CN107024448A - The other near-infrared spectral analytical method of mammalian is differentiated based on saliva - Google Patents

The other near-infrared spectral analytical method of mammalian is differentiated based on saliva Download PDF

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Publication number
CN107024448A
CN107024448A CN201610637980.5A CN201610637980A CN107024448A CN 107024448 A CN107024448 A CN 107024448A CN 201610637980 A CN201610637980 A CN 201610637980A CN 107024448 A CN107024448 A CN 107024448A
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saliva
mammalian
mammal
sex
saliva sample
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CN107024448B (en
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范琦
谢欠
吴阮琦
李诗倩
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Chongqing Medical University
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Chongqing Medical University
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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
    • G01N21/31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
    • G01N21/35Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light
    • G01N21/359Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light using near infrared light
    • 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
    • G01N21/31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
    • G01N21/35Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light
    • G01N21/3577Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light for analysing liquids, e.g. polluted water

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

Abstract

The invention discloses differentiate the other near-infrared spectral analytical method of mammalian based on saliva, first collect the buck saliva sample and jenny saliva sample of same mammal, the near infrared spectrum of saliva sample obtained by collection under certain measuring condition, gained spectrum is without pre-processing or carrying out Chemical Measurement pretreatment, the selection modeling spectral region from gained spectroscopic data, data to selected spectral region are carried out after dimensionality reduction, and the Sex Discrimination model of this kind of mammal is set up and verified using chemometrics method;The saliva sample of unknown this kind of mammal of sex is taken again, is gathered spectrum according to method same as before and is carried out the multi-step processing of spectroscopic data, the Sex Discrimination of this kind of mammal is finally carried out using institute's established model.The near infrared spectrum based on saliva of the invention, with reference to chemometric techniques, differentiates the sex of mammal, has the advantages that analysis method is accurate and easy to use, tested body compliance is good.

