Abstract:
A data processing apparatus that processes a spectral data item which stores, for each of a plurality of spectral components, an intensity value, includes a spectral component selecting unit and a classifier generating unit. The spectral component selecting unit is configured to select, based on a Mahalanobis distance between groups each composed of a plurality of spectral data items or a spectral shape difference between groups each composed of a plurality of spectral data items, a plurality of machine-learning spectral components from among the plurality of spectral components of the plurality of spectral data items. The classifier generating unit is configured to perform machine learning by using the plurality of machine-learning spectral components selected by the spectral component selecting unit and generate a classifier that classifies a spectral data item.
Abstract:
The present invention relates to a method of predicting a performance characteristic of a plant or yeast hydrolysate, wherein a plant or yeast hydrolysate sample is measured with 2D fluorescence spectroscopy in powder form. Said method comprises the steps for providing a model based on a predetermined value of a manufacturing parameter of interest. For this purpose a training set consisting of predetermined manufacturing parameter of interest (e.g volumetric productivity parameter, virus titer or cell number) and fluorescence spectroscopic data is used. The fluorescence spectroscopic data is correlated to the values of the manufacturing parameter of interest to obtain a calibration model/model parameters by applying multivariate data analysis. This calibration model is being used to predict the manufacturing parameter of interest for new samples dedicated for the manufacturing process. This prediction is used for a decision to accept or reject the lot which corresponds to the respective sample for use in the manufacturing process or for further evaluation depending on the pre-defined range of the manufacturing parameter of interest. The invention further relates to a method for preparation of a cell culture medium, preferably an animal protein free cell culture medium, a method for cultivating cells, a method for producing a recombinant target protein, a method for producing an immunogenic composition, whereby the above method of predicting a performance characteristic has been used for selecting the plant or yeast hydrolysate to be used in the manufacturing process.
Abstract:
A method for identifying the presence of at least one adulterant substance in a sample. The method comprises receiving sets of sample spectral data, reference spectral data, validation spectral data each set for a respective validation example, and adulterant substance spectral data for said at least one adulterant substance. From these residue data which is representative of a residue which would remain after performing a least squares fitting process between the sample spectral data and the reference spectral data is determined and modified sample residue data which is representative of a residue which would remain after performing a least squares fitting process between the sample spectral data, the reference spectral data and the adulterant substance spectral data is determined. The corresponding two residue data sets are also determined for each validation example. The method then includes performing at least one comparison amongst the sample residue data, the modified sample residue data, the validation residue data, and the modified validation residue data; and determining a likelihood value for the presence of said at least one adulterant substance in said sample in dependence on said at least one comparison; and outputting said likelihood value.
Abstract:
A method is provided for monitoring one or more silicon-containing compounds present in a biogas. The method includes generating a first absorption spectrum based on a ratio of a first spectral measurement and a second spectral measurement. The first spectral measurement is from a non-absorptive gas having substantially no infrared absorptions in a specified wavelength range of interest and the second spectral measurement is from a sample gas comprising the biogas. The method includes generating at least one surrogate absorption spectrum based on, at least, individual absorption spectrum for each of a subset of one or more silicon-containing compounds selected from a larger set of known silicon-containing compounds with known concentrations. A total concentration of the one or more silicon-containing compounds in the biogas can be calculated based on the first absorption spectrum and the at least one surrogate absorption spectrum.
Abstract:
A calibration curve generation method includes acquiring an independent component matrix including independent components of each sample the independent component matrix by performing first pre-processing that includes normalizing observation data, second pre-processing that includes whitening, and independent component analysis processing in order. Further, the same noise is added to the observation data related to a plurality of samples in the first pre-processing.
Abstract:
A target component calibration device includes a mixing coefficient calculating section that calculates mixing coefficients of target components regarding a test object based on observational data regarding the test object and calibration data, and a target component content calculating section that calculates the content of target components based on the mixing coefficients calculated by the mixing coefficient calculating section and a simple regression equation representing the relationship between the content and the mixing coefficients corresponding to the target components. The target component content calculating section adjusts at least one of two constants of the simple regression equation depending on a measurement condition when the observational data is obtained.
Abstract:
The present invention relates to systems and methods for the determination of the secondary structure composition of proteins using coherent two-dimensional infrared (2DIR) spectroscopy of backbone amide I vibrations (1580-1720 cm−1). Fractions of α-helix, β-sheet, and unassigned regions in globular proteins were determined by singular value decomposition using basis spectra from sixteen commercially-available proteins with known crystal structures. Preferred methods included removing each protein from the set and comparing the predicted composition against the crystal structure. The root-mean-squared (RMS) errors of the predicted secondary structure compositions were found to be 7.9% for α-helix, 5.5% for β-sheet, and 7.6% for unassigned regions. The structure analysis can also be performed using one-dimensional absorption spectra and the RMS errors are compared with those obtained from 2DIR.
Abstract:
A method for analyzing biological specimens by spectral imaging to provide a medical diagnosis includes obtaining spectral and visual images of biological specimens and registering the images to detect cell abnormalities, pre-cancerous cells, and cancerous cells. This method eliminates the bias and unreliability of diagnoses that is inherent in standard histopathological and other spectral methods. In addition, a method for correcting confounding spectral contributions that are frequently observed in microscopically acquired infrared spectra of cells and tissue includes performing a phase correction on the spectral data. This phase correction method may be used to correct various types of absorption spectra that are contaminated by reflective components.
Abstract:
Apparatuses and methods for determining the composition of liquid, including a liquid drug (e.g., IV drug) and a liquid drug waste. The apparatuses described herein may determine the identity of one or more drugs in the liquid, the concentration of the drug, and the type of diluent using spectroscopy (such as optical and/or complex immittance spectrographic information). These apparatuses (e.g., devices, systems) and methods are particularly useful for describing the identity and, in some variations, concentration of one or more components of a medical liquid such as intravenous fluid. Also described are methods of recognizing spectroscopic information, e.g., profiles of optical and/or complex immittance spectrograph patterns to determine the composition of a liquid by pattern recognition.
Abstract:
Multimodal optical spectroscopy systems and methods produce a spectroscopic event to obtain spectroscopic response data from biological tissue, either ex vivo or in vivo, and compare the response data with a model configured to correlate the measured response data and the most probable attributes of the tissue, thus facilitating classification of the tissue based on those attributes.