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US20130124108 |
SYSTEM AND METHOD FOR DETERMINING THE ISOTOPIC ANATOMY OF ORGANIC AND VOLATILE MOLECULES
A computer implemented system and method for determining the isotopic anatomy of molecules. The system receives a user identified molecule that is to be analyzed, makes an initial guess as to the... |
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US20140249765 |
METHOD AND SYSTEM FOR ANALYZING SUGAR-CHAIN STRUCTURE
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... |
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US20110196620 |
OPPORTUNITY SECTOR ANALYSIS TOOL
The present invention refers to a method for evaluating, comparing and selecting entities over a broad variety of technical fields. Preferably, the entities are pharmaceutical drugs. |
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US20140134745 |
METHOD FOR EVALUATION OF LIGNIN
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... |
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US20130325354 |
COMPUTERIZED METHOD FOR CORRELATING AND ELUCIDATING CHEMICAL STRUCTURES AND SUBSTRUCTURES USING MASS SPECTROMETRY
The present invention is directed to a computational method for correlating and elucidating a mass spectrum with one or more proposed chemical structures. |
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US20110153226 |
SPECTRAL SEARCHING METHOD FOR SUBSTANCE IDENTIFICATION
Methods, systems and computer program products for identifying components of an unknown mixture using spectral analysis techniques. The method includes comparing the spectrum of the unknown... |
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US20140297202 |
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... |
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US20110022331 |
Assay Information Management Methods and Devices
The present invention relates to methods, devices and systems for associating assay information with an assay consumable used in a biological assay. Provided are assay systems and associated... |
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US20070143035 |
Diagnostic test reader with disabling unit
A diagnostic test reader including a test unit and a disabling unit. The test unit is configured to perform one or more tests. Each of the one or more tests employs a diagnostic assay to analyze... |
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US20080275655 |
Database supported nanocrystal structure identification by lattice-fringe fingerprinting with structure factor extraction
Candidate structures for nanocrystal and other specimens are obtained based on a specimen complex spectrum that is determined as a Fourier transform of a phase-contrast electron micrograph. The... |
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US20110053261 |
METHODS FOR DETERMINING CORRELATED RESIDUES IN A PROTEIN OR OTHER BIOPOLYMER USING MOLECULAR DYNAMICS
The invention provides methods and systems of determining biopolymer profiles and correlations between structural units (residues) of a biopolymer based on sampling of the conformational space... |
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US20140311750 |
FINANCIAL METHODS FOR WATERFLOODING INJECTATE DESIGN
A method of selecting an injectate for recovering liquid hydrocarbons from a reservoir includes designing a plurality of injectates, calculating a net present value of each injectate, and... |
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US20120310549 |
MOLECULE ALIGNMENT
Provided is a computer-based method of aligning a plurality of molecules including: (i) providing one or more conformers for each molecule; (ii) identifying triplets for each conformer; (iii)... |
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US20120109537 |
METHOD OF GENERATING A MASS SPECTRUM HAVING IMPROVED RESOLVING POWER
A method is disclosed for generating a mass spectrum, e.g. for Fourier transform mass spectrometry, having improved resolving power. The method includes steps of acquiring a plurality of mass... |
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US20150007490 |
Oxygenated Butanol Gasoline Composition Having Good Driveability Performance
Gasoline blends and methods for producing gasoline blends containing high concentrations of a butanol isomer and having good cold start and warm-up driveability characteristics are disclosed. |
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US20050090994 |
Computing a residue fingerprint for a molecular structure
A method, system, and computer program product are provided to develop a residue fingerprint for a molecular structure (such as a ligand). Based on the residues of a reference structure (such as a... |
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US20090192726 |
Electrochemical Composition Detection Device and Method Thereof
A lighting system is provided that includes at least one lighting device, at least one connector, and a plurality of external power sources. The lighting device includes at least one lighting... |
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US20050181982 |
Crystal structures of anti-factor IX Fab fragments and methods of use for peptidomimetic design
