533 results about "Chemometrics" patented technology

A method and apparatus for analyzing and treating internal tissues and, in particular, tissues affected by myocardial infarct. The apparatus includes a catheterized device integrating an optical probe and treatment delivery system. The probe component includes fiber optic lines that can be used in conjunction with infrared spectroscopy to analyze various characteristics of tissues, including chemical, blood, and oxygen content, in order to locate those tissues associated with myocardial infarct, to determine the best location for applying treatment, and to monitor treatment and its effects. Physically integrated with the probe component is a treatment component for delivering treatments including stem cell and gene therapy, known for having beneficial effects on tissues associated with myocardial infarct. A control system coordinates operation of the catheter, including performing chemometric analysis with the use of model data, and for providing control and visual feedback to an operator.

This invention pertains to chemometric methods for the analysis of chemical, biochemical, and biological data, for example, spectral data, for example, nuclear magnetic resonance (NMR) spectra, and their applications, including, e.g., classification, diagnosis, prognosis.

This invention pertains to chemometric methods for the analysis of chemical, biochemical, and biological data, for example, spectral data, for example, nuclear magnetic resonance (NMR) spectra, and their applications, including, e.g., classification, diagnosis, prognosis, etc., especially in the context of bone disorders, e.g., conditions associated with low bone mineral density, e.g., osteoporosis.

The invention relates to a method for rapidly detecting the content of index components of Chinese medicinal materials by using near-infrared spectroscopy technology, which can realize the rapid detection of the comprehensive quality of Chinese medicinal materials. Collect the sample, collect the near-infrared diffuse reflectance spectrum of the sample, and preprocess the obtained spectrum, then use the detection method corresponding to the sample in the conventional method to measure the content of its index components, and combine the spectrum with the content of the index components, The quantitative analysis model is established by adopting the chemometrics method suitable for the analysis of the components of traditional Chinese medicine, the sample to be tested is crushed, and its near-infrared spectrum is scanned, and the spectrum is input into the quantitative analysis model to measure the content of the index components in the Chinese medicinal material. The whole process takes a short time, is fast and accurate, can be measured online, improves production efficiency, greatly saves manpower and material resources, and can generate huge economic and social benefits.

This invention pertains generally to the field of multivariate statistics, and in particular to new methods for the analysis (e.g., chemometrics) of chemical, biochemical, and biological data, including, for example, spectral data, including but not limited to nuclear magnetic resonance (NMR) spectral data. These methods are useful, for example, in metabonomics, proteomics, transcriptomics, genomics, etc., and form a part of other methods, for example, methods for the identification of chemical species, methods for the identification of biomarkers that are useful in methods of classification, diagnosis, prognosis, etc.

A method is described for providing rapid on-line analyses of chemical compositions such as chemical process streams, utilizing near-infrared (NIR) spectroscopy in combination with chemometrics. In the method, for each type of analysis to be conducted, a database is provided by analyzing a series of samples using standard laboratory analytical procedures, utilizing the results as reference values to establish quantitative calibration models from NIR spectroscopy using chemometric techniques and storing this information in a computer database. An NIR spectroscopic system is also provided comprising a transflectance or a transmittance probe coupled via fiber-optic cables to a stable white light source and a spectrograph. The probe is inserted into a test sample or chemical process stream to be analyzed, a stable white light of selected wavelength range is beamed to the probe and the spectra obtained on the spectrograph are recorded. Finally the spectra obtained are correlated to the reference data stored in the computer to obtain a rapid measurement of the analysis desired.

The invention discloses a method for measuring anthocyanin content in wine grape pericarp based on hyperspectrum. The method comprises the following steps: randomly picking off 1500 grapes from four plants in different yields and different levels, using 60 samples in total and taking each 25 grapes as a sample, randomly dividing the samples into a correction set and a check set, wherein the correction set comprises 40 samples and the check set comprises 20 samples; obtaining spectrum data of wine grape pericarp by using near-infrared hyperspectral image; measuring the anthocyanin content by using pH differential method; and establishing a prediction mode of the anthocyanin content in grape pericarp by combining the spectrum pre-treatment method and chemometrics modeling method. By adopting the spectral imaging technology, the imaging technology is combined with the spectrum detection technology, the target space feature is imaged, and the detection speed is fast, the efficiency is high and the cost is low; the method disclosed by the invention is suitable for the noninvasive detection about the quality and safety of the agricultural products, and the anthocyanin content in the wine grape pericarp is effectively detected.

