CN108318446A - It is a kind of detection the total content of vitamin E of peanut seed near-infrared spectroscopy and application - Google Patents
It is a kind of detection the total content of vitamin E of peanut seed near-infrared spectroscopy and application Download PDFInfo
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- CN108318446A CN108318446A CN201810332458.5A CN201810332458A CN108318446A CN 108318446 A CN108318446 A CN 108318446A CN 201810332458 A CN201810332458 A CN 201810332458A CN 108318446 A CN108318446 A CN 108318446A
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- GVJHHUAWPYXKBD-UHFFFAOYSA-N (±)-α-Tocopherol Chemical compound OC1=C(C)C(C)=C2OC(CCCC(C)CCCC(C)CCCC(C)C)(C)CCC2=C1C GVJHHUAWPYXKBD-UHFFFAOYSA-N 0.000 title claims abstract description 104
- 235000010777 Arachis hypogaea Nutrition 0.000 title claims abstract description 74
- 235000020232 peanut Nutrition 0.000 title claims abstract description 74
- 235000017060 Arachis glabrata Nutrition 0.000 title claims abstract description 73
- 235000018262 Arachis monticola Nutrition 0.000 title claims abstract description 73
- WIGCFUFOHFEKBI-UHFFFAOYSA-N gamma-tocopherol Natural products CC(C)CCCC(C)CCCC(C)CCCC1CCC2C(C)C(O)C(C)C(C)C2O1 WIGCFUFOHFEKBI-UHFFFAOYSA-N 0.000 title claims abstract description 53
- 229930003427 Vitamin E Natural products 0.000 title claims abstract description 52
- 239000011709 vitamin E Substances 0.000 title claims abstract description 52
- 235000019165 vitamin E Nutrition 0.000 title claims abstract description 52
- 229940046009 vitamin E Drugs 0.000 title claims abstract description 52
- 238000004497 NIR spectroscopy Methods 0.000 title claims abstract description 18
- 238000001514 detection method Methods 0.000 title claims abstract description 16
- 241001553178 Arachis glabrata Species 0.000 title claims abstract 26
- 238000000034 method Methods 0.000 claims abstract description 17
- 239000000126 substance Substances 0.000 claims abstract description 16
- 238000002329 infrared spectrum Methods 0.000 claims abstract description 15
- 238000001228 spectrum Methods 0.000 claims abstract description 15
- 230000003595 spectral effect Effects 0.000 claims abstract description 11
- 238000005457 optimization Methods 0.000 claims abstract description 6
- 238000002790 cross-validation Methods 0.000 claims abstract description 4
- 238000005259 measurement Methods 0.000 claims abstract description 4
- 230000002159 abnormal effect Effects 0.000 claims abstract description 3
- 230000008030 elimination Effects 0.000 claims abstract description 3
- 238000003379 elimination reaction Methods 0.000 claims abstract description 3
- 238000012937 correction Methods 0.000 claims description 2
- 238000001035 drying Methods 0.000 claims description 2
- 230000000694 effects Effects 0.000 abstract description 7
- 238000012360 testing method Methods 0.000 abstract description 5
- 238000010276 construction Methods 0.000 abstract description 3
- 238000004128 high performance liquid chromatography Methods 0.000 abstract description 3
- 238000007605 air drying Methods 0.000 abstract description 2
- 238000012545 processing Methods 0.000 abstract description 2
- 238000004445 quantitative analysis Methods 0.000 abstract description 2
- 238000013459 approach Methods 0.000 abstract 1
- 238000007689 inspection Methods 0.000 abstract 1
- 244000105624 Arachis hypogaea Species 0.000 description 49
- 238000005516 engineering process Methods 0.000 description 4
- 239000000463 material Substances 0.000 description 4
- 238000011161 development Methods 0.000 description 2
- 239000003921 oil Substances 0.000 description 2
- 238000004611 spectroscopical analysis Methods 0.000 description 2
- 238000012795 verification Methods 0.000 description 2
- 229940088594 vitamin Drugs 0.000 description 2
- 229930003231 vitamin Natural products 0.000 description 2
- 235000013343 vitamin Nutrition 0.000 description 2
- 239000011782 vitamin Substances 0.000 description 2
- 150000003722 vitamin derivatives Chemical class 0.000 description 2
- GVJHHUAWPYXKBD-IEOSBIPESA-N α-tocopherol Chemical compound OC1=C(C)C(C)=C2O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CCC2=C1C GVJHHUAWPYXKBD-IEOSBIPESA-N 0.000 description 2
- WRIDQFICGBMAFQ-UHFFFAOYSA-N (E)-8-Octadecenoic acid Natural products CCCCCCCCCC=CCCCCCCC(O)=O WRIDQFICGBMAFQ-UHFFFAOYSA-N 0.000 description 1
- LQJBNNIYVWPHFW-UHFFFAOYSA-N 20:1omega9c fatty acid Natural products CCCCCCCCCCC=CCCCCCCCC(O)=O LQJBNNIYVWPHFW-UHFFFAOYSA-N 0.000 description 1
- QSBYPNXLFMSGKH-UHFFFAOYSA-N 9-Heptadecensaeure Natural products CCCCCCCC=CCCCCCCCC(O)=O QSBYPNXLFMSGKH-UHFFFAOYSA-N 0.000 description 1
