Abstract: An Anti-Terrorism water quality monitoring system for continuously monitoring a potable water treatment system and related potable water distribution network that provides potable water to a municipality, city, housing development or other potable water consumer. The system includes the collection of data from the water distribution system and from the water treatment facility and from advanced separation processes which are integrated into analytical instruments. The data collected are stored in a remote database on a remote server computer or bank of computers and accessible by Homeland Security or its designated agency. Preferred parameters of monitoring include the turbidity and disinfectant such as chlorine, hypochlorous acid, sodium hypochlorite, calcium hypochlorite, ozone, chlorine dioxide, chloramines, hydrogen peroxide, peracetic acid.

Abstract: A controller is provided for directing control of a process performed to control an amount of a pollutant emitted into the air. The process has multiple process parameters (MPPs) The controller includes either a neural network process model or a non-neural network process model. Whichever type model is included, it will represent a relationship between one of the MPPs and other of the MPPs. The controller also includes a control processor having the logic to determine the validity of a measured value of the one MPP based on the one model. The control processor directs control of the process in accordance with the measured value of the one MPP only if the measured value of the one MPP is determined to be valid. On the other hand, if the measured value is determined to be invalid, the control processor may direct control of the process in accordance with an estimated value of the one MPP.

Abstract: The present invention is directed to methods for determining electron transfer rates in systems involving metalloproteins. Metalloprotein/substrate electron transfer rates as well as metalloprotein self exchange rates may be modeled. Such electron transfer rates are useful in smart drug design and enzyme engineering.

Abstract: The present invention relates generally a method and apparatus for measuring multiple parameters in-situ in a sample collected from an environmental system via a single device. In one embodiment, the method includes collecting the sample from said environmental system via the single device, measuring a first parameter of the sample in-situ via the single device, adding a reagent tot the sample within the single device to create a reagent infused sample and measuring a second parameter of the sample in-situ via the single device using the reagent infused sample.

Abstract: Embodiments of the present invention are directed to methods and systems for designing polypeptides with specific affinities for particular substrates and substances, including inorganic substrates, surfaces, and substances. One method embodiment of the present invention includes identifying an initial set of polypeptide candidates, characterizing the initial candidates with respect to desired affinities and/or other physical and chemical characteristics, and using those characterizations for developing and refining a polypeptide-scoring function that can then be applied to computationally generated polypeptide sequences in order to identify additional candidate polypeptide sequences.

Abstract: A coherent confocal microscope for fully characterizing the elastic scattering properties of a nanoparticle as a function of wavelength. Using a high numerical aperture lens, two-dimensional scanning and a simple vector beam shaper, the rank-2 polarizability tensor is estimated from a single confocal image. A computationally efficient data processing method is described and numerical simulations show that this algorithm is robust to noise and uncertainty in the focal plane position. The measurement of the polarizability removes the need for a priori assumptions regarding the nanoparticle shape.

Abstract: In one embodiment a method to determine at least one low temperature property of the lubricant oil is disclosed. This method comprises obtaining a base stock, generating a DSC curve of wax versus temperature using a heating curve for the base stock, correlating the heating curve of the base stock with a MRV for a formulated oil, and determining the MRV of the lubricant oil from the correlation of the base stock to the MRV of the corresponding desired base oil.

Abstract: A System and Method for Gas Recognition by Analysis of Bispectrum Functions is based on the Higher-Order Spectral analysis of time series measurements of resistance fluctuations in Metal Oxide Semiconductor (MOS) gas sensors, such as Taguchi-type sensors. A two-dimensional contour plot module of the bispectrum function is treated as a pattern. These patterns include information about the analyte(s) whereby characteristics of the gas can be identified.