The invention discloses a near infrared spectrum analyzing method based on the isolated component analysis and genetic neural network, which comprises the following steps for the acquired near infrared spectrum: firstly, effectively compressing spectrum data by using wavelet transform; secondly, extracting an independent component and a corresponding mixed coefficient matrix of a near infrared spectrum data matrix by using an isolated component analysis method; thirdly, building a three-layer BP neutral network, using the mixed coefficient matrix of a training sample as the input and correspondingly measured component concentration matrix as the output, and optimizing a neutral network structure by adopting a genetic algorithm, and obtaining a GA-BP neutral network by the training of the training sample; fourthly, predicting and analyzing the measured component concentration of the predicted set sample by using the GA-BA neutral network. The method enriches the chemical measurement method, widens the application range of the isolated component analysis and has favorable application prospect.

The present invention provides a simple, robust, and versatile high-resolution spectrometer that is suitable for downhole use. The present invention provides a method and apparatus incorporating a spinning, oscillating or stepping optical interference filter to change the angle at which light passes through the filters after passing through a sample under analysis downhole. As each filter is tilted, the color or wavelength of light passed by the filter changes. Black plates are placed between the filters to isolate each filter's photodiode. The spectrometer of the present invention is suitable for use with a wire line formation tester, such as the Baker Atlas Reservation Characterization Instrument to provide supplemental analysis and monitoring of sample clean up. The present invention is also suitable for deployment in a monitoring while drilling environment. The present invention provides a high resolution spectometer which enables quantification of a crude oil's percentage of aromatics, olefins, and saturates to estimate a sample's gas oil ratio (GOR). Gases such as CO2 are also detectable. The percentage of oil-based mud filtrate contamination in a crude oil sample can be estimated with the present invention by using a suitable training set and chemometrics, a neural network, or other type of correlation method.

The invention relates to a method for detecting the nitrogen content in fresh tea leaves by a visible and near-infrared diffuse reflection spectrum technology, belonging to the technical field of agriculture and forestry life information detecting. The method comprises the steps: firstly, a portable radiation spectrometer is utilized to acquire diffuse reflection spectral information on the fresh tea leaves of a canopy in the range 350 to 2500nm; the nitrogen content in fresh tea leaves is accurately measured by a national standard method in a laboratory and the relative value of the nitrogen content in fresh tea leaves is measured fast by an SPAD and the like; then a calibration model of the nitrogen content in fresh tea leaves is established by a chemometrics method; and finally, the calibration model is used for detecting or evaluating the nitrogen content of fresh tea leaves to be detected. The method can detect the nitrogen content in fresh tea leaves quickly and accurately without damages, and conveniently estimate the nitrogen nutrition level of tea plants, thus providing parameter basis and guidance for the fertilizing management in tea garden field.

A method is described for assessing at least one characteristic of a fluid held in a container that utilizes visible—near infrared (VIS-NIR) spectroscopy in combination with chemometrics. A method is also provided for calibrating VIS-NIR analyser(s) operating in transflectance mode for one or more characteristics of a fluid.

The invention discloses a chilled fresh meat quality non-destructive testing method based on a hyperspectral imaging technology. The method includes the steps of: 1) collecting and preparing a large number of chilled fresh meat samples, and collecting hyperspectral data of the chilled fresh meat samples by means of a hyperspectral imaging system; 2) according to national standard demand, testing physical and chemical reference values of to-be-tested quality indices of the chilled fresh meat samples by means of physical and chemical methods; and 3) with the acquired hyperspectral data and the physical and chemical reference values of the chilled fresh meat samples, establishing a hyperspectral prediction module of the to-be-tested quality indices of the chilled fresh meat by means of data processing methods such as machine learning, chemometrics and the like. When the method is applied to detection of content of TVB-N in beef, abnormal samples of chilled fresh beef are rejected through a MCS method, and then chilled fresh beef sample sets are divided through a CG algorithm; a CARS algorithm is employed to establish a PLSR model by optimally selecting a characteristic wave band of the content of TVB-N in the beef. The model has excellent prediction function.

