Abstract: A method for interpreting data that is produced after a group of amino acids and acylcarnitines are derivatized from blood spots taken from newborn babies and scanned by a tandem mass spectrometer. Concentration levels of each metabolite, which are directly proportional to the butyl ester fragment after derivatization, are compared to threshold flags for determining a significance of any deviation of the metabolite relative to the flag threshold. The threshold flags are diagnostic limits to the data retrieved from each blood spot. The data includes metabolite concentrations and molar ratios of metabolites with other metabolites. Samples are labeled normal for a disease if the concentration of any of the metabolite concentrations or molar ratio concentration do not deviate from the flag threshold, but, in contrast, the sample must be further evaluated if a value is elevated or deficient to some degree.

Abstract: The present invention provides a method for determining concentration of blood glucose by using the change in the rising time. The chemical reaction between the blood glucose and enzyme within the test strip to generate the analog source that used to determine the concentration of the blood glucose in the measuring meter. Thus, the rising curve can be obtained after the analog source is treated, such that the concentration of the blood glucose can be determined.

Abstract: The invention relates to a method for automatically carrying out chromatographic analyses. According to said method, at least one of the following pieces of information is obtained: a) the retention times of at least one constituent; b) the temperature; c) the structural formulae of at least one of the constituents; d) the type of elution agent; and e) the parameters of the separation column. For extensive optimization, the invention is characterized in that the data obtained is optionally completed by available data, at least one first test run is carried out under isocratic conditions, and retention times are detected or calculated on the basis of a model with optimization parameters. The retention times obtained are optimized by varying the parameters, another chromatography run is carried out with the parameters of the optimized retention times, and a comparison is made with the measured retention times. The above-mentioned steps are optionally repeated for further optimization.

Abstract: A test device for determining the analyte concentration in body fluid. The test device has a memory in which calibration adjustments corresponding to calibration numbers are stored. The test device is adapted to receive a test sensor for collecting a sample. The test sensor contains a reagent adapted to produce a reaction indicative of the analyte concentration in the sample and the test sensor has an associated calibration number of a plurality of digits. The test device comprises a measuring unit, a single calibration input element, a user display, and a processor. The measuring unit measures the reaction of the reagent and the analyte and generates a signal indicative of the measured reaction. The single calibration input element permits a user to input the calibration number, one digit at a time, associated with the test sensor. The processor is adapted to determine the analyte concentration.

Abstract: The disclosed systems and methods determine compensation factors, compensated conductivities, concentrations, and other related parameters of a solution based on the solution's temperature and absolute conductivity.

Abstract: The present invention is designed to efficiently calculate isotopic distribution in order to simulate mass spectra data for any chemical compound of interest. The simulated spectra considers the various isotopes of the compound based upon a probability calculation that takes into consideration the natural abundance of each isotope of individual elements of the compound. The probability calculation generates a relative probability associated with each isotope species of the subject compound. The simulated spectra are displayed on an x-y coordinate illustrating the calculated formula weight on the abscissa (x-axis) and the intensity of the specific species on the ordinate (y-axis). This theoretical data is then compared to experimental data taken from a mass spectrometer in order to identify the chemical compound at issue.

Abstract: A variety of methods and systems related to automated quantitative analyses via digital spectroscopy techniques can be used to determine the quantity of one or more analytes in a sample. A parameter file can be used to control automated analysis. Suspect conditions related to parameters can be identified and-appropriate advisories provided. Suspect conditions related to analysis can be identified and appropriate warnings provided. Various algorithmic techniques are supported and can be selected by a user by modifying parameters via a parameter-editing user interface presented by software.

Abstract: Devices and techniques for estimating the concentration of one or more agents in a fluid environment employ a plurality of measurements of a sensor attribute that changes in response to an agent. Measurements taken before the agent/reagent combination reaches a steady-state may be used. The plurality of measurements are processed using a nonlinear, parametric model of the interaction between the sensor and the agent to determine the concentration of the agent. The model takes into account the finite capacity of a sensor reagent. The model characterizes the interaction of individual agent/reagent combinations with a set of parameters. These parameters require minimal testing to calculate. The invention enables the response of a sensor to an agent over the entire range of agent concentration levels to be efficiently and accurately characterized. The invention also enables the prediction of collective responses given parameters characterizing a plurality of agent/reagent combinations.