Abstract: Methods and systems are disclosed for classifying mass spectra to discriminate the absence or existence of a condition. The mass spectra may include raw mass spectrum intensity signals or may include intensity signals that have been preprocessed. The method and systems include determining a first or higher order derivative of the signals of the mass spectra, or any linear combination of the signal and a derivative of the signal, to form a mass spectra data set for training a classifier. The mass spectra data set may be provided as input to train a classifier, such as a linear discrimination classifier. The classifier trained with the derivative-based mass spectra data set then classifies mass spectra samples to improve discriminating between the absence or existence of a condition.

Abstract: The invention relates particularly to methods and apparatuses for characterizing water-in-oil or invert emulsion fluids for use in drilling well bores in hydro-carbon bearing subterranean formations. A fluid stability measurement method is described. The method includes placing a sample of an emulsion in a gap between electrodes, disturbing the sample, measuring the electrical stability of the sample, and establishing a relationship between electrical stability and time since the sample was disturbed.

Abstract: A computer facilitated method of requesting a spectral analysis of a sample having an unknown concentration or purity, performing an energy absorption analysis of the sample to obtain spectral data regarding the analysis and comparing the spectral data to a stored spectral data regarding the analyses of the samples having a predetermined concentration and purity to determine the concentration or purity of the sample having an unknown concentration or purity. The spectral analysis is performed on site where the sample is prepared or administered using a portable analytical apparatus and provides a real time report of the concentration or purity of the sample. The apparatus requires only a small sample size.

Abstract: A system for analyzing/inspecting airborne radioactive particles sampled in a draft flue is disclosed, which comprises: a front detector, at least an air intake tube, a capture vessel, an inspection device, a flow meter, a hand-held electric device, a blower motor, With the aforesaid system, the radioactivity distribution relating to the airborne particles as well as the peak of the distribution can be detected, by which a sampling time can be determined for achieving longer period of time allowed for an analysis to be performed while rejecting the radioactive interference in the draft flue. Thereby, background noise relating to ambient radioactivity can be minimized and thus the detection limit of the aforesaid system is reduced, so that the system of the invention is much more sensitive compared to those conventional real-time radioactivity detection means with regard to the detection of radioactive nuclides in airborne particles.

Abstract: According to the invention, an RGB-color camera is used to detect the radiation intensity of a reaction product in red, green or blue wavelength range such that the respective blue signal (IB) of the RGB-color camera is used to produce a band radiation value (BS) of the respective reaction product and the respective red and/or green signal (IR, IG) of the RGB-color camera is used to produce the thermal radiation value (TS) by means of pyrometry or comparative pyrometry, whereby the difference of the respective range radiation value (BS) and the respective associated thermal radiation value (TS) is used to produce an emission rate (K) for the radiation intensity of the respective reaction product.

Abstract: An address generator holds a cell list of cell data of a central cell containing a central particle and a predetermined number of surrounding cells located around the central cell in a system. The address generator designates particle data of a central particle and particles that are present around the central particle, from the cell data of the cell list, and successively updates the cell list according to predetermined rules until all the cells in the system will serve as a central cell. A memory controller reads particle data of particles that are used to calculate short-range forces that have been designated by the address generator, from a storage unit, and transfers the read particle data to a force calculator for calculating short-range forces between particles.

Abstract: The present invention provides, inter alia, methods of analyzing mass spectral data. In some embodiments, the methods can be used for differential profiling of samples, such as comparing a sample comprising a compound and a sample comprising metabolites of the same compound. The methods can also be used to identify and isolate biomarkers. Systems for performing the methods, as well as computer-readable media for performing the methods, are also described.

Abstract: Thermodynamic properties of a natural gas stream can be determined in real time utilizing modeling algorithms in conjunction with one or more sensors for quantifying physical and chemical properties of the natural gas. Related techniques, apparatus, systems, and articles are also described.

Abstract: A method for determining oxidation stability for a plurality of different lubricating oil composition samples is provided. The methods can advantageously be optimized using combinatorial chemistry, in which a database of combinations of lubricating oil compositions is generated. As market conditions vary and/or product requirements or customer specifications change, conditions suitable for forming desired products can be identified with little or no downtime.

