Chemical Patents (Class 703/12)
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Patent number: 7395194Abstract: A system (1) has a server (2) linked with PC clients (5), in turn connected to test equipment (10). A design-of-experiment (DOE) engine (20) generates a series of run objects (21), each defining a variation of an equipment run. The inputs to the DOE engine (20) are a selected procedure object (25) and experiment variations. The engine (20) automatically determines all task objects (26), resource objects (27), and parameter configuration objects (28) linked with the selected procedure object (25). The variations may be variations in the hierarchical links and/or different values for the parameter configurations (28). There is a run object (21) associated with each variation permutation.Type: GrantFiled: December 18, 2003Date of Patent: July 1, 2008Assignee: Kinematik Research LimitedInventors: Richard Sean O'Rourke, David O'Rourke, Kevin Keenan
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Publication number: 20080140376Abstract: A method of optimizing a chemical reaction in a plate-type open reactor, the method consisting in: establishing a dynamic model of the reactor for a given reaction on the basis of a model of the reactor and its heat exchanges; applying an integration software tool to the dynamic model in order to solve the above-mentioned equations; determining and optimizing a set of dimension and/or operation parameters of the reactor on the basis of evaluating targets to be achieved, constraints to be complied with, and variable data for the reactor and/or the reaction; building a plate reactor of the said type accordingly to the set of optimized parameters; and doing measurements of physical parameters during the execution of said reaction in the built reactor, for validating its operation.Type: ApplicationFiled: July 5, 2007Publication date: June 12, 2008Inventors: Sebastien Elgue, Fabrice Chopard, Michel Roger Cabassud, Patrick Alain Cognet, Laurent Emile Georges Prat, Christophe Jacques Jean Gourdon
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Publication number: 20080140375Abstract: A method for evaluation of a multi-component medicine comprising judging the degree of difference of the multi-component medicine to be evaluated from a group of multi-component medicines selected as a reference group by using a Mahalanobis distance obtained by a process comprising the following steps (1) to (8), (1) a step of obtaining fingerprint data of three-dimensional high performance liquid chromatography of the multi-component medicine to be evaluated, (2) a step of combining the fingerprint data obtained in (1) with fingerprint data of three-dimensional high performance liquid chromatography of other multi-component medicines of the same kind forming a reference group, (3) a step of allocating variable axes in the MT method to the number of multi-component medicine and either the elution time or detection wavelength of the fingerprint data of (2) above and regarding a signal strength as a characteristic amount in the MT method, (4) a step of obtaining a unit space from the characteristic amount ofType: ApplicationFiled: June 6, 2005Publication date: June 12, 2008Applicant: Tsumura & Co.Inventors: Kouya Yano, Naoko Hattori
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Publication number: 20080120575Abstract: A molecule design support apparatus has an input part, a display to display on a screen thereof a three-dimensional molecular structure by a half vector format or a ball-and-stick format, and a determining part to determine, in the molecular structure, an end that is to become a target of a coordinate modification with respect to a molecule in its entirety, in response to a bond axis of the molecule specified from the input part. The apparatus further has a modifying part to make a modification of the molecular structure based on the specified bond axis and the end that is the target of the coordinate modification, in response to the modification specified from the input part, and a display part to display a modified molecular structure on the screen of the display based on a determination made by the determining part and the modification made by the modifying part.Type: ApplicationFiled: October 24, 2007Publication date: May 22, 2008Inventors: Hiroyuki Sato, Azuma Matsuura
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Publication number: 20080103748Abstract: System and method for integrated management of a biofuel distillation process and a biofuel dehydration process of a biofuel production process, comprising a dynamic multivariate model-based controller coupled to a dynamic multivariate predictive model. The model is executable to: receive distillation and dehydration process information including biofuel compositions, receive an objective for biofuel production output from the distillation and dehydration processes, e.g., target product composition, production rate, and/or feed rate, and generate model output comprising target values for a plurality of manipulated variables related to the distillation and dehydration processes in accordance with the objective. The controller is operable to dynamically control the biofuel production process by adjusting the plurality of manipulated variables to the model-determined target values in accordance with the objective for biofuel production.Type: ApplicationFiled: September 27, 2007Publication date: May 1, 2008Inventors: Celso Axelrud, Maina A. Macharia, Michael E. Tay