Novel anti-Factor IX Fab fragment crystalline structures are identified. Methods of identifying peptidomimetics of these fragments are disclosed |
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US20140297186 |
Rock Classification Based on Texture and Composition
A methodology provides improved rock classification. The rock classification may be based on characteristics such as texture and composition. Initially, data is obtained on rock in a given... |
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US20090248321 |
Conformation analysis device, analysis method, conformational notation device and notation method
A conformation analysis device and analysis method with which discrimination can be achieved even if there is a subtle difference in a conformational structure, a given molecule can be processed... |
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US20130110412 |
METHOD AND DEVICE FOR COMPUTING MOLECULAR ISOTOPE DISTRIBUTIONS AND FOR ESTIMATING THE ELEMENTAL COMPOSITION OF A MOLECULE FROM AN ISOTOPIC DISTRIBUTION
The current invention concerns a method for identifying the elemental composition of and/or quantifying the presence of mono-isotopic elements in a molecule in a sample by computing a solution of... |
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US20050171000 |
Three dimensional coordinates of melanocortin-4 receptors
Three-dimensional coordinates of melanocortin-4 receptors are useful in computer aided drug design. |
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US20130244336 |
ODOUR AND/OR GAS IDENTIFICATION SYSTEM
A method for identifying an odour and/or gas, an odour and/or gas is measured with a portable electronic device comprising a chemical sensor, the chemical sensor being sensitive to different... |
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US20090265114 |
Influenza virus neuraminidase crystal structure and their use thereof
The invention relates to crystals of the influenza virus neuraminidase protein, their structures and their use. |
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US20070213957 |
Method and system for clustering objects and finding prime redescriptors for the clusters
Disclosed are a method of and system for clustering objects and finding prime redescriptors for the clusters of objects. The method comprises the step of forming a matrix, including (i)... |
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US20090112486 |
METHOD FOR DESIGNING A SUBSTITUTE COMPONENT FOR A MODIFIED SYSTEM
A material useful as a substitute component for a modified system is synthesized to exhibit a sigma profile that produces a selected property of the modified system having a value that meets a... |
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US20060184328 |
Determining and/or monitoring
A method of determining a function and a method of monitoring using a function is provided in which the function relates the proportion of one or more radionuclides detectable using a radiometric... |
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US20080167824 |
Systems and methods for sequencing carbohydrates
In many aspects, the systems and methods of the invention are directed to sequencing of carbohydrates by mass spectrometry using computational approaches. The systems and methods utilize data... |
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US20150081220 |
SYSTEMS AND METHODS FOR THE IDENTIFICATION OF COMPOUNDS USING ADMITTANCE SPECTROSCOPY
Described herein are systems and methods for determining the location, composition and concentration of a hydrocarbon containing plume in environmental seawater. These systems and methods... |
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US20140356324 |
CRYSTAL OF RECOMBINANT INTERFERON WITH ALTERED SPATIAL CONFIGURATION, THREE-DIMENSIONAL STRUCTURE AND USES THEREOF
This invention provides crystalline recombinant interferon (rSIFN-co (SEQ ID NO: 1)) having (i) the same amino acid sequence as that of human consensus interferon, and (ii) altered... |
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US20150242565 |
METHOD AND DEVICE FOR ANALYZING MICROBIAL COMMUNITY COMPOSITION
The present teachings relate to analysis of a sample including a plurality of species. In one example, sequences of fragments of polynucleotides of the sample are obtained. A reference set... |
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US20130071837 |
Method and System for Characterizing or Identifying Molecules and Molecular Mixtures
A system and method for identifying a material passing through a nanopore filter wherein an electrical signal is detected as a result of the passage and that signal is processed in real-time using... |
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US20120059599 |
HYBRID FRAGMENT-LIGAND MODELING FOR CLASSIFYING CHEMICAL COMPOUNDS
A system and method generate a structure activity relationship model to determine whether unknown chemical compounds are of a desired classification where the structure activity relationship model... |
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US20130197815 |
MANAGEMENT OF REFERENCE SPECTRAL INFORMATION AND SEARCHING