Abstract: The invention relates to a method for measuring the pressure and/or molar mass of a gas in a housing, the measure being carried out via an acoustic sensor, said acoustic sensor at least one transducer (5), an electric system (8) connected to the transducer (5) and a coupling layer (6) for coupling the transducer (5) to the housing (1), said method comprising the following steps: generating using the transducer (5) an excitation acoustic signal that vibrates the housing (1) and the gas (2) in a wide frequency band; detecting with the transducer (5) a response acoustic signal characteristic of the vibrations of the housing and the gas; analysing the response electric signals from the transducer (5) using the system (8); and deriving, essentially based on the gas (2) resonance frequencies, the speed of the acoustic waves in the gas, the molar mass of the gas and the pressure thereof. The invention also relates to an assembly for implementing the method.

Abstract: An analyzing system, comprising: a sample processor for processing a sample based on a designated dilution parameter; a measurement section for measuring the sample processed by the sample processor; a dilution parameter memory for storing a first dilution parameter and a second dilution parameter which is different from the first dilution parameter and can be supplied by a user of the analyzing system; and a measurement controller for controlling the sample processor and the measurement section so as to process the sample based on the first dilution parameter and obtain a measurement value by measuring the processed sample; wherein, when a comparison of the measurement value and a predetermined threshold indicates a retest, the second dilution parameter is used for the retest, is disclosed. A diagnostic processing device and computer program product thereof are also disclosed.

Abstract: The present invention relates to a space-invariant independent component analysis and electronic nose for detection of selective chemicals in an unknown environment, and more specifically, an approach to analysis of sensor responses to mixtures of unknown chemicals by an electronic nose in an open and changing environment. It is intended to fill the gap between an alarm, which has little or no ability to distinguish among chemical compounds causing a response, and an analytical instrument, which can distinguish all compounds present but with no real-time or continuous event monitoring ability.

Abstract: A chromatograph analyzing device for automatically executing a base line setting process on an unseparated peak using preset base line conditions. The chromatograph analyzing device comprises a separation unit for separating a component included in a sample, and a data processing device for identifying the component of the sample and the quantity of the component in the sample by using a chromatogram obtained from the separation.

Abstract: A bubble point of a combination of a filter and a liquid is calibrated by applying an initial back pressure through the filter toward the liquid; taking a first plurality of measurements of the level of the liquid in the container; calculating a first variance of the first plurality of measurements; and comparing the first calculated variance with a known threshold variance. Then a second plurality of measurements of the level of the liquid in the container is taken; a second variance of the second plurality of measurements is calculated; and the second calculated variance is compared with a known threshold variance. The above described steps are repeated at incrementally increased back pressures until the first and second calculated variances are each greater than or equal to the known threshold variance, which is about 0.01. The bubble point is determined to be the back pressure at that point. If the determined bubble point is less than or equal to the known threshold bubble point, which is about 0.

Abstract: A method of analyzing spectroscopic data, the method comprising collecting spatially resolved measurement spectroscopic data of a sample for a series of measurements spots, assigning the measurement spots into a predefined set of spectral categories, based on characteristics of the spectroscopic data of the respective measurement spots, identifying groupings of the measurement spots based on their respective spectral categories and their spatial relationships, and assigning each grouping of measurement spots to a fundamental sample unit data object.

Abstract: Nonlinear retention time variations in chromatography-mass spectrometry data sets are adjusted by time-alignment methods, enabling automated comparison of spectra for differential phenotyping and other applications.

Abstract: A distributed analysis system may include at least one analysis instrument for generating sample data from a sample at a local site. A storage device may hold a library of calibration models at a site remote from the local site). A data processor, which may be integral with or separate from the analysis instrument, may determine a trait of the sample using a calibration model selected from the library and the sample data. The data processor may be located at the local site and may be connectable to the storage device via a telecommunications link. The data processor may temporarily retain the selected calibration model received via the telecommunications link.