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Publication number: 20080088046Abstract: An amphoteric liposome composed of a mixture of lipids, said mixture comprising a cationic amphiphile, an anionic amphiphile and optionally one or more neutral amphiphiles, at least one of said cationic and anionic amphiphiles being chargeable and the respective amounts of said cationic and anionic amphiphiles being selected such there is a stoichiometric excess of positively charged cationic amphiphile at a first lower pH, a stoichiometric excess of negatively charged anionic amphiphile at a second higher pH and said mixture has an isoelectric point intermediate said first and second pHs; characterised in that said positively charged cationic and negatively charged anionic amphiphiles are adapted to form a lipid salt with one another at said isoelectric point. Also disclosed are methods of predicting the fusogenicity of an amphoteric liposome at a given pH, formulating an amphoteric liposome and loading an amphoteric liposome with a cargo moiety.Type: ApplicationFiled: October 13, 2006Publication date: April 17, 2008Inventor: Steffen Panzner
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Publication number: 20080082308Abstract: A system and method for detecting abnormal operation of a hydrocracker includes a model to model the hydrocracker. The model may be configurable to include one or more regression models corresponding to different operating regions of the portion of the hydrocracker. The system and method may also determine if a monitored temperature difference variable deviates significantly from the temperature difference variable predicted by the model. If there is a significant deviation, this may indicate an abnormal operation.Type: ApplicationFiled: September 27, 2007Publication date: April 3, 2008Applicant: FISHER-ROSEMOUNT SYSTEMS, INC.Inventors: Ravi Kant, John P. Miller, Tautho H. Nguyen
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Patent number: 7353152Abstract: The present invention relates generally to a mathematical and computer model of diabetes related disorders (e.g., human type 2 diabetes) within the framework of multiple macronutrient metabolism. The model includes a representation of complex physiological control mechanisms directing, for example, fat metabolism, protein metabolism and/or carbohydrate metabolism. In one embodiment, for example, the model can account for the interconversion between macronutrients, as well as their digestion, absorption, storage, mobilization, and adaptive utilization, as well as the endocrine control of these processes. In this embodiment, the model can simulate, for example, a heterogeneous group of diabetes related disorders, from insulin resistant to severe diabetic, and can predict the likely effects of therapeutic interventions.Type: GrantFiled: January 9, 2002Date of Patent: April 1, 2008Assignee: Entelos, Inc.Inventors: Paul Brazhnik, Kevin Hall, Dave Polidori, Scott Siler, Jeff Trimmer
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Patent number: 7340315Abstract: A design supporting system includes a unit that acquires, from a component design supporting program which is executed in a client terminal, component design information including volume information indicative of a volume of a designed component, a unit that generates list information that is indicative of a list of names of usable materials for the component classification corresponding to the designed component, and sends the list information to the client terminal, an acquisition unit that acquires, from the material database, controlled substance information corresponding to the material name that is selected from the list information by the client terminal, a unit that calculates a content of the controlled substance that is included in the designed component when the material of the selected material name is applied to the designed component, and a unit that outputs the calculated content of the controlled substance as evaluation information of the designed component.Type: GrantFiled: December 7, 2004Date of Patent: March 4, 2008Assignee: Kabushiki Kaisha ToshibaInventors: Kenji Ozasa, Kazuyuki Matsuda
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Publication number: 20080052058Abstract: The present invention relates generally to polyolefin production and to reducing volatile organic content (VOC) associated with the polyolefin. Techniques include the construction and implementation of a purge column model to calculate or estimate the VOC content in the polyolefin exiting the purge column. The techniques facilitate the design and operation of the polyolefin manufacturing process.Type: ApplicationFiled: August 27, 2007Publication date: February 28, 2008Inventor: Timothy O. Odi
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Patent number: 7330804Abstract: A constrained non-linear approximator for empirical process control is disclosed. The approximator constrains the behavior of the derivative of a subject empirical model without adversely affecting the ability of the model to represent generic non-linear relationships. There are three stages to developing the constrained non-linear approximator. The first stage is the specification of the general shape of the gain trajectory or base non-linear function which is specified graphically, algebraically or generically and is used as the basis for transfer functions used in the second stage. The second stage of the invention is the interconnection of the transfer functions to allow non-linear approximation. The final stage of the invention is the constrained optimization of the model coefficients such that the general shape of the input/output mappings (and their corresponding derivatives) are conserved.Type: GrantFiled: June 27, 2001Date of Patent: February 12, 2008Assignee: Aspen Technology, Inc.Inventors: Paul Turner, John P. Guiver, Brian Lines, S. Steven Treiber