A processing application receives peak information associated with multiple known references samples. The processing application partitions a spectrum into multiple different sized range bins such... |
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US20140309947 |
Method for Identification and Quantitative Determination of an Unknown Organic Compound in a Gaseous Medium
A method for identifying and quantitatively analyzing an unknown organic compound in a gaseous medium. More specifically, the method provides a gas sensor array (120a, 120b, 120c, 120d) coupled to... |
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US20140214338 |
POLYMER SIDE CHAIN ANALYSIS METHOD AND POLYMER SIDE CHAIN ANALYSIS DEVICE
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... |
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US20120158317 |
PRECISION PEAK MATCHING IN LIQUID CHROMATOGRAPHY-MASS SPECTROSCOPY
A method that identifies common peaks among unidentified peaks in the data from different LC-MS or LC-MS/MS runs is provided. The method employs an algorithm, herein referred to as “Precision Peak... |
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US20120158316 |
PRECISION PEAK MATCHING IN LIQUID CHROMATOGRAPHY-MASS SPECTROSCOPY
A method that identifies common peaks among unidentified peaks in the data from different LC-MS or LC-MS/MS runs is provided. The method employs an algorithm, herein referred to as “Precision Peak... |
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US20080052011 |
DETERMINATION OF CHEMICAL COMPOSITION AND ISOTOPE DISTRIBUTION WITH MASS SPECTROMETRY
A method for determining elemental composition of ions from mass spectral data, comprising obtaining at least one mass measurement from mass spectral data; obtaining a search list of candidate... |
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US20050265906 |
Apparatus and Method for Preventing Radioactive Contamination of Radiopharmaceutical Manufacturing Components
A system and method for manufacturing radiopharmaceuticals uses only pressure to transfer radioactive reactants from a reactant vessel to purification and storage, thereby preventing radioactive... |
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US20080139449 |
X-Ray Structure of Human Fpps and Use For Selecting Fpps Binding Compounds
The present invention relates to crystalline human farnesyl diphosphate synthase (FPPS), to the three-dimensional structure of free FPPS as well as the three-dimensional structures of FPPS in... |
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US20130131998 |
Methods and Apparatus for Identifying Mass Spectral Isotope Patterns
A method for automatically identifying groups of related peaks generated in a chromatography-mass spectrometry experiment comprises automatically choosing a time window defining a region of... |
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US20070093971 |
Physics-based signal processing algorithms for micromachined cantilever arrays
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,... |
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US20130245964 |
METHOD FOR ESTIMATING ENERGY LOSS OF HIGH POLYMER MATERIAL
A method for estimating an energy loss of a high polymer material is disclosed. A model of the molecular structure of the high polymer material is defined. This model includes particle models and... |
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US20060287834 |
VIRTUAL MASS SPECTROMETRY
Systems, methods, computer programming product, and databases for virtual mass spectrometry (VMS) enable the identification of polypeptides in samples without acquisition of MS/MS fragmentation... |
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US20090093973 |
Electronic State Calculation Method, Electronic State Calculation Device, Computer Program, and Recording Medium
By receiving input of a crystal structure and atom numbers, and specifying an atom group that can generate fluctuations from an electronic state calculation of a normal Kohn-Sham theory, an... |
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US20140180603 |
SELF-SIMILAR ORDERED MICROSTRUCTURAL ARRAYS OF AMPHIPHILIC MOLECULES
The invention pertains, at least in part, to a method for determining the structure of an amphiphilic molecule using Self-Similar Microstructure Arrays. |
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US20110166797 |
ACOUSTIC DETERMINATION OF PROPERTIES OF RESERVOIRS AND OF FLUIDS CONTAINED THEREIN
The invention provides devices and methods for acoustically determining the properties of the contents of one or more reservoirs in a plurality of reservoirs. Each reservoir is adapted to contain... |
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US20130325363 |
Controlling Melt Fracture in Bimodal Resin Pipe
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,... |
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US20120197545 |
DETERMINATION OF FRACTIONAL COMPOSITIONS USING NONLINEAR SPECTROPHONOMETRY
Applicants have discovered new methods and apparatuses for determining the fractional composition of a component in a multi-component mixture using multivariate statistical analysis of the... |