- 235000003276 Apios tuberosa Nutrition 0.000 description 1
- 235000010744 Arachis villosulicarpa Nutrition 0.000 description 1
- 206010028980 Neoplasm Diseases 0.000 description 1
- ZQPPMHVWECSIRJ-UHFFFAOYSA-N Oleic acid Natural products CCCCCCCCC=CCCCCCCCC(O)=O ZQPPMHVWECSIRJ-UHFFFAOYSA-N 0.000 description 1
- 239000005642 Oleic acid Substances 0.000 description 1
- 238000002835 absorbance Methods 0.000 description 1
- 229940087168 alpha tocopherol Drugs 0.000 description 1
- 230000002547 anomalous effect Effects 0.000 description 1
- 230000003712 anti-aging effect Effects 0.000 description 1
- 238000003556 assay Methods 0.000 description 1
- 230000009286 beneficial effect Effects 0.000 description 1
- 238000009395 breeding Methods 0.000 description 1
- 230000001488 breeding effect Effects 0.000 description 1
- 201000011510 cancer Diseases 0.000 description 1
- 235000019621 digestibility Nutrition 0.000 description 1
- 235000010382 gamma-tocopherol Nutrition 0.000 description 1
- 238000004817 gas chromatography Methods 0.000 description 1
- 230000002068 genetic effect Effects 0.000 description 1
- 230000036039 immunity Effects 0.000 description 1
- QXJSBBXBKPUZAA-UHFFFAOYSA-N isooleic acid Natural products CCCCCCCC=CCCCCCCCCC(O)=O QXJSBBXBKPUZAA-UHFFFAOYSA-N 0.000 description 1
- 238000004519 manufacturing process Methods 0.000 description 1
- 238000012986 modification Methods 0.000 description 1
- 230000004048 modification Effects 0.000 description 1
- ZQPPMHVWECSIRJ-KTKRTIGZSA-N oleic acid Chemical compound CCCCCCCC\C=C/CCCCCCCC(O)=O ZQPPMHVWECSIRJ-KTKRTIGZSA-N 0.000 description 1
- 239000010773 plant oil Substances 0.000 description 1
- 238000002203 pretreatment Methods 0.000 description 1
- 102000004169 proteins and genes Human genes 0.000 description 1
- 108090000623 proteins and genes Proteins 0.000 description 1
- 238000007634 remodeling Methods 0.000 description 1
- 238000011160 research Methods 0.000 description 1
- 241000894007 species Species 0.000 description 1
- 238000012353 t test Methods 0.000 description 1
- 229960000984 tocofersolan Drugs 0.000 description 1
- 239000002076 α-tocopherol Substances 0.000 description 1
- 235000004835 α-tocopherol Nutrition 0.000 description 1
- 239000002478 γ-tocopherol Substances 0.000 description 1
- QUEDXNHFTDJVIY-DQCZWYHMSA-N γ-tocopherol Chemical compound OC1=C(C)C(C)=C2O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CCC2=C1 QUEDXNHFTDJVIY-DQCZWYHMSA-N 0.000 description 1
Classifications
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- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
- G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
- G01N21/25—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
- G01N21/31—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
- G01N21/35—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light
- G01N21/359—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light using near infrared light
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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 Materials By Optical Means (AREA)
Abstract
The invention discloses a kind of near-infrared spectroscopy of the detection total content of vitamin E of peanut seed, the construction method of the model and using the method for the model inspection peanut seed, belong to peanut processing product quality quick test technique field.Near-infrared spectroscopy of the present invention is to be fitted spectral manipulation by the near infrared spectrum data of collection sample and using the HPLC chemical scores measured, and Partial Least Squares optimization is used in combination to establish model；Cross-validation abnormal value elimination is used repeatedly, best Pretreated spectra method, optimized spectrum area, dimension is selected, by comparing the coefficient of determination (R of model2) and root mean square deviation (RMSECV) measurement model quality, construct the Near-Infrared Quantitative Analysis model of high quality.The total content of vitamin E near-infrared model R of peanut seed of natural air drying constructed by the present invention2Higher, RMSECV is smaller, and prediction effect is preferable, and new selection approach is provided to cultivate homovitamin E peanut varieties.
Description
Technical field
The invention belongs to peanut processing product quality quick test technique fields, and in particular to a kind of total vitamin of detection peanut seed
The near-infrared spectroscopy of E contents and application.
Background technology
Peanut is the important sources of main oil crops and quality plant oil and high digestibility protein in the world.
