CN107024436A - A kind of method for analyzing medicine to cytosis point - Google Patents

A kind of method for analyzing medicine to cytosis point Download PDF

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Publication number
CN107024436A
CN107024436A CN201710395663.1A CN201710395663A CN107024436A CN 107024436 A CN107024436 A CN 107024436A CN 201710395663 A CN201710395663 A CN 201710395663A CN 107024436 A CN107024436 A CN 107024436A
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matrix
characteristic
cell
principal component
root
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陶涛
武敬力
王广平
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Beijing Institute of Environmental Features
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Beijing Institute of Environmental Features
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    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands

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  • Spectroscopy & Molecular Physics (AREA)
  • Health & Medical Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
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  • Analytical Chemistry (AREA)
  • Biochemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • General Physics & Mathematics (AREA)
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  • Investigating Or Analysing Biological Materials (AREA)
  • Investigating Or Analysing Materials By Optical Means (AREA)

Abstract

The invention provides a kind of method for analyzing medicine to cytosis point.This method includes:Cell is divided into two classes, first kind cell is normally cultivated, and Equations of The Second Kind cell is acted on cell with medicine;Two class cells are detected with spectrum, the spectroscopic data of two class cells is obtained respectively;The spectroscopic data of acquisition is standardized, normalized matrix is obtained;Calculated according to normalized matrix and obtain correlation matrix;The characteristic root for the characteristic equation for obtaining correlation matrix is calculated, and corresponding characteristic vector is obtained to the calculating of each characteristic root;According to each characteristic vector, the spectroscopic data after standardization is changed into principal component;According to obtained principal component, the principal component curve of load is calculated;Application point of the medicine to cell is obtained according to the analysis of the principal component curve of load.More accurate analysis result can be drawn using the present invention, it is ensured that the accuracy of analysis result.