Abstract: The present invention is directed to a method and apparatus for reducing the effects of window clouding on a viewport window in a reactive environment. One or more clouded viewport windows are obtained for testing, in which the clouding results from exposure to the reactive environment. The clouding typically appears as a coating film on the test windows. The clouded viewport windows are analyzed for one or more spectral regions having good transmission. The threshold level of light transmission is determined by the particular application in which the window is used. The spectral regions of good transmission are evaluated for their usefulness with a particular algorithm that will use the spectral data in a production environment. Spectral regions that cannot be evaluated using the subject algorithm are eliminated from consideration. Spectral regions that can be evaluated using the subject algorithm and exhibit low absorption are selected for monitoring in the production environment.

Abstract: A method for monitoring a FCC catalyst injection system is provided. One embodiment of the invention includes steps for determining an occurrence of a pre-defined event and establishing communication between a control module of the injection system and a remote device in response to the event. In another embodiment of the invention, a method is described which entails the acquisition of data from the injection system by a plurality of sensors. After the data is obtained, it is subsequently stored in the memory device of the control module. Communication is then established between a remote device and the control module to transfer the data.

Abstract: Methods of identifying irreducible bundles and bond bundles of open systems (such as molecules) are described. Methods of determining chemical properties of the molecules, computer systems and computer readable media are also provided.

Abstract: A method for calculating material properties of a material includes determining a dilatational wavespeed and a shear wave speed. The dilatational wavespeed is determined by conducting vertical vibration tests of two specimens of the material, one specimen being twice as thick as the other. Transfer functions are obtained from these tests and used to calculate the dilatational wavespeed. The shear wavespeed is determined by conducting horizontal vibration tests of two specimens with one specimen being twice as thick as the other. The shear wavespeed can be calculated from transfer functions obtained from these tests and the dilatational wavespeed. Other material properties can be calculated from the dilatational and shear wavespeeds. Frequency dependence of the properties can be determined by conducting the tests at different frequencies.

Abstract: It is an object to establish a test method that enables a high-concentration ammonium bisulfide environment to be reproduced at a laboratory level, and enables the corrosivity of a material to be evaluated easily and highly accurately. According to the test method, when evaluating the corrosion resistance of a material under an ammonium bisulfide environment, the corrosion resistance of the material is evaluated by simulating the relationship between the ammonium bisulfide concentration of a test solution and the pressure in advance, and then determining the ammonium bisulfide concentration from the pressure.

Abstract: A method for calculating material properties of a material includes conducting two insertion loss tests of the material having a single thickness and a double thickness. These tests are conducted at a zero wavenumber. Utilizing these insertion loss tests, a dilatational wavespeed is computed. The method continues by calculating a shear wavespeed by performing three insertion loss tests of the material at single, double and triple thicknesses. These tests are conducted at a non-zero wavenumber. A shear wavespeed can be calculated from the dilatational wavespeed and these insertion loss tests. Lamé constants, Young's modulus, Poisson's ratio, and the shear modulus for the material of interest can then be calculated using the dilatational and shear wavespeeds.

Abstract: A method for determining storage stability for a plurality of fluid lubricant samples of different compositions is provided. Each sample includes one or more lubricating oil additives, or a combination of one or more lubricant base oils and one or more lubricating oil additives. The methods can advantageously be optimized using combinatorial chemistry, in which a database of combinations of lubricating oil additives or lubricating oil compositions containing such additives are generated. As market conditions vary and/or product requirements or customer specifications change, conditions suitable for forming desired products can be identified with little or no downtime.

Abstract: A method for analyzing data from a mass spectrometer including obtaining calibrated mass spectral data involving at least one ion with its isotopes, by processing raw spectral data; obtaining library spectral data which has been processed to form calibrated library data; and performing a regression analysis, preferably using matrix operations, between the calibrated mass spectral data and the calibrated library data; and reporting at least one regression coefficient representative of a relative concentrations of a component in a sample which generated the raw spectral data. The invention is also directed to a mass spectrometer system that operates in accordance with the method, a data library of transformed mass spectra, and a method for producing the data library.