The present invention provides a simple, robust, and versatile high-resolution spectrometer that is suitable for downhole use. The present invention provides a method and apparatus incorporating a spinning, oscillating or stepping optical interference filter to change the angle at which light passes through the filters after passing through a sample under analysis downhole. As each filter is tilted, the color or wavelength of light passed by the filter changes. Black plates are placed between the filters to isolate each filter's photodiode. The spectrometer of the present invention is suitable for use with a wire line formation tester, such as the Baker Atlas Reservation Characterization Instrument to provide supplemental analysis and monitoring of sample clean up. The present invention is also suitable for deployment in a monitoring while drilling environment. The present invention provides a high resolution spectometer which enables quantification of a crude oil's percentage of aromatics, olefins, and saturates to estimate a sample's gas oil ratio (GOR). Gases such as CO2 are also detectable. The percentage of oil-based mud filtrate contamination in a crude oil sample can be estimated with the present invention by using a suitable training set and chemometrics, a neural network, or other type of correlation method.

A former foundation method of chemistry component content to plant fibrin material gathers close infrared spectroscopic to plant fibrin material sample and sets up quantitative analysis former according the chemistry component content to the plant fibrin material sample based on the close infrared spectroscopic by adopting chemistry metrology method. A part of the said plant fibrin material sample is at least mixed plant fibrin material sample. The said mixed plant fibrin material sample is at least one of the mixtures of plant fibrin material sample with known chemistry component content. According the former establishing method

The invention discloses a chemical production on-line fault detection and diagnosis technique based on a physical-large data hybrid model. The chemical production on-line fault detection and diagnosis technique is characterized by comprising the following steps: after selecting a target operation unit, scanning all historical data of the unit, and after parameters are verified, establishing an accident knowledge base and a parameter model; in later on-line detection process, directly loading on-line data into the parameter model, scanning so as to obtain fault data in the on-line data, making an alarm, and comparing the fault data with data in the accident knowledge base, thereby obtaining fault reasons. The method disclosed by the invention is applied to confirmed single chemical unit operation, a reliable physical model can be established, a chemometrical method is used in the whole production process, a big-data processing technique is introduced to process real-time data of years, operators focus on faults of performance indexes within a controllable variable range, and the influence of uncontrollable production process variable to fault detection is eliminated.

The invention relates to a method for identifying Chinese herbal medicines by using THz-TDS combined with chemometrics, which mainly comprises the following steps: carrying out detection on a Chinese herbal medicine sample by using the THz-TDS so as to obtain a terahertz time domain spectroscopy, and after the terahertz time domain spectroscopy is subjected to Fourier transform and calculated by using Timothy and Duvillaret methods, obtaining an absorption coefficient spectrum, and dividing the absorption coefficient spectrum into a training-set sample and a validating-set sample absorption coefficient spectrum; carrying out preprocessing on the training-set sample and the validating-set sample absorption coefficient spectrum by using an orthogonal signal correction method; establishing a qualitative analysis model by using the least squares support vector machine (SVM) method according to the training-set sample and the validating-set sample absorption coefficient spectrum so as to carry out identification on the Chinese herbal medicine sample. The method disclosed by the invention is simple, pollution-free, capable of rapidly and accurately carrying out nondestructive identification on the Chinese herbal medicines, and applicable to the quality control in the process of Chinese herbal medicine production, and the identification accuracy of the method can reach 97.84+ / -1.62%.

A method for determining contamination in marine diesel lubricating oils. The method has been found to have particular utility in estimating asphaltenes contamination in marine diesel lubricating oils. The method includes the steps of: (a) obtaining spectral raw data over a frequency range substantially equivalent to that of ultraviolet-visible light for reference lubricating oil samples with known properties and concentrations of asphaltenes; (b) performing chemometric techniques to the spectral raw data obtained in step (a) to develop a calibration model and calibrate the spectral data with actual values for parameters reflecting the level of asphaltenes contamination of the reference samples, the actual values determined by means of conventional analytical methods; (c) obtaining spectra of samples of marine diesel lubricating oil of unknown concentration of asphaltenes over a frequency range substantially equivalent to that of ultraviolet-visible light; and (d) processing the obtained spectral raw data of step (c) and applying the developed calibration model to the processed data in order to determine the parameters reflecting the level of asphaltenes present in the marine diesel lubricating oil.