Description

A kind of method for analyzing medicine to cytosis point
Technical field
The application is related to cell principal component analysis technical field, more particularly to a kind of side for analyzing medicine to cytosis point Method.
Background technology
Medicine is accurate research drug toxicology, pharmacological important means to the effect point analysis of cell.Medicine is to thin Born of the same parents act on, some action protein matter, some effects DNA.Tradition research medicine of the prior art to the method for cytosis point, Such as flow cytometer, fluorescence microscope method, accuracy is not high and larger to cellular damage.Spectral detection is a kind of non- The detection of damage, it is not necessary to processing, this method and traditional cell detection means, such as streaming such as be marked, damage to cell Cell art etc. is compared, and has incomparable advantage.
In spectral method of detection in the prior art, the spectrum number of the cell before control drug is acted on and after effect According to, the spectral signature peak intensity before and after drugs compared effect, and intracellular specified protein, DNA are analyzed according to strength relationship Content, and then draw application point of the medicine to cell.But, due to there is nuance between cell and cell, even Same cells in same environment, cell component is also not quite similar.Therefore, if only compareing the spectral signature peak of tested cell Intensity, then inevitably contain the difference composition of cell, so it is impossible to ensure that the accuracy of measurement result.
The content of the invention
In view of this, the invention provides a kind of method for analyzing medicine to cytosis point, so as to draw more Accurate analysis result, it is ensured that the accuracy of analysis result.
What technical scheme was specifically realized in:
A kind of method for analyzing medicine to cytosis point, this method includes:
Cell is divided into two classes, first kind cell is normally cultivated, and Equations of The Second Kind cell is acted on cell with medicine;
Two class cells are detected with spectrum, the spectroscopic data of two class cells is obtained respectively;
The spectroscopic data of acquisition is standardized, normalized matrix is obtained;
Calculated according to normalized matrix and obtain correlation matrix;
The characteristic root for the characteristic equation for obtaining correlation matrix is calculated, and corresponding spy is obtained to the calculating of each characteristic root Levy vector;
According to each characteristic vector, the spectroscopic data after standardization is changed into principal component;
According to obtained principal component, the principal component curve of load is calculated;
Application point of the medicine to cell is obtained according to the analysis of the principal component curve of load.
Preferably, the spectroscopic data of described pair of acquisition is standardized, obtaining normalized matrix includes:
It regard n acquired spectroscopic data as n sample data;
Sample matrix, and standardization sample matrix array elements are constructed according to sample data, normalized matrix Z is obtained.
Preferably, set n sample data as:xi=(xi1,xi2,...,xip) T, i=1,2 ..., n;P is characterized of root Number;
Then standardization sample matrix array elements are:
Wherein, i is the line number of normalized matrix, and j is the columns of normalized matrix,
Correlation matrix R is obtained preferably, being calculated by formula below:
Preferably, the characteristic root for calculating the characteristic equation for obtaining correlation matrix, and each characteristic root is calculated Obtaining corresponding characteristic vector includes:
If the characteristic equation of correlation matrix is:
|R-λIp|=0,
Wherein, R is correlation matrix, and λ is characterized the characteristic root of equation, and p is characterized the number of root, IpFor p unit Matrix;
To each characteristic root λj, j=1,2 ..., n are calculated by equation below and are obtained corresponding characteristic vector:
Rb=λjB,
Wherein, b is characterized root λjCharacteristic vector, be designated as
Preferably, the spectroscopic data after standardization is changed into principal component by formula below:
Wherein, U1It is contribution rate highest new variables, is referred to as first principal component, U2It is the high new variables of contribution rate second, It is referred to as Second principal component, ..., Um is the new variables that contribution rate ranking is m, referred to as m principal components.
As above it is visible, in the inventive solutions, due to first being detected with spectrum to two class cells, obtain respectively The spectroscopic data of two class cells, is then standardized to the spectroscopic data of acquisition, obtains normalized matrix, and calculating obtains phase The characteristic root and characteristic vector of relation matrix number and its characteristic equation, then according to each characteristic vector, after standardization Data variable is changed into principal component, and calculates the principal component curve of load, finally can obtain medicine according to the analysis of the principal component curve of load Application point of the thing to cell.Compared with analysis method of the prior art, due to being by the light of acquisition in the method in the present invention Modal data is analyzed with statistical method, and the curve of spectrum (i.e. the principal component curve of load) of cell is analyzed, and not It is solely compare feature peak, so as to draw more accurate analysis result, it is ensured that the accuracy of analysis result, for example, The content of the DNA for obtaining cell, protein etc. can be accurately analyzed, and then accurately analyzes effect of the medicine to cell Point.Therefore, method and cell detection means traditional in the prior art in the present invention, such as flow cytometry method have Incomparable advantage.
