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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...
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...
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.
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...
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.
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...
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...
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...
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...
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...
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...
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...
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)...
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...
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.
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...
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...
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
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...
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...
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...
US20050171000 Three dimensional coordinates of melanocortin-4 receptors  
Three-dimensional coordinates of melanocortin-4 receptors are useful in computer aided drug design.
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...
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.
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)...
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...
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...
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...
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...
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...
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...
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...
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...
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...
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...
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...
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...
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...
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...
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...
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...
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...
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,...
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...
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...
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...
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.
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...
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,...
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...

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