Abstract: Methods for inferentially determining various properties of a gas mixture, when the speed of sound in the gas is known at an arbitrary temperature and pressure. The method can be applied to natural gas mixtures, where the known parameters are the sound speed, temperature, pressure, and concentrations of any dilute components of the gas. The method uses a set of reference gases and their calculated density and speed of sound values to estimate the density of the subject gas. Additional calculations can be made to estimate the molecular weight of the subject gas, which can then be used as the basis for heating value calculations. The method may also be applied to inferentially determine density and molecular weight for gas mixtures other than natural gases.

Abstract: The invention concerns the identification of proteomes of biological fluids and their use in determining the state of maternal/fetal conditions, including maternal conditions of fetal origin, chromosomal aneuploidies, and fetal diseases associated with fetal growth and maturation. In particular, the invention concerns the identification of the proteome of amniotic fluid (multiple proteins representing the composition of amniotic fluid) and the correlation of characteristic changes in the normal proteome with various pathologic maternal/fetal conditions, such as intra-amniotic infection, or chromosomal defects.

Abstract: A new strategy for the quantitative determination of enantiomeric purity that combines guest-host complexation, spectroscopy, and chemometric modeling. Spectral data for samples of known enantiomeric composition is subjected to a type of multivariate regression modeling known as partial least squares (“PLS-1”) regression. The PLS-1 regression produces a mathematical model that can be used to predict the enantiomeric composition of a set of samples of unknown enantiomeric purity.

Abstract: Provided is a system of computing and rendering a nature of a chemical bond based on physical, Maxwellian solutions of charge, mass, and current density functions of hydrogen-type molecules and molecular ions. The system includes a processor for processing Maxwellian equations representing charge, mass, and current density functions of hydrogen-type molecules and molecular ions and an output device in communication with the processor for displaying the nature of the chemical bond.

Abstract: The present invention provides a quantitative measurement method and quantitative measurement chip which can perform quantitative measurement of a target substance in a short period of time. The invention provides a quantitative measurement method in which a three dimensional mesh structure material is formed, and quantitative measurements are taken of the target substance using a structure which contains a reagent that reacts with the target substance in the mesh.

Abstract: The present invention relates to genetic markers whose expression is correlated with breast cancer. Specifically, the invention provides sets of markers whose expression patterns can be used to differentiate clinical conditions associated with breast cancer, such as the presence or absence of the estrogen receptor ESR1, and BRCA1 and sporadic tumors, and to provide information on the likelihood of tumor distant metastases within five years of initial diagnosis. The invention relates to methods of using these markers to distinguish these conditions. The invention also provides methods of classifying and treating patients based on prognosis. The invention also relates to kits containing ready-to-use microarrays and computer software for data analysis using the diagnostic, prognostic and statistical methods disclosed herein.

Abstract: The intensity of an odour can be quantified by determining what is the response of an odour sensing device to that odour, then transforming the response data to an odour intensity value based on transformation data relating to a set of selected reference odours. The transformation data includes organoleptic data indicating how odour intensity values assigned to the set of reference odours by a sensory panel depend upon the concentration of the reference compounds and includes data indicating how the response data of the odour sensing device when exposed to the set of reference odours depends upon the concentration of the reference compounds. The reference odours may be basic odours defining the dimensions of a multi-dimensional space in which odours can be defined.

Abstract: A main object is to cope with an unknown structure substance thereby to identify the structure of a parent ion highly precisely and to derive a supposed structure. A method for analyzing mass spectrometric data is disclosed, which: acquires mass spectrometric data on an ionized sample and dissociated ions dissociated from the sample as a parent ion; derives dissociated ion candidates by analyzing the molecular orbits on the candidates of the structures of the parent ion; and displays the analytical results of the parent ion candidates and the dissociated ion candidates and compares the data of the dissociated ion candidates and the data of dissociated ions actually measured, to evaluate the structures of the parent ion candidates.