Abstract: An exhaust emission analysis system is provided that includes an exhaust and dilution gas source respectively providing exhaust and dilution gases. A dilution unit includes exhaust and dilution gas mass flow controllers, fluidly connected to the exhaust and dilution gas sources. The mass flow controllers define a gas flow rate of gas from their respective gas source. A connection mixes the gases to provide a diluted exhaust gas having an incorrect dilution ratio. A water measurement device measures the water content of the exhaust gas. A water content dilution signal is sent from the water measurement device to a control device. An adjustment factor is calculated by the controller and a flow rate command signal is sent from the controller, to the exhaust gas mass flow controller to adjust the gas flow rate of the exhaust gas and provide a corrected dilution ratio at the connection.

Abstract: A principal object of the present invention is to provide a standard sample that allows accurate testing and calibration of a circular dichroism spectrometer, and which can also be applied to testing and calibration of a UV-visible spectrophotometer.

Abstract: A method for collecting and analyzing spectrum data to identify a composition of a sample material is described. The method includes obtaining a sample material, receiving a geographical location of the sample material at a handheld instrument, and analyzing the sample material to obtain sample spectrum data using the handheld instrument. The method also includes determining whether to perform an analysis of the sample spectrum data using the handheld instrument, or to perform the analysis of the sample spectrum data using a remote computer. The method also includes determining a composition of the sample material based on an analysis of the sample spectrum data and recording in a memory area at least one of the composition and the geographical location of the sample material.

Abstract: The invention relates to methods and systems for predicting or estimating the melting temperature of duplex nucleic acids, in the presence of divalent cations, particularly duplexes of oligonucleotides which may be used as, for example, but not limited to primers or probes in PCR and/or hybridization assays. The methods and algorithms use novel formulas, having terms and coefficients that are functions of the particular nucleotide sequence, to estimate the effect of divalent cation salt conditions on the melting temperature.

Abstract: Systems and techniques for analyzing information gathered by multiple analytical techniques. In one aspect, a method includes receiving analytical information, gathered by multiple analytical techniques, regarding a sample, receiving expectations regarding a sample parameter, and estimating a value of the sample parameter based on the analytical information and the expectations regarding the sample parameter.

Abstract: A system for performing spectral microanalysis delivers analysis results during the course of data collection. As spectra are collected from pixels on a specimen, the system periodically analyzes the spectra to statistically derive underlying spectra representing proposed specimen components, wherein the derived spectra combine in varying proportions to result (at least approximately) in the measured spectra at each pixel. Those pixels having the same dominant proposed component, and/or which contain at least approximately the same proportions of the proposed components, may then have their measured spectra combined (i.e., added or averaged). These spectra may then be cross-referenced via reference libraries to identify the components actually present.

Abstract: The invention concerns a method and system for determining the age of an object such as a product containing volatile components, comprising: measuring a first strength of a first scent with a first electronic sensor, the decay rate constant of the first scent being known; measuring simultaneously a second strength of a second scent with a second electronic sensor, the decay rate constant of the second scent being known; calculating a current scent ratio (?) of the two scent strengths; and determining the age of the object from a reference time for which a reference scent ratio (?0) of the scent strengths has been registered.

Abstract: A multifunctional portable electronic device (100) that easily allows a user to test their breath-alcohol level is described. A power module (10) supplies a working voltage to an alcohol-testing module (12) and an output voltage generated according to a test result from the alcohol-testing module. A signal processor converts the output voltage of the alcohol-testing module into a digital signal and calculates out a corresponding alcohol concentration value that can be displayed on a display module (18).

Abstract: Improved systems, apparatus, methods, and programming useful for the automated analysis of complex compounds using mass spectrometers. Systems, apparatus, methods, and programming according to the invention provide for the automatic determination by a controller 54 of a mass spectrometer 14, 214 of an analysis operation to be implemented using the mass spectrometer, the analysis operation adapted specifically for analysis of one or more substances based contained within a compound based on identification of the compound and/or substances provided by a user of the spectrometer, and a database 66 or other library of information concerning suitable processes or process steps for analyzing substances.