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Publication number: 20080033705Abstract: Data from kinetic surface plasmon resonance measurements are fitted to time-profile curves. Time profile curves with sub-threshold curvature are flagged as being insufficient to provide reliable determinations of kinetic parameters and binding affinity. The remaining curves are used to calculate the kinetic parameters and binding affinity, obviating the need for multiple runs for these purposes. The resulting increase in throughput enables drug discovery methods in which kinetic measurements are performed earlier in the screening processes, e.g., so that all or most primary-screen hits can be subjected to data-rich kinetic measurements for screening purposes.Type: ApplicationFiled: August 7, 2006Publication date: February 7, 2008Inventors: Magdalena Bynum, William Henry Wilson
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Patent number: 7321810Abstract: Certain exemplary embodiments provide a method comprising: for an electrical power system comprising a plurality of committed electrical power generating units: for each of the committed electrical power generating units, obtaining an optimal power output temporal trajectory, the optimal power output temporal trajectory constrained by a ramping limit of the committed electrical power generating unit; obtaining an optimal power reserve temporal trajectory for each of the committed electrical power generating units; and assigning each of the optimal power output temporal trajectories to the respective electrical power generating units so that, over a predetermined consecutive set of time intervals, an integrated cost of system power output is minimized and a system reserve requirement is met.Type: GrantFiled: May 7, 2004Date of Patent: January 22, 2008Assignee: Siemens Power Transmission & Distribution, Inc.Inventors: Ashmin Mansingh, Haso Peljto, Mike York, Dingguo Chen
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Publication number: 20070299619Abstract: In a process control system, the hidden properties of a catalyst are estimated by including those properties in hidden states within a state space model and solving the state space model based on measurable inputs and outputs of the process.Type: ApplicationFiled: June 21, 2006Publication date: December 27, 2007Inventors: Karel Marik, Roman Navratil, Petr Stluka
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Patent number: 7313507Abstract: A system and method for spatially profiling a distribution of hydrophobicity of a transmembrane protein includes a scaler which generates scaled hydrophobicity values for the transmembrane protein, and a profiler which spatially profiles a hydrophobicity distribution for the transmembrane protein based on the scaled hydrophobicity values.Type: GrantFiled: September 3, 2003Date of Patent: December 25, 2007Assignee: International Business Machines CorporationInventor: Benjamin David Silverman
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Patent number: 7297940Abstract: Apparatus, methods, and program products are disclosed that classify spectral peaks in dissociation spectrum data and thereby improves the efficiency of molecular sequencing.Type: GrantFiled: May 3, 2005Date of Patent: November 20, 2007Assignee: Palo Alto Research Center IncorporatedInventor: Marshall W. Bern
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Patent number: 7292966Abstract: A method of simulating deformation of a rubber material with a filler part made of one filler particle and a rubber part surrounding the filler pan, comprises the steps of: dividing the rubber material into a finite number of elements to form a rubber material model; performing deformation calculation of the rubber material model based on a predetermined condition; and acquiring necessary data from the deformation calculation; wherein the step of dividing includes the steps of: dividing the filler part into a finite number of elements to form a filler model; and dividing the rubber part into a finite number of elements to form a rubber model disposed around the filler model, the rubber model having strain-rate dependence such that the viscoelastic property varies with strain rate thereof.Type: GrantFiled: September 16, 2005Date of Patent: November 6, 2007Assignee: Sumitomo Rubber Industries, Ltd.Inventor: Masato Naito
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Patent number: 7275025Abstract: A method and system for analyzing performance of a turbine. The turbine optimizer allows a user to evaluate the current performance of their turbine with its current configuration and the future performance of their turbine with a modified configuration. The turbine optimizer determines the current performance characteristic of the turbine based on the current configuration information. Upon receiving from a user a request to display the future performance characteristics, the turbine optimizer calculates the performance characteristics for that turbine if various modifications are made to its configuration. The turbine optimizer may provide a graph that illustrates the current performance characteristics and future performance characteristics with those modifications. The turbine optimizer may also calculate various financial estimates based on the current operating characteristics or future operating characteristics of the turbine.Type: GrantFiled: December 27, 2000Date of Patent: September 25, 2007Assignee: General Electric CompanyInventors: Jeffrey Chan, John Karl Reinker, Suresh Sharma
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Patent number: 7272508Abstract: The invention features computer-assisted methods for identifying molecules which will bind to the EPO receptor and act as an erythropoietin (EPO) mimetic. Preferred EPO mimetics identified using the method of the invention act as agonists of the EPO receptor in one or more in vitro or in vivo biological assays of EPO activity.Type: GrantFiled: October 17, 2005Date of Patent: September 18, 2007Assignee: The Scripps Research InstituteInventors: Ian A. Wilson, Oded Livnah, Enrico A. Stura, Dana L. Johnson, Linda K. Jolliffe