Abstract: A method, system, and computer program product for mining mass spectral data to detect chemical-specific characteristic features in large databases and/or files, including specifying spectral characteristics of mass spectra to mine, specifying a relationship between the spectral characteristics, searching the mass spectra for portions of the mass spectra which match the spectral characteristics based on the relationship, and assigning scores to the portions of mass spectra to indicate a degree of correlation between the portions of mass spectra and the spectral characteristics. Exemplary embodiments encompass a user specification of the spectral characteristics and their relationships used to mine the mass spectral data, automated specification of the spectral characteristics and their relationships used to mine the data, and real-time data mining wherein the mass spectrometer is adjusted based on the result.

Abstract: A method for quantitative determination of hydrocarbon species in a hydrocarbon sample is disclosed. The method uses Townsend Discharge Nitric Oxide Chemical Ionization Gas Chromatography/Mass Spectrometry.

Abstract: A substance analyzer utilizing Prompt Gamma Neutron Activation Analysis for identifying characteristics of a substance and method of manufacturing the same are disclosed. The analyzer is small enough to be portable and to allow its use in many applications where current analyzers cannot be utilized. The analyzer uses a neutron radiation source and a gamma-ray detector to activate the sample material and detect the prompt gamma rays emitted by the sample material. A novel housing for such an analyzer and method for making the housing are also described. Novel methods of operating such an analyzer including via a communications network are also disclosed. Also disclosed are data analysis methods that improve the accuracy and sensitivity of the results of such material analysis.

Abstract: A sample archive method and system implement a plurality of sample carriers configured to support a plurality of sample nodes in a predetermined spatial relationship, sample storage devices for selectively placing the plurality of sample carriers in an archive, and sample node removal apparatus for locating and removing selected ones of the plurality of sample nodes. Alternative embodiments are disclosed wherein the sample node removal apparatus comprises a laser and a mechanical clipping tool, which may be manually operated or automated. An optical component may be operative to detect the location of selected sample carriers in the archive, selected ones of the plurality of sample nodes, or both. A positioning component may position the sample node removal apparatus responsive to signals transmitted by the optical component. Various apparatus and methods of archiving samples and preparing the same for analysis are also disclosed.

Abstract: The present invention relates to a method for mathematically re-calibrating and adjusting an initial concentration analysis model that suffers from electrochemical measurement errors caused by surface state changes in the working/counter/reference electrode after extended usage. Specifically, such recalibration method reimburses long-term drift in the electrochemical measurements based on a single point testing.

Abstract: A method for predicting the elution time of a peptide in chromatographic and electrophoretic separations by first providing a data set of known elution times of known peptides, then creating a plurality of vectors, each vector having a plurality of dimensions, and each dimension representing the elution time of amino acids present in each of these known peptides from the data set. The elution time of any protein is then be predicted by first creating a vector by assigning dimensional values for the elution time of amino acids of at least one hypothetical peptide and then calculating a predicted elution time for the vector by performing a multivariate regression of the dimensional values of the hypothetical peptide using the dimensional values of the known peptides. Preferably, the multivariate regression is accomplished by the use of an artificial neural network and the elution times are first normalized using a transfer function.

Abstract: The present invention is related to the sensing of analytes and in particular, to methods of determining, resolving, identifying, or quantitating such analytes once detected. This invention provides systems and methods for identifying analytes, comprising using an importance index to give greater weight to the responses from sensors that measure characteristics most useful for identification of analytes. In other aspects, the systems and methods are useful for increasing the stability of electronic nose systems by prolonging the predictive capability of the training set of known analytes. In still other aspects, the systems and methods are useful for detecting and responding to events correlated with the presence of an analyte.

Abstract: Apparatus and methods are provided for classifying wine in terms of fruit and non-fruit flavors. A first scale is provided for scoring wine in terms of fruit flavor, and a second scale is provided for scoring wine in terms of non-fruit flavor. The first and second scales may be displayed in a two-dimensional chart, and the fruit and non-fruit scores of particular wines may be displayed on the chart to visually communicate wine flavor information.