Abstract: An exemplary method for measuring the electrical resistance and/or electrical conductivity of solutions, includes: exciting the electrodes with a rectangular shaped, alternating current of a certain frequency fH through a connecting cable; synchronously rectifying a voltage of the electrodes of the measuring cell in response to the alternating current, calculating a first average voltage, dividing the first average voltage by the current amplitude to obtain a first impedance RH; then exciting the electrodes with a rectangular shaped, alternating current of another frequency fL through the connecting cable; synchronously rectifying the voltage of the electrodes in response to the alternating current, calculating a second average voltage, and dividing the second average voltage by the current amplitude to obtain a second impedance RL.

Abstract: A novel numerical and graphical representation has been developed to better comprehend the physicochemical, biological and pharmacokinetic properties of drug-like compounds. Abbreviated profile of drug (A-POD) would help in considering and visualizing the various compound characteristics as one entity. The salient features of A-POD are: a unique way of representing the compound properties, computer friendly numerical string representation making comparison of any properties possible, graphical representation that gives a snapshot of properties and their relative changes, and its usefulness in qualitatively predicting the ADMET properties based on chemical properties alone. This simple yet powerful web-based tool is especially useful in comparing any two compounds at one time. A new therapeutic agent can be compared with the reference compound quickly and easily, by checking which properties are affected and finding out whether it possesses better drug-like properties.

Abstract: Method and system for determining chemical composition of a single-component or multiple-component gas, using a discharge holdoff mechanism. A voltage difference V between two spaced apart electrodes is brought to a selected value and held, the holdoff time interval ?t(V;ho) required before gas discharge occurs is measured, and the associated electrical current or cumulative electrical charge is measured. As the voltage difference V increases, the time interval length ?t(V;ho) decreases monotonically. Particular voltage values, V? and V0, correspond to initial appearance of discharge (?t??) and prompt discharge (?t?0). The values V? and V0 and the rate of decrease of ?t(V;ho) and/or the rate of increase of current or cumulative charge with increasing V are characteristic of one or more gas components present.

Abstract: The invention relates to a method for determining the ignitability of fuel, particularly of diesel, biodiesel, gas-to-liquid (GTL) or biomass-to-liquid (BTL) fuel, with an unknown fuel quality for an internal combustion engine.

Abstract: A method for determining the composition of a material including the steps of fitting multivariate analytical data of the material to a combination of multivariate analytical data in a database to determine coefficients of the combination so as to determine a reference model of composition based on the coefficients and the compositions in the database, wherein the database includes multivariate analytical data of database materials whose compositions are known, and reconciling the reference model of composition to match properties of the material.

Abstract: A method for determining the water conductivity of a multi-component mixture of gas and at least one liquid containing water in a pipe, the method comprising the following steps: a. electromagnetic measurements at least two measurement frequencies are performed in a pipe near the pipe wall at a first cross-sectional location where the mixture predominantly contains gas and at a second cross-sectional location where the mixture predominantly contains liquid, b. the temperature of the multi-component mixture is determined, and c. based on an empirically determined relationship between the measurements performed is step a and b and the conductivity of pure water, the conductivity of the water contained in the multi-component mixture is determined. An apparatus for performing the method is also disclosed.

Abstract: Provided are a water toxicity detecting apparatus and a method using sulfur particles.

Abstract: A spectroscopic identification method and system are provided that uses the primary or main spectroscopic features of a source, such as those as arising from chemical functional groups, to describe and distinguish the source. These primary spectroscopic features make up a portion (i.e., are a subset) of the entire spectroscopic data for a particular source but can nevertheless be used as the basis of separating spectra from multiple source. When analyzing spectroscopic data obtained from a sample for one or more sources, the analysis first focuses on the primary spectroscopic features for a source rather than the entire spectra for a source.