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Patent number: 7272545Abstract: An exemplary embodiment of the invention relates to a method, system, apparatus, and storage medium for designing and locating chemical structures. The apparatus comprises a user accessible chemical design and query tool comprising a user interface including an interactive host and a database storing a graphical representation of at least one chemical design structure. Upon accessing the chemical design and query tool by a user, the user interface guides the user in selecting a chemical design structure, and submitting the chemical design structure to a provider system. The invention also includes a method, system, and storage medium.Type: GrantFiled: May 22, 2002Date of Patent: September 18, 2007Assignee: General Electric CompanyInventors: Christine J. Phillips, Sandra Velez, Robert James Perry, Maia Alanna Navarrete
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Publication number: 20070213965Abstract: Systems and methods for intuitive visualization of the relationships between molecules. Acyclic and cyclic compounds are converted to base frameworks. The molecules are mapped with each base framework, representing a multitude of molecules, mapped as a single point. The base frameworks are positioned relative to each other using similarity tests as applied to metadata which are associated with the atoms and bonds frameworks of the molecules.Type: ApplicationFiled: March 2, 2007Publication date: September 13, 2007Inventors: Anthony J. Trippe, Karen A. Lucas, Jeffrey M. Wilson
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Patent number: 7266484Abstract: Technique for early detection of localized exposure to an agent active on a biological population include collecting time series for each data type of multiple different data types. The data types are relevant for detecting exposure to the agent. For each data type multiple time series are collected for corresponding multiple locations associated with the data type. Measures of anomalous conditions are generated at the locations for each of the different data types. The measures of anomalous conditions are based on the time series and a temporal model for each data type. Cluster analysis is performed on the measures of anomalous conditions to determine an estimated location, and an estimated extent, of effects from the agent. The techniques allow a surveillance system to avoid diluting the signal of a localized outbreak over too large and area or consuming excessive resources in computing replicas for a matched filter detector.Type: GrantFiled: December 2, 2002Date of Patent: September 4, 2007Assignee: The Johns Hopkins UniversityInventors: Joseph S. Lombardo, Howard S. Burkom, Farzad Mostashari, Eugene Elbert
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Patent number: 7231332Abstract: An apparatus and method for simulating phenomena of a combined particle formed of substrate particles and adsorbate particles. The simulated phenomena can include, for example, crystal growth, crystal surface adsorption and surface damage. The apparatus includes a kinetic condition setting unit and a particle motion computing unit. The kinetic condition setting unit sets information for defining kinetic conditions of the adsorbate particles. The particle motion computing unit generates the adsorbate particles in accordance with the information set by the kinetic condition setting unit and computes motion of the generated adsorbate particles, to simulate phenomena of the combined particle.Type: GrantFiled: July 8, 1997Date of Patent: June 12, 2007Assignee: Fujitsu LimitedInventors: Munetaka Takeuchi, Nozomu Kamiya, Hiromi Hayashi, Makoto Ishitobashi
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Patent number: 7231318Abstract: A predicted corrosion amount of a painted or unpainted atmospheric corrosion resistant steel is calculated by using extrinsic corrosion information including weather observation data, an amount of airborne salt, and an amount of sulfur oxide in a planned location for use where the atmospheric corrosion resistant steel is to be used, and intrinsic corrosion information on components of the atmospheric corrosion resistant steel. The weather observation data on this occasion preferably includes the annual wetness time, annual mean wind speed, and annual mean temperature. Moreover, it is preferable to calculate a corrosivity index, estimate a first-year corrosion amount of the atmospheric corrosion resistant steel and a rust stabilization index from the corrosivity index, and calculate a corrosion amount accumulated over time.Type: GrantFiled: July 11, 2002Date of Patent: June 12, 2007Assignee: Nippon Steel CorporationInventors: Hiroshi Kihira, Yasumori Fujii, Yoshiyuki Harada, Takashi Kusunoki, Norihito Fujikawa, Hiroshi Takezawa, Hiromichi Yasunami, Kazumi Matsuoka
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Patent number: 7222059Abstract: A simulated electrophoretic trace is prepared by first obtaining an input file containing an input base sequence comprising a string of letters (A, C, G and/or T) in an order corresponding to the input base sequence, and then modifying the input file using one or more functions to take into account perturbations associated with (1) changes in peak intensity as a function of base number; (2) peak shape as a function of base number; (3) peak skew; (4) spacing between peaks; (5) background; (6) noise; (7) spectral cross-talk; (8) instrumental effects and/or (9) gel electrophoresis effects to produce a modified file representing a simulated electrophoretic trace. The method may be performed using a specially adapted apparatus.Type: GrantFiled: November 15, 2002Date of Patent: May 22, 2007Assignee: Siemens Medical Solutions DiagnosticsInventors: Alexandre M. Izmailov, Thomas Yager