Abstract: In a method and a control device for operating a broadband lambda sensor, the oxygen concentration of an exhaust gas is determined based on a comparison of a Nernst voltage with a reference voltage having a nominal value; a pump current is injected into a cavity of a pump cell if a deviation is present, an electric voltage present at the pump cell being regulated in such a manner that lambda=1 prevails in the cavity, the pump current being a measure for the value of lambda in the exhaust gas; and, in order to avoid control interference in the start phase of the engine or in the cold phase of the sensor, the Nernst voltage is maintained close to the reference voltage, using a pilot control, until the Nernst voltage is an actual measure for the oxygen concentration in the cavity of the pump cell.

Abstract: A plurality of different kinds of reagents are supported at different positions on a reagent layer. A humoral testing apparatus irradiates measuring light which has a wavelength adapted to one of the plurality of the reagent areas which forms a color, and detects the intensity of the light reflected from the reagent areas with the photodetector with respect to each of the reagents, and thus detects the optical densities of the reagent areas.

Abstract: A method for analyzing a multi-channel chromatogram is realized for accurately resolving overlapping peaks on a multi-channel chromatogram to permit analysis of the composition of a sample. First, components of overlapping peaks are specified. A data matrix Dij is determined, and compressed in the wavelength direction to obtain a data matrix vector Di. Next, the two-dimensional data is deconvoluted, final standard deviation s0 is registered, and the deconvoluted two-dimensional data is reconvoluted to a retention intensity matrix. A quantitative spectral intensity matrix is computed, components are identified, and the identified components are quantified. Subsequently, an eigenvalue problem is solved, and the number n of components is estimated. The deconvolution and computation of the eigenvalue problem are iteratively executed until the peaks are isolated. Then, elution profiles are calculated, the components are identified, and the identified components are quantified.

Abstract: A residual chlorine meter detects a pre-calibration residual chlorine reaction amount of sample water in a detection section, inputs a calibration standard residual chlorine standard concentration of the sample water in an input section, determines calibration factors from data for computing the calibration factors based on the amount and the concentration stored in a calibration factor computation data storage section in a calibration factor computation section, and stores the calibration factors in a calibration factor storage section.

Abstract: Embodiments of the present invention relate to methods and systems suitable for de-convoluting a convoluted spectrum, such as by way of example, data obtained from a mass spectrometer.

Abstract: The present invention is directed to a method for determining the molecular weight and diffusivity of a sample solute by providing a plus shaped microchannel network on a microfluidic chip, having at least four microchannels intersecting at a cross point; flowing a sample stream comprising a sample solute of unknown diffusivity and a blank stream from separate microchannels through the cross point and out to separate microchannels; creating a sample curve measuring the concentration of the sample solute that diffuses from the sample stream to the blank stream at the cross point while altering the flowrate of one of the blank stream or the sample stream; and determining a diffusion coefficient of the sample solute by extrapolating data from similar curves of at least two solutes having known molecular weights and/or diffusion coefficients created under similar conditions as those generated by the sample solute.

Abstract: A method determines an analyte concentration in a sample including the analyte and a substance. The method includes providing an absorption spectrum of the sample. The absorption spectrum has an absorption baseline. The method further includes shifting the absorption spectrum so that the absorption baseline approximately equals a selected absorption value in a selected absorption wavelength range. The method further includes subtracting a substance contribution from the absorption spectrum. Thus, the method provides a corrected absorption spectrum substantially free of a contribution from the substance.

Abstract: Systems and methods are provided herein for improving the selectivity and productivity of sensors via digital signal processing techniques. According to one illustrative embodiment, in an electrochemical method for monitoring of a select analyte in a mixed sample with an interfering analyte, an improvement is provided that includes applying a large amplitude potential stimulus waveform to the sample to generate a nonlinear current signal; and resolving a signal contribution from the select analyte in the generated signal by a vector projection method with an analyte vector comprising a plurality of real and imaginary parts of one or more Fourier coefficients at one or more frequencies of a reference current signal for the select analyte.

Abstract: The present invention provides a method for calculating the resolution of blood glucose which corresponding with the peak value of the rising curve. The average peak value is obtained from calculating the plurality of peak value, which determined after the pre-setting sampling time. Then, the average peak value is calculated with the resistance of the measuring circuit, reference resistance, and reference voltage to obtain the resolution of the blood glucose. Furthermore, the mapping table can be fabricated by the different height of maximum peak value and outputted voltage in different presetting sampling time, such that the resolution of blood glucose can be obtained in different outputted voltage values.