An NIR analyzer with the optical probes across a pipe, or in a bypass configuration, after a stabilizer in an oil or condensate production plant. Prior to use, liquid samples from the plant are analyzed in a chemical lab to obtain reference vapor pressure or compositional values. A chemometric model using known techniques is then built with the captured absorption spectra and the reference lab results. Preprocessing methodologies can be used to help mitigate interferences of the fluid, instrument drift, and contaminate build up on the lenses in contact with the fluid. The chemometric model is implemented through the NIR analyzer as the calibration curve to predict the vapor pressure or other values of the flowing fluid in real time.

A method of programmatically reducing a set of collected LC-MS or LC-MS / MS data such that true chromatographic and MS peaks are identified for use in Metabonomics is disclosed. The identified peaks are used to create a list of LC / MS, GC / MS, DIOS-MS or MALDI-MS signals and responses for a batch of samples which appear in a Master Entity List. The samples in the Master Entity List are then subjected to isotope de-clustering and adduct removal prior to chemometrics being applied to automatically identify biomarkers. An LC-MS / MS or LC / MS, GC / MS, DIOS-MS or MALDI-MS acquisition list is generated for the signals identified as responsible for the PLS-DA or PCA separation. The LC or GC retention time, exact mass and MS / MS spectrum may be compared to databases of known compounds and identified compounds associated with biological parameters may be stored in a new compound database.

The invention discloses an olfactory imaging sensing technology based yellow wine storage time identification method and an identification system. The method specifically includes the steps of: making an olfactory imaging sensor; acquiring an image of the olfactory imaging sensor before reaction through a scanner or a CCD camera; reacting the olfactory imaging sensor with yellow wine volatiles; acquiring an olfactory imaging sensor image after reaction; extracting the color features of each color developing agent before and after reaction in an imaging sensor array, and calculating the color feature change before and after reaction; and carrying out classification identification on yellow wine with different wine storage time by combining a chemometric method. The method and the system provided in the invention overcome the defect of humidity sensitivity in traditional smell sensors, and have the advantages of fast detection speed, high sensitivity, and accurate result.

Methods and apparatus for real-time dynamic analysis of a chemical etching process are provided. The apparatus comprises an optical element (36) operative to pass a beam of electromagnetic radiation at least at two points in time through a liquid phase (42) comprising at least one chemical component and including an etchant, wherein the etchant is operative to etch a solid. A detector (60) is operative to perform an ex-situ non-contact scanning detection of the electromagnetic radiation subsequent to passing through the liquid phase in a near infra-red range (700-2500 nm) at the at least at two points in time so as to detect a change in an optical property of at least one of the at least one chemical component and the etchant. The apparatus further comprises a processor (64) operative to activate an algorithm so as to compare the change in the optical property of the at least of the at least one chemical component and the etchant received from the detector so as to provide data concerning a change in concentration of the etchant; and further configured to perform a chemometric manipulation of the data so as to provide a rate of etching of the solid.

The invention relates to a method for establishing an agilawood oil content near infrared spectral prediction model, and belongs to the technical field of physical and chemical detection. The method comprises the following steps: acquiring spectral data of agilawood powder by applying a DA7200 near-infrared spectrum analyzer; then guiding the spectral data acquired from Simplicity TM software in a format of JCAMP-DX into chemometrics software The Unscrambler 9.8 so as to obtain a near-infrared original spectrogram of an agilawood powder sample; and then correlating the convectional determined result of the agilawood oil content and near-infrared spectral data of a sample pretreated by spectrum by a partial least squares so as to establish the agilawood oil content near infrared spectral prediction model. The established model is relatively high in model prediction accuracy, can be used for actually predicting an unknown sample, and can be mainly used for detecting the fragrance formation quality of agilawood rapidly.

A fiber authentication method collects near infrared spectrum data of fibers to be authenticated, utilizes chemical metrological method to analyze relativity between the near infrared spectrum data of the fibers to be authenticated and near infrared spectrum of standard fiber samples and authenticates whether the fibers to be authenticated belong to a same sort with the standard fiber sample according to relevant coefficients. The fiber authentication method of the present invention only collects near infrared spectrum data of fibers to be authenticated and utilizes chemical metrological method to analyze relativity of near infrared spectrum data of fibers to be authenticated and standard sample fibers to authenticate whether the fiber to be authenticated belongs to a same sort with the standard fiber sample, thus completing authentication in several minutes and bringing accurate authentication results.