Description

The other near-infrared spectral analytical method of mammalian is differentiated based on saliva
Technical field
The invention belongs to near-infrared spectral analysis technology field, it is related to a kind of other near based on saliva differentiation mammalian Infrared spectrum analysis.
Background technology
Gender research is one of important content of biology.Mammal is the highest stage of animal development, in lactation In the ecomanagement of animal, Sex Discrimination is a groundwork of Analysis On Population Dynamics.The mankind are five-star mammals, The Sex Discrimination of human body is the important content of identification, is had in fields such as personalized service, medical treatment and management of public safetys There is important meaning.It is a kind of classical human body Sex Discrimination method to have a medical check-up, but since it is desired that special inspection place and specific Inspection personnel make this method that there is certain limitation.
The content of the invention
The other near-infrared spectral analytical method of mammalian is differentiated based on saliva it is an object of the invention to provide one kind, Have the advantages that analysis method is accurate and easy to use, tested body compliance is good.
Through research, the present invention provides following technical scheme:
The other near-infrared spectral analytical method of mammalian is differentiated based on hair, comprised the following steps:
(1) the buck saliva sample and jenny saliva sample of same mammal are collected;
(2) resolution ratio and scanning times of near infrared spectrometer are set, in 10000~4000cm-1In scanning range respectively The near infrared spectrum of saliva sample obtained by acquisition step (1);
(3) to spectrum obtained by step (2), without pre-processing or carrying out Chemical Measurement pretreatment;
(4) the selection modeling spectral region in spectroscopic data obtained by step (3);
(5) data to spectral region selected by step (4) carry out dimensionality reduction;
(6) to step (5) the data obtained, set up using chemometrics method and verify that the sex of this kind of mammal is sentenced Other model;
(7) saliva sample of unknown this kind of mammal of sex is taken, near infrared light is gathered according to step (2) methods described Spectrum, the multi-step for carrying out spectrum according to step (3)~(5) methods described is handled, and then applying step (6) institute established model is fed The Sex Discrimination of newborn animal.
Differentiate mammal sex when, using the saliva of mammal as sample, with sampling non-invasi, can Repeated, easily handling advantage.
It is preferred that, in step (2), the resolution ratio of near infrared spectrometer is set to 2cm-1、4cm-1、8cm-1Or 16cm-1, sweep Retouch number of times be set to 32,64 or 128 times.
It is preferred that, in step (3), Chemical Measurement preprocess method is multicomponent signal amendment, standard contact transformation, derivative Combined with the one or more in smooth.
It is 10000~4000cm that spectral region is modeled described in step (4)-1In one or more snippets, can be by modeling software Automatic screening or artificial screening, also can be on the basis of modeling software automatic screening according to the near-infrared characteristic absorption of analyte Further artificial optimization.
It is preferred that, in step (5), dimensionality reduction is carried out to the data of spectral region selected by step (4) using PCA.
It is preferred that, model the selection gist of number of principal components and be more than 85% and step (6) institute for its accumulative variance contribution ratio The calibration set right judging rate and checking collection right judging rate for building discrimination model are all higher than 95%.
It is preferred that, in step (6), Chemical Measurement modeling method is techniques of discriminant analysis.
It is preferred that, in step (6), the performance for building discrimination model is commented by calibration set right judging rate and checking collection right judging rate Valency.
It is preferred that, the mammal is the mankind.
It is preferred that, the near-infrared spectral analytical method of human body sex is differentiated based on saliva, is comprised the following steps:
(1) saliva sample of male body and the saliva sample of female body are collected;
(2) resolution ratio for setting near infrared spectrometer is 8cm-1, scanning times be 64 times, in 10000~4000cm-1Sweep The NIR transmittance spectroscopy of saliva sample obtained by acquisition step (1) is distinguished in the range of retouching;
(3) to spectrum obtained by step (2) without pretreatment;
(4) 9881~4119cm is selected in spectroscopic data obtained by step (3)-1For modeling spectral region;
(5) dimensionality reduction is carried out to the data of spectral region selected by step (4) using PCA;
(6) to step (5) the data obtained, set up as 10, using techniques of discriminant analysis to model number of principal components and verify human body Sex Discrimination model, with calibration set right judging rate and checking collect right judging rate evaluation model performance;
(7) saliva sample of unknown sex human body is taken, NIR transmittance spectroscopy is gathered according to step (2) methods described, presses The multi-step processing of spectrum is carried out according to step (3)~(5) methods described, then applying step (6) institute established model carries out human body Sex Discrimination.
The beneficial effects of the present invention are:Near infrared spectrum of the invention based on saliva, with reference to chemometric techniques, sentences The sex of other mammal, has the advantages that analysis method is accurate and easy to use, tested body compliance is good.
Brief description of the drawings
Fig. 1 is the near-infrared transmission primary light spectrogram of 5 human body saliva samples.
Fig. 2 builds the differentiation figure of human body Sex Discrimination model for the present invention.
Embodiment
In order that the object, technical solutions and advantages of the present invention are clearer, below in conjunction with the accompanying drawings to the preferred of the present invention Embodiment is described in detail.
Embodiment 1 is based on saliva and differentiates human body sex
1. the collection and processing of saliva sample
Collect respectively 2 males and 3 women from totally 5 trial volunteer's mornings under rest state active secretion saliva sample Product, number and record gender information one by one.Saliva sample centrifuges 10min with 3000rpm..
2. the collection of NIR transmittance spectroscopy
Instrument:Antaris II ft-nir spectrometers (Thermo companies of the U.S.), equipped with integrating sphere accessory, Signal acquisition software is Result 3.0.
Spectral measurement condition:Resolution ratio is 8cm-1, scanning times are 64 times, and scanning range is 10000~4000cm-1
Spectral measurement method:Take the saliva sample of same numbering appropriate, in the cuvette for being placed in a clean dried, upper State the NIR transmittance spectroscopy that spectral measurement condition determines saliva sample.Each sample repeats to load and measure 6 times.Each sample Using the scanning of identical measuring condition and background correction before measurement.
30 near-infrared transmission original spectrums of 5 human body saliva samples are as shown in Figure 1.
3. model the selection of spectral region
Original spectral data not after pretreatment, the modeling spectral region chosen automatically through the softwares of TQ Analyst 8.0 For 9881~4119cm-1
4. the dimensionality reduction of spectroscopic data
Using the softwares of TQ Analyst 8.0, using PCA selected modeling spectral region 9881~ 4119cm-1It is interior that dimensionality reduction is carried out to pretreated spectroscopic data, when selected modeling number of principal components is 10, its accumulative variance contribution ratio For 99.8%, and the calibration set of institute's established model and the right judging rate of checking collection are 100.0%.
5. the foundation and checking of discrimination model
Using the saliva sample of 1 collected male and 2 women totally 3 trial volunteers as calibration set sample, its The saliva sample of 1 male and 1 women totally 2 trial volunteers of remaininging as checking collects sample.Use above calibration set respectively Sample and checking collection sample, to model number of principal components as 10, set up and verify the Sex Discrimination mould of human body using techniques of discriminant analysis Type.As a result as shown in Fig. 2 the calibration set right judging rate of built discrimination model is 100.0%, checking collection right judging rate is 100.0%, table Bright institute's established model has good differentiation performance, and saliva sample can be used to differentiate human body sex exactly.
6. the analysis of unknown sex human saliva sample
Unknown 1, sex human saliva sample is taken, the near-infrared according to above-mentioned same procedure processing sample, collection sample is saturating Penetrate spectrum, multi-step processing is carried out to spectrum, the human body Sex Discrimination of the saliva sample is then carried out using institute's established model, as a result It is women correctly to show it.
Finally illustrate, the above embodiments are merely illustrative of the technical solutions of the present invention and it is unrestricted, although pass through ginseng According to the preferred embodiments of the present invention, invention has been described, it is to be understood by those skilled in the art that can be in shape Various changes are made in formula and to it in details, the protection of the invention limited without departing from appended claims Scope.