Brief description of the drawings
Fig. 1 is flow chart of the analysis medicine in the embodiment of the present invention to the method for cytosis point.
Embodiment
For technical scheme and advantage is more clearly understood, below in conjunction with drawings and the specific embodiments, to this Invention is described in further detail.
Fig. 1 is flow chart of the analysis medicine in the embodiment of the present invention to the method for cytosis point.As shown in figure 1, this Analysis medicine in inventive embodiments includes step as described below to the method for cytosis point:
Step 101, cell is divided into two classes, first kind cell is normally cultivated, and Equations of The Second Kind cell is carried out with medicine to cell Effect.
Step 102, two class cells are detected with spectrum, the spectroscopic data of two class cells is obtained respectively.
Step 103, the spectroscopic data of acquisition is standardized, obtains normalized matrix.
In the inventive solutions, the spectroscopic data of acquisition can be standardized in several ways.Below Technical scheme will be introduced by taking a kind of specific implementation therein as an example.
For example, preferably, in one particular embodiment of the present invention, the step 103 includes:
It regard n acquired spectroscopic data as n sample data;
Sample matrix, and standardization sample matrix array elements are constructed according to sample data, normalized matrix Z is obtained.
For example, preferably, in one particular embodiment of the present invention, can set n sample data as:xi=(xi1, xi2,...,xip)T, i=1,2 ..., n;P is characterized the number of root;
Therefore, standardization sample matrix array elements are:
Wherein, i is the line number of normalized matrix, and j is the columns of normalized matrix,
Step 104, calculated according to normalized matrix and obtain correlation matrix.
For example, preferably, in one particular embodiment of the present invention, can be calculated and obtained by formula as described below Correlation matrix R:
Step 105, the characteristic root for the characteristic equation for obtaining correlation matrix is calculated, and the calculating of each characteristic root is obtained Corresponding characteristic vector.
For example, preferably, in one particular embodiment of the present invention, the feature side of the correlation matrix can be set Cheng Wei:
|R-λIp|=0
Wherein, R is correlation matrix, and λ is characterized the characteristic root of equation, and p is characterized the number of root, IpFor p unit Matrix;
To each characteristic root λj, j=1,2 ..., n are calculated by equation below and are obtained corresponding characteristic vector:
Rb=λjb
Wherein, b is characterized root λjCharacteristic vector, can be designated as
Step 106, according to each characteristic vector, the spectroscopic data after standardization is changed into principal component.
For example, preferably, in one particular embodiment of the present invention, be able to will be standardized by formula as described below Spectroscopic data afterwards is changed into principal component:
Wherein, U1It is contribution rate highest new variables, is referred to as first principal component, U2It is the high new variables of contribution rate second, It is referred to as Second principal component, ..., Um is the new variables that contribution rate ranking is m, referred to as m principal components.
Step 107, according to obtained principal component, the principal component curve of load is calculated.
Step 108, application point of the medicine to cell is obtained according to the analysis of the principal component curve of load.
In the inventive solutions, load is bigger, then illustrates that the spectrum difference of two class cells in this place is bigger, control Cell component at this corresponding to characteristic peak, then illustrate that medicine is maximum to this composition action effect of cell.Therefore, led After ingredient load curve, you can analyze the application point of medicine.
In summary, in the inventive solutions, due to first being detected with spectrum to two class cells, obtain respectively The spectroscopic data of two class cells, is then standardized to the spectroscopic data of acquisition, obtains normalized matrix, and calculating obtains phase The characteristic root and characteristic vector of relation matrix number and its characteristic equation, then according to each characteristic vector, after standardization Data variable is changed into principal component, and calculates the principal component curve of load, finally can obtain medicine according to the analysis of the principal component curve of load Application point of the thing to cell.Compared with analysis method of the prior art, due to being by the light of acquisition in the method in the present invention Modal data is analyzed with statistical method, and the curve of spectrum (i.e. the principal component curve of load) of cell is analyzed, and not It is solely compare feature peak, so as to draw more accurate analysis result, it is ensured that the accuracy of analysis result, for example, The content of the DNA for obtaining cell, protein etc. can be accurately analyzed, and then accurately analyzes effect of the medicine to cell Point.Therefore, method and cell detection means traditional in the prior art in the present invention, such as flow cytometry method have Incomparable advantage.
The foregoing is merely illustrative of the preferred embodiments of the present invention, is not intended to limit the invention, all essences in the present invention God is with principle, and any modification, equivalent substitution and improvements done etc. should be included within the scope of protection of the invention.