A system and method for determining a disease state and clinical outcome of a sample. A sample is illuminated to produce Raman scattered photons, the Raman scattered photons are assessed to generate a Raman spectroscopic data set representative of the sample, wherein said Raman spectroscopic data set comprises at least one of: a Raman spectra of the sample and a spatially accurate wavelength resolved Raman image of the sample; the Raman spectroscopic data set is evaluated using a chemometric technique to classify the disease state of the sample as: acute, chronic, incipient, or none. In one embodiment, the chemontric technique is principle component analysis. In another embodiment, the sample is obtained prior to transplantation and analysis can determine the likelihood of rejection by a host.

The present invention provides a simple, robust, and versatile high-resolution spectrometer that is suitable for downhole use. The present invention provides a method and apparatus incorporating a spinning, oscillating or stepping optical interference filter to change the angle at which light passes through the filters after passing through a sample under analysis downhole. As each filter is tilted, the color or wavelength of light passed by the filter changes. Black plates are placed between the filters to isolate each filter's photodiode. The spectrometer of the present invention is suitable for use with a wire line formation tester, such as the Baker Atlas Reservation Characterization Instrument to provide supplemental analysis and monitoring of sample clean up. The present invention is also suitable for deployment in a monitoring while drilling environment. The present invention provides a high resolution spectometer which enables quantification of a crude oil's percentage of aromatics, olefins, and saturates to estimate a sample's gas oil ratio (GOR). Gases such as CO2 are also detectable. The percentage of oil-based mud filtrate contamination in a crude oil sample can be estimated with the present invention by using a suitable training set and chemometrics, a neural network, or other type of correlation method.

A control device for an internal combustion engine switches an air-fuel ratio of an air-fuel mixture in a cylinder from a first air-fuel ratio leaner than stoichiometry for normal operation to a second air-fuel ratio richer than the stoichiometry. During a switching period from beginning to end of the switching, the control device carries out intake throttling to control the air-fuel ratio of the air-fuel mixture in the cylinder to a third air-fuel ratio richer than the first air-fuel ratio and leaner than the stoichiometry, while learning a correction value for a fuel injection amount. During the switching period, before the intake throttling is completed, the control device carries out such a post-injection as prevents injected fuel from being combusted and learns the correction value. After the intake throttling is completed, the control device carries out such an after-injection as allows the injected fuel to be incompletely combusted and learns the correction value.

The invention discloses a near infrared quality control analysis method of tobacco. The method comprises the following steps of: collecting representative tobacco samples and grinding into powder; opening a tobacco sample acquisition instrument and preheating; setting parameters of the instrument; scanning the representative tobacco samples one by one; selecting an unknown sample, grinding into powder and forming a scanner spectrogram; opening a chemometric module of an analysis system, selecting an algorithm, preprocessing spectral data and establishing a correction model: setting a wavelength range of between 700 and 1,100nm, standardizing a spectrum value and chemical value, saving the established model and starting to correct the model; and predicting the sample and starting to calculate after selecting the unknown sample so as to obtain a quantitative and qualitative sample analysis result. Through the method and the system, the quality parameter of the tobacco can be quickly measured, and the quality of the tobacco can be quickly measured, controlled and analyzed on site. The method and the system are also suitable for quality monitoring of medicaments, milk, milk powder and the like, raw material comparison, analysis of product consistency and the like.

In order to overcome the defects that the analysis method for detection of mango hardness is complex to operate and is laborious and time-consuming, and fruit bodies are damaged in the detection, the invention provides a rapid detection method for the mango hardness based on a near infrared spectroscopic analysis technology. The rapid detection method comprises the follow steps of: collecting mango samples for modeling; measuring the near infrared spectra of the samples; pre-processing the spectra; measuring the hardness of the mango samples by using a standard method; establishing a calibration model between the near infrared spectra and the mango hardness by using a chemometrics method; verifying and optimizing the model; collecting the near infrared spectra of the samples to be detected, and quantitatively detecting the hardness of the samples by using the model. The method provided by the invention is rapid in detection, has no damage to the fruit bodies, and provides a technical base for dynamic detection and tracking of mango quality in a logistic process.