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Patent number: 7202434Abstract: A method of sorting sorting objects within a bulk of objects from a heterogeneous population is provided. The bulk of objects to be sorted has an inherent variation, and at least one class, having less variation than the originally inherent variation of the bulk, is separated from the bulk. This lesser variation represents a quality of composition with reference to any organic material of the objects within the bulk.Type: GrantFiled: July 3, 2002Date of Patent: April 10, 2007Assignee: Bomill ABInventors: Bo Lofqvist, Jesper Pram Nielsen
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Patent number: 7197404Abstract: The present system and method for simulating particles and waves is useful for calculations involving nuclear and full spectrum radiation transport, quantum particle transport, plasma transport and charged particle transport. The invention provides a mechanism for creating accurate invariants for embedding in general three-dimensional problems and describes means by which a series of simple single collision interaction finite elements can be extended to formulate a complex multi-collision finite element.Type: GrantFiled: March 1, 2004Date of Patent: March 27, 2007Inventor: Richard Andrew Holland
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Patent number: 7194395Abstract: A system and method for providing hazardous incident decision support and training includes a user interface component that receives situation definition data, a hazard assessment component and a decision aid. Decision support advice and decision prompts are presented by the system in response to the situation definition interface and hazard assessment. The hazard assessment and expert advice of the system are updated with elapsed time. In another embodiment of the present invention, graphical user interfaces are provided to display a set of menu entries wherein individual menu entries represent a hazardous incident characteristic. The user may select one or more of the menu entries to create a situation definition. Such definitions may be used, for example, to identify a hazardous agent based upon user-inputted signs and symptoms data.Type: GrantFiled: February 12, 2001Date of Patent: March 20, 2007Assignee: The United States of America as represented by the Secretary of the ArmyInventor: James A. Genovese
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Patent number: 7188055Abstract: A system, method, and computer program product for visualizing and interactively analyzing data relating to chemical compounds. A user selects a plurality of compounds to map, and also selects a method for evaluating similarity/dissimilarity between the selected compounds. A non-linear map is generated in accordance with the selected compounds and the selected method. The non-linear map has a point for each of the selected compounds, wherein a distance between any two points is representative of similarity/dissimilarity between the corresponding compounds. A portion of the non-linear map is then displayed. Users are enabled to interactively analyze compounds represented in the non-linear map.Type: GrantFiled: March 12, 2001Date of Patent: March 6, 2007Assignee: Johnson & Johnson Pharmaceutical Research, & Development, L.L.C.Inventors: Dimitris K Agrafiotis, Victor S Lobanov, Francis R Salemme
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Patent number: 7181381Abstract: A method for performing new material development. The method comprises receiving a user simulation scenario from a user wherein the user simulation scenario is in a-cyclic graph format and includes a plurality of material development modules represented as vertices. The user simulation scenario also includes a starting module. Each vertex includes data information including at least one input file source and at least one output file destination. Relationships between the modules are represented as edges and each edge includes at least one of previous module and subsequent module. Each edge also includes data flow information between the previous module and the subsequent module. The method further comprises receiving a request to invoke the user simulation scenario and the request includes the input file source for the starting module. Traversing the vertices along the edges is performed in response to receiving the request and to the data flow information.Type: GrantFiled: November 14, 2002Date of Patent: February 20, 2007Assignee: General Electric CompanyInventors: Srikanth Akkaram, Dongming Gao, Youdong Zhou
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Patent number: 7167851Abstract: Molecules are represented as one dimensional strings of atoms having a linear position and a width. One dimensional representations are compared to assess the likelihood of similarity in chemical behavior.Type: GrantFiled: January 31, 2001Date of Patent: January 23, 2007Assignee: Accelrys Software Inc.Inventors: Steven L. Dixon, Kenneth M. Merz, Jr., Marvin Waldman
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Patent number: 7167819Abstract: The present invention provides a fast and efficient method for determining the three-dimensional conformation of a protein. The steps of the method of the invention include: 1) formation of physical distance constraints, e.g., forming intramolecular chemical crosslinks of known size between residues of a protein; 2) enriching the number of the molecules that have intramolecular chemical crosslinks in the reaction pool, e.g., using size separation to remove proteins with intermolecular bonds; 3) exposing the enriched reaction pool to a protease that cuts the protein at specific sites to produce peptide fragments; 4) measuring the size of the peptide fragments to determine linkage sites with a certain spatial relationship in the protein; and 5)interpreting the data produced to determine spatial geometry and protein structure based on the deduced spatial relationship of the linkage sites.Type: GrantFiled: May 26, 2000Date of Patent: January 23, 2007Assignees: Chiron Corporation, The Regents of the University of CaliforniaInventors: Bradford W. Gibson, Irwin D. Kuntz, Ning Tang, Gavin Dollinger, Connie M. Oshiro, Judith C. Hempel, Eric W. Taylor, Malin Young