Claims (9)

1. the other near-infrared spectral analytical method of mammalian is differentiated based on saliva, it is characterised in that comprise the following steps:
(1) the buck saliva sample and jenny saliva sample of same mammal are collected;
(2) resolution ratio and scanning times of near infrared spectrometer are set, in 10000~4000cm-1Gathered respectively in scanning range The near infrared spectrum of saliva sample obtained by step (1);
(3) to spectrum obtained by step (2), without pre-processing or carrying out Chemical Measurement pretreatment;
(4) the selection modeling spectral region in spectroscopic data obtained by step (3);
(5) data to spectral region selected by step (4) carry out dimensionality reduction;
(6) to step (5) the data obtained, the Sex Discrimination mould of this kind of mammal is set up and verified using chemometrics method Type;
(7) saliva sample of unknown this kind of mammal of sex is taken, near infrared spectrum is gathered according to step (2) methods described, presses The multi-step processing of spectrum is carried out according to step (3)~(5) methods described, then applying step (6) institute established model progress lactation is moved The Sex Discrimination of thing.
2. according to claim 1 differentiate the other near-infrared spectral analytical method of mammalian, its feature based on saliva It is:In the step (2), the resolution ratio of near infrared spectrometer is set to 2cm-1、4cm-1、8cm-1Or 16cm-1, scanning times Be set to 32,64 or 128 times.
3. according to claim 1 differentiate the other near-infrared spectral analytical method of mammalian, its feature based on saliva It is:In the step (3), the method for Chemical Measurement pretreatment is multicomponent signal amendment, standard contact transformation, derivative peace One or more combinations in cunning.
4. according to claim 1 differentiate the other near-infrared spectral analytical method of mammalian, its feature based on saliva It is:In the step (5), dimensionality reduction is carried out to the data of spectral region selected by step (4) using PCA.
5. according to claim 1 differentiate the other near-infrared spectral analytical method of mammalian, its feature based on saliva It is:Accumulative variance contribution ratio is more than 85% and step (6) is built discrimination model by it for the selection gist of modeling number of principal components Calibration set right judging rate and checking collection right judging rate be all higher than 95%.
6. according to claim 1 differentiate the other near-infrared spectral analytical method of mammalian, its feature based on saliva It is:In the step (6), Chemical Measurement modeling method is techniques of discriminant analysis.
7. according to claim 1 differentiate the other near-infrared spectral analytical method of mammalian, its feature based on saliva It is:In the step (6), the performance for building discrimination model is evaluated with calibration set right judging rate and checking collection right judging rate.
8. the other near-infrared spectrum analysis side of mammalian is differentiated based on saliva according to any one of claim 1 to 7 Method, it is characterised in that:The mammal is the mankind.
9. according to claim 9 differentiate the other near-infrared spectral analytical method of mammalian, its feature based on saliva It is, comprises the following steps:
(1) saliva sample of male body and the saliva sample of female body are collected;
(2) resolution ratio for setting near infrared spectrometer is 8cm-1, scanning times be 64 times, in 10000~4000cm-1Scanning range The NIR transmittance spectroscopy of interior saliva sample obtained by acquisition step (1) respectively;
(3) to spectrum obtained by step (2) without pretreatment;
(4) 9881~4119cm is selected in spectroscopic data obtained by step (3)-1For modeling spectral region;
(5) dimensionality reduction is carried out to the data of spectral region selected by step (4) using PCA;
(6) to step (5) the data obtained, the property of human body is set up and verified as 10, using techniques of discriminant analysis to model number of principal components Other discrimination model, the performance of right judging rate evaluation model is collected with calibration set right judging rate and checking;
(7) saliva sample of unknown sex human body is taken, NIR transmittance spectroscopy is gathered according to step (2) methods described, according to step Suddenly (3)~(5) methods described carries out the multi-step processing of spectrum, and then applying step (6) institute established model carries out the sex of human body Differentiate.
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