Abstract: The invention relates to a process for the non-destructive net weighing of capsules using microwaves.

Abstract: The present invention is directed generally toward the field of spectral analysis and, more particularly, toward an improved method of identifying unknown components of a mixture from a set of spectra collected from the mixture using a spectral library including potential candidates. For example, the present method is directed to identifying components of a mixture by the steps which comprise obtaining a set of spectral data for the mixture that defines a mixture data space; ranking a plurality of library spectra of known elements according to their angle of projection into the mixture data space; calculating a corrected correlation coefficient for each combination of the top y ranked library spectra; and selecting the combination having the highest corrected correlation coefficient, wherein the known elements of the selected combination are identified as the components of the mixture.

Abstract: A database interpolation method is used to rapidly calculate a predicted optical response characteristic of a diffractive microstructure as part of a real-time optical measurement process. The interpolated optical response is a continuous and (in a preferred embodiment) smooth function of measurement parameters, and it matches the theoretically-calculated optical response at the database-stored interpolation points.

Abstract: A portable radioactive-material detection system capable of detecting radioactive sources moving at high speeds. The system has at least one radiation detector capable of detecting gamma-radiation and coupled to an MCA capable of collecting spectral data in very small time bins of less than about 150 msec. A computer processor is connected to the MCA for determining from the spectral data if a triggering event has occurred. Spectral data is stored on a data storage device, and a power source supplies power to the detection system. Various configurations of the detection system may be adaptably arranged for various radiation detection scenarios. In a preferred embodiment, the computer processor operates as a server which receives spectral data from other networked detection systems, and communicates the collected data to a central data reporting system.

Abstract: A system and method for inferring an electronic rendering (170) of an environment (110) comprises a plurality of devices (341 and 345), and a processing device. Each wireless device is capable of determining a distance between a neighboring wireless device. Moreover, each device is capable of performing at least one of the following: determining an environmental attribute of the environment, and determining a location of an object in the environment. The processing device gathers information determined from the plurality of devices and infers the electronic rendering of the environment based on the information gathered.

Abstract: The present invention generally relates to nucleic acid-based sensors and methods for detecting volatile analytes. More particularly, this invention relates to nucleic acid-based optical sensors, sensor arrays, sensing systems and sensing methods for intelligent sensing and detection of unknown materials by way of real-time feedback and control of sampling conditions.

Abstract: A concentration measuring method includes selecting a calibration curve optimum for computing the concentration of a measurement target substance from a plurality of calibration curves based on an output from a reaction system containing the target substance and a reactant capable of reacting with the target substance, and computing the concentration of the target substance based on the optimum calibration curve and the output. Each of the calibration curves is prepared based on a plurality of outputs generated upon lapse of a same reaction time from a plurality of standard reaction systems each containing a standard reagent of a known different concentration and the reactant. The plurality of calibration curves differ from each other in reaction time based on which the calibration curves are prepared.

Abstract: The instant invention involves the use of a combination of preparatory steps in conjunction with mass spectroscopy and time-of-flight detection procedures to maximize the diversity of biopolymers which are verifiable within a particular sample. The cohort of biopolymers verified within such a sample is then viewed with reference to their ability to evidence at least one particular disease state; thereby enabling a diagnostician to gain the ability to characterize either the presence or absence of said at least one disease state relative to recognition of the presence and/or the absence of said biopolymer.

Abstract: A reduced multicubic database interpolation method is provided. The interpolation method is designed to map a function and its associated argument into an interpolated value using a database of points. The database is searched to locate an interpolation cell that includes the function argument. The interpolation cell is used to transform the function argument to reflect translation of the interpolation cell to a unit cell. The interpolated value is then generated as a cubic function using the data points that correspond to vertices of the unit cell. All of the derivatives in the cubic function are simple and the interpolation accuracy order is higher than first-order.