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Patent number: 7158888Abstract: A method is provided for identifying a search model to use in molecular replacement for determining a structure of a target biomolecule, such as a protein, from X-ray diffraction data, the method comprising: employing computer executable logic to perform multiple molecular replacement searches on X-ray diffraction data of the target biomolecule where a group of different biomolecule structures are used as search models for the multiple molecular replacement searches; and employing computer executable logic to compare solutions from the multiple molecular replacement searches, the comparison producing data from which biomolecule structures can be identified as having superior structural identity with the target biomolecule as compared to the other biomolecule structures in the group.Type: GrantFiled: May 4, 2001Date of Patent: January 2, 2007Assignee: Takeda San Diego, Inc.Inventors: Duncan McRee, Peter R. David, Frank von Delft, John Rammelkamp, Enrique Abola
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Patent number: 7158891Abstract: The present invention relates to a method to build 3-dimensional models of molecular structures corresponding to the lowest value of the potential energy function from knowledge of their chemical structures. The system uses Mutually Orthogonal Latin Squares to search through conformational space to obtain the best conformation. The system may also be used to obtain the optimum of any function, and not only those related to biomolecular structure.Type: GrantFiled: March 28, 2002Date of Patent: January 2, 2007Assignee: Council of Scientific & Industrial ResearchInventors: Namasivayam Gautham, Krishnan Vengadesan
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Patent number: 7149675Abstract: A method for automatically mapping state elements between a first circuit and a second circuit is described. The method proceeds by comparing, in a structural phase, structural features of state elements in the first circuit to structural features of state elements in the second circuit for equivalence. Mappings between state elements of the first circuit and the second circuit are determined based on the comparison of structural features. “Don't care” input conditions are then accounted for prior to determination of functional features. During an inversion detection phase, the polarity of the mappings found in the prior structural phase are determined. A functional phase follows in which the functionality of state elements in the first circuit are compared to the functionality of state elements in the second circuit for equivalence using a three-valued random simulation and further mappings are determined based upon the functional comparison.Type: GrantFiled: March 9, 2001Date of Patent: December 12, 2006Assignee: Intel CorporationInventors: Yatin V. Hoskote, Kiran B. Doreswamy
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Patent number: 7102514Abstract: Methods are provided for detecting chemical, biological and/or nuclear attacks in large areas such as cities, states and nations. The system protects the public before significant exposure occurs, utilizing a preventive approach rather than a purely reactive approach. Modeling is conducted to selectively position sensors for the on-going collection of real-time detection data, such as contaminant types and concentrations, weather conditions, terrain data, dispersion data and the like. The detection data is compared to background data and modeled data to detect unsafe contaminant levels and immediately activate a response system. The integrated modeling and simulation component may function to interface with real-time data from the sensors providing integrated real-time plume depiction, prediction, and verification, as well as real-time response and mitigation. This is testable and serves as an advanced redundant scientific control.Type: GrantFiled: January 27, 2004Date of Patent: September 5, 2006Inventor: Kenneth M. Berry
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Patent number: 7092893Abstract: A method of controlling liquid and gaseous production within a plurality of air separation plants to produce and distribute gaseous and liquid products to a plurality of customers in which the electrical power costs involved in producing gaseous and liquid products is optimized to be at a minimum together with road shipping costs of liquid products by a real time optimization program.Type: GrantFiled: January 28, 2003Date of Patent: August 15, 2006Assignee: Praxair Technology, Inc.Inventors: Lawrence Megan, David F. Lennox, Paul F. Scharf, Derin Adebekun
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Patent number: 7062421Abstract: This invention relates to a process for using computerized molecular interaction modeling to predict the adhesive interactions between a substrate and a polymer. The molecular modeling method may be used to predict and select optimal adhesion promoting monomers for use in latex polymer coatings, providing the best wet adhesion to alkyd-coated substrates. The molecular modeling method could also predict substrate polymer pairs having the least affinity, and thus the most useful as a release liner.Type: GrantFiled: June 17, 2002Date of Patent: June 13, 2006Assignee: Celanese International CorporationInventors: Solomon Jacobson, Rajeev Farwaha, Sharon P. Lee
