a quantitative model based on a plurality of molecular descriptors; and (d) calculating a match score for each candidate compound based on the value predicted in step (c) and a measured value of the analytical property for the analyte. | 10-02-2014 |
20140297202 | NONDESTRUCTIVE METHOD TO DETERMINE CRYSTALLINITY IN AMORPHOUS ALLOY - One embodiment provides a method of determining an unknown degree of crystallinity, the method comprising: constructing a master curve plot comprising a plurality of reference curves, each reference curve representing a relationship between electrical resistivity and temperature for one of a plurality of reference alloy samples having a chemical composition and various pre-determined degrees of crystallinity; for an alloy specimen having the chemical composition and the unknown degree of crystallinity, obtaining a curve representing the electrical resistivity and temperature thereof; and determining the unknown degree of crystallinity by comparing the curve to the master curve plot. | 10-02-2014 |
20140324362 | SHIFT CORRECTION FOR SPECTRAL ANALYSIS - Techniques are described for resolving and identifying peaks of signal intensity in mass chromatograms so that the peaks may be associated with components (e.g., chemical and/or ionic species) representative of an analysis sample to identify the components. The techniques facilitate correction of shift errors in the peaks of signal intensity of the mass chromatograms. | 10-30-2014 |
20140343873 | METHODS FOR QUANTITATIVE ANALYSIS OF METABOLIC MIXTURES BY 2D 13C-CONSTANT-TIME TOCSY NMR SPECTROSCOPY - This disclosure provides for new methods for quantification of metabolite concentrations in metabolomics studies, which addresses the difficulties in quantification through 1D peak integrals due to significant peak overlaps in metabolomics samples. For samples from uniformly | 11-20-2014 |
20140350867 | SYSTEM FOR PRODUCING LIQUID COMPOSITION - The present invention is directed to a system for producing a target composition having one or more target property values. The system provides real time measurements of property values of the target composition being produced. The system can further provide real time image of the target composition for quality control and adjustment on one or more property values, such as color property values. The system can be used for producing the target composition, such as coating compositions, with improved quality control and increased productivity. The system can be used for OEM or refinish coating manufacturing or small volume paint mixing or adjustment operations. | 11-27-2014 |
20140358451 | Fractional Abundance Estimation from Electrospray Ionization Time-of-Flight Mass Spectrum - Methods and systems for detecting and quantifying signal peaks from ESI-TOF-MS data may include creating a signal model and a noise model for mass spectrometry (MS) data. The method may also include detecting a signal peak based, at least in part, on the signal model and the noise model for the MS data. The method may further include determining an amplitude of the detected signal peak based, at least in part, on the signal model and the noise model for the MS data. | 12-04-2014 |
20140379278 | APPARATUS AND METHODS OF SPECTRAL SEARCHING USING WAVELET TRANSFORM COEFFICIENTS - Apparatus and methods of spectral searching that employ wavelet coefficients as the basis for the searching. The disclosed apparatus and methods employ a wavelet lifting scheme to transform spectroscopic data corresponding to an unknown pure material/mixture to a vector of wavelet coefficients, compare the wavelet coefficient vector for the unknown pure material/mixture with a library of wavelet coefficient vectors for known pure materials/mixtures, and identify the closest match to the unknown pure material/mixture based on the comparison of wavelet coefficient vectors. Because the wavelet lifting scheme can generate the wavelet coefficient vectors for the unknown pure material/mixture as well as the known pure materials/mixtures to conform to a desired compression level, the disclosed apparatus and methods can perform spectral searching with increased speed and reduced memory requirements, thereby making the disclosed apparatus and methods amenable for use in hand-held instruments for on-site material identification. | 12-25-2014 |
20140379279 | Method of Processing Spectrometric Data - A method of characterising 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 analyses 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 ( | 12-25-2014 |
20150100249 | Method for Deciding Whether a Sample is Consistent with an Established Production Norm for Heterogeneous Products - A method of analysis of a heterogeneous product, for example heparin or heparin derivatives, to define whether said heterogeneous product is consistent with a library of verified heterogeneous samples (Library 1) by analysing the variation, natural or alien. The acceptable variation of the heterogeneous product is determined by comparing Library 1 with a second set of verified spectra (Library 2), by use of comparative two-dimensional correlation spectroscopic filtering (comparative 2D-COS-f). The method comprises obtaining a one-dimensional complex spectrum, for example | 04-09-2015 |
20150120213 | SYSTEM AND METHOD FOR IDENTIFYING AND DISTINGUISHING MATERIALS, METHOD FOR IDENTIFYING OR DISTINGUISHING MATERIALS, AND MEASURING DEVICE FOR RECORDING MATERIAL PROPERTIES OF MATERIALS - A system for identifying or distinguishing materials, comprising at least one local apparatus and a central station. Each local apparatus comprises at least one measuring device for recording at least one actual signature for materials each and at least one local computer communicatively connected to the at least one measuring device, the at least one local computer having a local database for storing and/or processing the actual signature. The at least one central station comprises a server having a central database for storing and/or processing the actual signatures of the local apparatus. Furthermore, the system comprises a network, which communicatively connects the local computers of the local units via the server of the center. The invention further relates to a corresponding method for operating a system, to an analysis method for identifying or distinguishing the materials, and to a measuring device for recording material properties of the materials. | 04-30-2015 |
20150134269 | TEXTURE ANALYSIS OF A COATED SURFACE USING KEPLER'S PLANETARY MOTION LAWS - A method that includes obtaining, using a processor, reflectance data from a target coating and calculating, using the processor, virtual color response data using one of at least one Kepler's laws of planetary motion equation and at least one derivation of at least one Kepler's laws of planetary motion equation. The method also includes generating, using the processor, a coating formulation that is the same or substantially similar in appearance to the target coating. | 05-14-2015 |
20160061719 | Method for Characterising a Product by Means of Topological Spectral Analysis - The invention relates to a method for characterising a target product, including the steps of: (a) forming a bank of spectral data comprising samples; (b) having measured characteristics and spectra; (c) performing a spectral analysis of the target product and comparing the spectrum obtained with the spectral data in the data bank; (d) identifying the “near neighbour” points of the target product; and (e) performing a topological calculation of the characteristic of the target product as a function of the corresponding characteristics of the near neighbour points, based on a weighting linked to the inverse of the distance between the target product and the near neighbour points. | 03-03-2016 |
20220136959 | TECHNIQUES FOR SELECTION OF LIGHT SOURCE CONFIGURATIONS FOR MATERIAL CHARACTERIZATION - Techniques for selecting a spectroscopic light source include obtaining a light source dataset and a spectroscopic dataset, initializing a genetic algorithm, selecting a first individual solution and a second individual solution from an initial generation of solutions, generating a new individual solution from the first and second individual solutions by combining their respective chromosome encodings, evaluating a specificity of the new individual solution to a target material, adding the new individual solution to a new generation of solutions, populating the new generation of solutions with a plurality of additional individual solutions, generating one or more descendent generations of solutions by iterating the genetic algorithm, selecting one or more implementation individual solutions exhibiting a threshold specificity to the target material, and outputting the one or more implementation individual solutions. | 05-05-2022 |
20220136966 | PROTEIN SECONDARY STRUCTURE PREDICTION - An artificial intelligence model receives a FTIR spectrum of a given ingredient to predict its protein secondary structure. The model includes three artificial modules, which generate three predicted values corresponding to structural categories (e.g., α-helix, β-sheet, and other) of the predicted secondary structure. Proteins may be compared for similarity based on predicted values corresponding to the structural categories of the predicted secondary structure. | 05-05-2022 |