Abstract: The invention relates to reference libraries of composite spectra that consolidate, into a single searchable data set, multiple independent spectra taken of a chemical compound under multiple conditions, generally on a single instrument. The reference libraries may be used, for example, to increase the analytical power of mass spectrometers such as API-CID mass spectrometers. The multiple independent spectra are converted into a composite spectrum by performing a number of steps. First, units on the x-axis of at least one, and generally all but one, of the independent spectra are renumbered so that the numerical range of the x-axes of the spectra do not perfectly overlap. Second, the x-axes of the independent spectra are aligned on a composite x-axis. Methods and programs for making and using the reference libraries and devices containing the reference libraries are also disclosed.

Abstract: The present invention is concerned with a computer-aided method for the provision, identification and description of molecules exhibiting a desired behaviour, more particularly in the pharmaceutical sector, employing a molecular modelling step, a combinatorial library building step and a step of selecting potentially useful molecules, said method including a step whereby the candidate molecules are filtered using a dynamic filter representing constraints of conformational variations which the molecules must satisfy in order to exhibit said activity.

Abstract: A method of monitoring the operation of a gas sensor is disclosed. A system signal is provided in response to sensing first or second system conditions, and a gas concentration signal is provided in response to sensing first or second gas concentration levels of a gas. In response to the system and gas concentration signals, a signal indicating the operating condition of the gas sensor is provided.

Abstract: A method of indirectly measuring the diluent (nitrogen and carbon dioxide) concentrations in a natural gas mixture. The molecular weight of the gas is modeled as a function of the speed of sound in the gas, the diluent concentrations in the gas, and constant values, resulting in a model equation. A set of reference gas mixtures with known molecular weights and diluent concentrations is used to calculate the constant values. For the gas in question, if the speed of sound in the gas is measured at three states, the three resulting expressions of molecular weight can be solved for the nitrogen and carbon dioxide concentrations in the gas mixture.

Abstract: An inverse analysis method for characterizing diffusion of vapor from an underground source of volatile contaminant using data taken by an in-situ sensor. The method uses one-dimensional solutions to the diffusion equation in Cartesian, cylindrical, or spherical coordinates for isotropic and homogenous media. If the effective vapor diffusion coefficient is known, then the distance from the source to the in-situ sensor can be estimated by comparing the shape of the predicted time-dependent vapor concentration response curve to the measured response curve. Alternatively, if the source distance is known, then the effective vapor diffusion coefficient can be estimated using the same inverse analysis method. A triangulation technique can be used with multiple sensors to locate the source in two or three dimensions. The in-situ sensor can contain one or more chemiresistor elements housed in a waterproof enclosure with a gas permeable membrane.

Abstract: The present invention provides a distributed sensing system in a networked environment for identifying an analyte, including a first sensor array connected to the network comprising sensors capable of producing a first response in the presence of a chemical stimulus; a second sensor array connected to the network comprising sensors capable of producing a second response in the presence of a physical stimulus; and a computer comprising a resident algorithm. The algorithm indicates or selects the most relevant sensor in the network to identify the analyte. The sensors can be separated over large spatial areas, wherein the sensor arrays are networked. Suitable networks include a computer local area network, an intranet or the Internet.

Abstract: A segmentation method of a frame of image information including a plurality of spaced DNA spot images corresponding to a plurality of DNA spots. The image information includes image intensity level information corresponding to said DNA spots. The frame is stored in a memory device and a set of image information within said frame including a selected set of the DNA spot images is selected. A grid including a plurality of spaced grid points corresponding to said selected DNA spot images is generated, such that each grid point includes position information indicating the position of the grid point within said frame.

Abstract: There is provided a method for obtaining at least one calibration filter for a Mass Spectrometry (MS) instrument system. Measured isotope peak cluster data in a mass spectral range is obtained for a given calibration standard. Relative isotope abundances and actual mass locations of isotopes corresponding thereto are calculated for the given calibration standard. Mass spectral target peak shape functions centered within respective mass spectral ranges are specified. Convolution operations are performed between the calculated relative isotope abundances and the mass spectral target peak shape functions to form calculated isotope peak cluster data. A deconvolution operation is performed between the measured isotope peak cluster data and the calculated isotope peak cluster data after the convolution operations to obtain the at least one calibration filter.