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Patent number: 7054756Abstract: In a bacteriological examination system, an expected range of drug sensitivity is calculated from the results of statistics of data acquired at past drug sensitivity tests. Testing panels accommodating drugs of different densities (ex. increasing by increments) covers the calculated expected range are selected for testing. An average-per-sample value of drug sensitivities of bacteria that reside in a hospital and an average-per-sample value of drug sensitivities of bacteria that reside in a limited region are preserved separately in a results-of-test database. A difference between statistical values of drug sensitivities of one bacterial species in a bacterial classification group residing in a hospital to an object drug and statistical values of drug sensitivities of the bacterial species residing in a limited region is calculated. The difference then is divided by the average-per-same value in the limited region.Type: GrantFiled: December 13, 2001Date of Patent: May 30, 2006Assignee: Hitachi, Ltd.Inventors: Kazuyuki Shimada, Hitoshi Matsuo, Satoshi Mitsuyama, Hitoshi Otake
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Patent number: 7047171Abstract: A method for characterizing the three-dimensional surface structure of molecules, particularly proteins and protein complexes, employing mass spectrometric analysis, an electrospray ionization (ES) source, a novel data interpretation process that utilizes comparisons of particular binding constants (KB) and heats of formation (?Hf), and computational feedback modeling.Type: GrantFiled: April 7, 1999Date of Patent: May 16, 2006Inventor: Norman K. Sproch
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Patent number: 7043414Abstract: A method and system for simulating, modeling and scheduling equipment preparation procedures in the biopharmaceutical production process is described herein. The use of process vessels in batch process manufacturing is optimized through the use of peak load scheduling frames. The system and method includes the steps of identifying soiled process components and their associated equipment preparation procedures. After the soiled process components are identified, a master list of soiled process components and their associated equipment preparation procedures is generated. After the soiled process components and the equipment preparation procedures are identified, the equipment preparation procedures are scheduled out based on preparation equipment protocols to generate a equipment preparation load summary table. Next, the size and capacity of the preparation equipment is determined based on the information in the load summary table.Type: GrantFiled: August 13, 1999Date of Patent: May 9, 2006Inventor: Peter G. Brown
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Patent number: 7043415Abstract: A method for interactively constructing pharmacological computational models is disclosed. A graphical user interface is presented through which a user may place and connect objects representing pharmacokinetic and pharmacodynamic elements. As the objects are placed and connected, they are converted into an internal format representing the statements of the corresponding computational model. These statements are actively presented to the user in a summarized form, as the computational model is constructed, to enable immediate verification of the model. This summarized form may be a surface syntax showing key equations that make up the model, or they may be graphs of behavior of one or more user-selected variables.Type: GrantFiled: March 30, 2001Date of Patent: May 9, 2006Assignee: Pharsight CorporationInventors: Michael Robert Dunlavey, David J. Hermann, Jeffrey Alan Wald, Daniel Lee Weiner
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Patent number: 7024342Abstract: A numerical procedure for simulating the behavior of incompressible, viscous fluid in a casting/molding process. The method is based on classical fluid dynamic equations and uses control volume-finite element and numerical techniques to solve the momentum and energy equations to obtain solution for the variable parameters. The method incorporates five additional modules which simulate fluid flow in the shot sleeve, heat transfer between the die and the heat transfer fluid, die cooling by lubricant, formation of mend line. These additional simulation modules produce realistic boundary conditions, and replace many of the assumptions that would have to be made, to solve the governing equations. These added improvements ensure a faster convergence of the numerical solution and a more realistic simulation of the die casting process.Type: GrantFiled: July 1, 2000Date of Patent: April 4, 2006Assignee: Mercury MarineInventors: David Marc Waite, Shaupoh Wang, Jenn-Yeu Nieh
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Patent number: 6983233Abstract: Methods and apparatus, including computer program apparatus, implementing techniques for designing sets of combinatorial experiments. A set of experimental parameters, sampling patterns, and constraints defines a set of experiments that is limited to a volume of a hyperspace defined by the set of experimental parameters. Parameters can be grouped by type such that grouped parameters are constrained to perform a common role in the set of experiments. The practicability of the experiment design can be estimated based on the number of experiments in the set of experiments. The experiment design can be used to prepare one or more combinatorial libraries.Type: GrantFiled: April 19, 2001Date of Patent: January 3, 2006Assignee: Symyx Technologies, Inc.Inventors: Marco Falcioni, C. Eric Ramberg, Youqi Wang
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Patent number: 6973389Abstract: A method of optimizing parameter values in a process for producing a product, which process is essentially controlled by a set of parameters affecting a set of properties characterizing the product. The method uses an analytic hierarchy process (AHP) to associate a weight with each property according to its relative importance to obtain desired product characteristics. The method also uses parameter data and measured property data from a required number of experimental runs of the process, from which data property behavior relations between each property and the parameters are statistically established, which relations give estimated property values. Using the property weights, a process goal function is established, which is expressed in terms of weighted deviations between the estimated property values and the corresponding goal values for the properties. Finally, the process goal function is minimized in order to generate a set of optimal parameter values for the process.Type: GrantFiled: August 28, 2000Date of Patent: December 6, 2005Inventor: M'Hammed Mountassir