Claims (6)

1. a kind of method for analyzing medicine to cytosis point, it is characterised in that this method includes:
Cell is divided into two classes, first kind cell is normally cultivated, and Equations of The Second Kind cell is acted on cell with medicine;
Two class cells are detected with spectrum, the spectroscopic data of two class cells is obtained respectively;
The spectroscopic data of acquisition is standardized, normalized matrix is obtained;
Calculated according to normalized matrix and obtain correlation matrix;
Calculate obtain correlation matrix characteristic equation characteristic root, and to each characteristic root calculate obtain corresponding feature to Amount;
According to each characteristic vector, the spectroscopic data after standardization is changed into principal component;
According to obtained principal component, the principal component curve of load is calculated;
Application point of the medicine to cell is obtained according to the analysis of the principal component curve of load.
2. according to the method described in claim 1, it is characterised in that the spectroscopic data of described pair of acquisition is standardized, and is obtained Normalized matrix includes:
It regard n acquired spectroscopic data as n sample data;
Sample matrix, and standardization sample matrix array elements are constructed according to sample data, normalized matrix Z is obtained.
3. method according to claim 2, it is characterised in that:
If n sample data is:xi=(xi1,xi2,...,xip)T, i=1,2 ..., n;P is characterized the number of root;
Then standardization sample matrix array elements are:
Wherein, i is the line number of normalized matrix, and j is the columns of normalized matrix,
4. method according to claim 3, it is characterised in that calculated by formula below and obtain correlation matrix R:
5. method according to claim 4, it is characterised in that the calculating obtains the characteristic equation of correlation matrix Characteristic root, and each characteristic root is calculated obtain corresponding characteristic vector and include:
If the characteristic equation of correlation matrix is:
|R-λIp|=0,
Wherein, R is correlation matrix, and λ is characterized the characteristic root of equation, and p is characterized the number of root, IpFor p unit matrix;
To each characteristic root λj, j=1,2 ..., n are calculated by equation below and are obtained corresponding characteristic vector:
Rb=λjB,
Wherein, b is characterized root λjCharacteristic vector, be designated as
6. method according to claim 5, it is characterised in that turned the spectroscopic data after standardization by formula below It is changed into principal component:
Wherein, U1It is contribution rate highest new variables, is referred to as first principal component, U2It is the high new variables of contribution rate second, is claimed For Second principal component, ..., Um is the new variables that contribution rate ranking is m, referred to as m principal components.
CN201710395663.1A 2017-05-27 2017-05-27 A kind of method for analyzing medicine to cytosis point Pending CN107024436A (en)

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US20020155509A1 (en) * 1997-06-20 2002-10-24 Ciphergen Biosystems, Inc. Retentate chromatography and protein chip arrays with applications in biology
CN104834938A (en) * 2015-04-30 2015-08-12 北京环境特性研究所 Hyper-spectral information extraction method based on main component and cluster analysis
CN106056543A (en) * 2016-05-19 2016-10-26 北京环境特性研究所 High spectral image enhancement method based on principal component analysis method
CN106370718A (en) * 2016-12-08 2017-02-01 中国食品药品检定研究院 Rapid measurement method of drug dissolution rate
CN106405067A (en) * 2016-08-31 2017-02-15 徐州医科大学 Whole cell-based detection method of residence time of medicinal target point

Patent Citations (6)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US20020155509A1 (en) * 1997-06-20 2002-10-24 Ciphergen Biosystems, Inc. Retentate chromatography and protein chip arrays with applications in biology
US6428956B1 (en) * 1998-03-02 2002-08-06 Isis Pharmaceuticals, Inc. Mass spectrometric methods for biomolecular screening
CN104834938A (en) * 2015-04-30 2015-08-12 北京环境特性研究所 Hyper-spectral information extraction method based on main component and cluster analysis
CN106056543A (en) * 2016-05-19 2016-10-26 北京环境特性研究所 High spectral image enhancement method based on principal component analysis method
CN106405067A (en) * 2016-08-31 2017-02-15 徐州医科大学 Whole cell-based detection method of residence time of medicinal target point
CN106370718A (en) * 2016-12-08 2017-02-01 中国食品药品检定研究院 Rapid measurement method of drug dissolution rate

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Title
蔡长美: "白血病细胞拉曼光谱研究", 《中国优秀硕士学位论文全文数据库 医药卫生科技辑》 *

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Application publication date: 20170808