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Patent number: 6959270Abstract: The present invention relates to a computational tool that allows to evaluate the degradation of cement-based materials under various types of chemical attacks such as sulfates, chlorides, and plain water. It is based on the physical principles of ionic mass conservation and chemical equilibrium between a solution and different solid phases. The effect of the dissolution or the precipitation of solid phases on the transport coefficients is considered. A method for determining an ion concentration in solution of at least two ions capable of undergoing transport in a cement-based material under a chemical attack and a solid phase profile for at least one component of said cement-based material is provided. A method for determining a diffusion coefficient for each of at least two ions capable of undergoing transport in a cement-based material is also provided.Type: GrantFiled: May 24, 2001Date of Patent: October 25, 2005Assignees: Université Laval, SIMCO Technologies Inc.Inventors: Jacques Marchand, Eric Samson, Yannick Maltais
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Patent number: 6943684Abstract: A surveillance system and method for identifying chemical, biological or nuclear attacks or hazards occurring within a large area which combines data derived from a modeling and simulation operation with a surveillance data input. The modeling and simulation operation involves continuous periodic runs of multiple scenarios for various biological, chemical and nuclear agents in various concentrations for a given location. Using real time weather data for each location, a model is made in a database of the effect various concentrations of agents would have at that location and this simulated model is processed. The surveillance data input monitors actual human signs and symptoms for the modeled area. This data with real time weather data is compared with the results of modeling and simulation data for the area to determine if a pattern matching that for any modeled agent is present.Type: GrantFiled: November 18, 2003Date of Patent: September 13, 2005Inventor: Kenneth M. Berry
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Patent number: 6937257Abstract: A method for maintaining consistent unit relationships during graphical pharmacological computational model construction is disclosed. A graphical user interface is presented through which a user may place and connect objects representing pharmacokinetic and pharmacodynamic elements. The user may specify units definitions for variables and constants using unit expressions. As the objects are converted into an internal format representing the statements of the corresponding computational model, the unit expressions are included in this internal format as multidimensional data type information. This multidimensional data type information is regularly and automatically propagated for each statement in the internal format to identify inconsistent units. When such inconsistent units are identified, a warning message is generated to notify the user, substantially immediately after the inconsistent units are created.Type: GrantFiled: March 30, 2001Date of Patent: August 30, 2005Assignee: Pharsight CorporationInventor: Michael R. Dunlavey
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Patent number: 6871169Abstract: A novel multivariate model for analysis of absorbance spectra allows for each wavelength or spectral region to be modeled with just enough factors to fully model the analytical signal without the incorporation of noise by using excess factors. Each wavelength or spectral region is modeled utilizing its own number of factors independently of other wavelengths or spectral regions. An iterative combinative PCR algorithm allows a different number of factors to be applied to different wavelengths. In an exemplary embodiment, a three-factor model is applied over a given spectral region. The residual of the three-factor model is calculated and used as the input for an additional five-factor model. Prior to the additional five factors being applied, some of the wavelengths are removed. This leads to a three-factor model over the first region and an eight-factor model over the second region.Type: GrantFiled: August 1, 2000Date of Patent: March 22, 2005Assignee: Sensys Medical, Inc.Inventors: Kevin H. Hazen, Suresh Thennadil, Timothy L. Ruchti
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Patent number: H2208Abstract: An intelligent agent-accomplished detection and tracking system responsive to sensed characteristics in a cloud of chemical or biological warfare agent(s) dispersed over a geographic area of the earth. The intelligent agent elements of the invention provide an organized and repeated comparison of signal data extracted from overhead dispersed conventional sensors of the chemical or biological agent material and accomplish communication with other agents and the outside world using a common flexible communication language. The intelligent agent elements are disposed in hierarchical arrays having at least lower level, mid level and upper level locations and are inclusive of multiple path forward and feedback agent communications.Type: GrantFiled: January 6, 2003Date of Patent: January 1, 2008Assignee: United States of America as represented by the Secretary of the Air ForceInventors: Martin R. Stytz, Sheila B. Banks