Vitamin E is a kind of natural, is the important liposoluble vitamin of body, has strengthen immunity, anti-aging, drop
The effect of low angiocardiopathy and cancer morbidity.Contain vitamin E in peanut, studies have found that the flower that blue Na type kind is squeezed
Oil generation stability is stronger, thus it is speculated that reason is that it contains more vitamin E.Content of vitamin E in peanut seed is improved, not only
It is closely bound up with health, and might have the shelf life for helping extend (Groundnut products).
Traditional assay method of vitamin E includes fluorescent spectrometry, high performance liquid chromatography, blocks method, gas chromatography
Deng, of high cost, time-consuming, have certain destructiveness, this also hinders the development of peanut homovitamin E breedings to a certain extent,
And near infrared technology have many advantages, such as it is at low cost, lossless, quick.Near infrared technology has been applied to the quality-improving of various crop,
The near-infrared model of energy Accurate Prediction oleic acid, fat, protein content, but similar peanut dimension life have been successfully established on peanut
Plain E contents near-infrared model has not been reported so far.
Invention content
Purpose of the present invention is to utilize near infrared spectrometer, accurate quantitative analysis is carried out to the total content of vitamin E of peanut seed.It is wherein described
The total content of vitamin E of peanut seed refers to the sum of alpha-tocopherol, Gamma-Tocopherol and-methyltocol content.
In order to achieve the above object, the technical scheme is that：
A kind of near-infrared spectroscopy of the detection total content of vitamin E of peanut seed, it is built-up by following methods：
(1) peanut sample of different cultivars, solar drying are collected；
(2) near infrared ray is carried out to above-mentioned peanut sample, collects near infrared light spectrum information；
(3) the total content of vitamin E for detecting all peanut samples, obtains the chemical score of total content of vitamin E；
(4) near infrared spectrum data acquired in the chemical score of total content of vitamin E and (2) is fitted at spectrum
Reason establishes model with Partial Least Squares optimization, uses cross-validation abnormal value elimination repeatedly, by comparing determining for model
Determine coefficient (R2) and root mean square deviation (RMSECV) measurement model quality, screen best model；
(5) accuracy of model is verified.
On the basis of said program, the near infrared spectrum scanning parameter is：Scanning Spectral range 4000~
12000cm-1(centimetre wave number), scanning times 64 times, resolution ratio 8cm-1。
On the basis of said program, the peanut sample is：
On the basis of said program, the chemical score of the total content of vitamin E of peanut sample is with predicted value：
On the basis of said program, the optimal spectrum preprocess method of the model is that " first derivative+polynary scattering is rectified
Just ", Spectral range is 7506~6094.3cm-1, 5454~4242.8cm-1, dimension 8, the R of model2It is 88.34, RMSECV
It is 0.423.
On the basis of said program, the near infrared spectrum scanning, each sample 30-50, multiple scanning 3 times, and
And peanut is poured out when scanning for the second time and for the third time and is reloaded in specimen cup, to obtain multiple near-infrareds of same sample
Spectrum.
The near-infrared spectroscopy of the above-mentioned total content of vitamin E of detection peanut seed is in the total content of vitamin E of peanut seed
Application in detection.
A method of the detection total content of vitamin E of peanut seed, steps are as follows：
(1) peanut sample to be measured is fitted into circular sample cup；
(2) sample is scanned one by one, near infrared spectrum scanning parameter is：Scan 4000~12000cm of Spectral range-1
(centimetre wave number), scanning times 64 times, resolution ratio 8cm-1；
(3) (2) collected peanut seed near infrared spectrum data to be measured above-mentioned near-infrared spectroscopy is imported to obtain
The total content of vitamin E of peanut.
Beneficial effects of the present invention：
The near-infrared spectroscopy of the detection total content of vitamin E of peanut seed provided by the invention, can quickly, it is accurate,
The content of total vitamin E in lossless detection peanut, and it is easy to operate, accuracy is high, which is checked using wild-type peanut sample
The prediction effect of type is found：Total content of vitamin E deviation is -0.59~0.76mg/100g.To predicted value and chemical score carry out at
Data t is test, two groups of data mean value differences are 0.101, degree of freedom 5, and t values are 0.545<t0.05=2.571, two groups of data differences
It is different not notable.
The total content of vitamin E near-infrared model R of peanut seed of natural air drying constructed by the present invention2It is higher, RMSECV
Smaller, prediction effect is preferable, naturally and induced mutant for identification homovitamin E peanuts, the research total content of vitamin E of peanut
Genetic development, hybrid vigour and coordinate force, and cultivate homovitamin E peanut varieties and provide new technological means.
Near-infrared spectroscopy data used when depending on establishing model to the prediction effect of sample.Moreover, establishing close
Infrared spectrum model is not that the sample number that uses is The more the better, introduced dry in model with the increase of modeling sample number
Disturbing factor and anomalous differences will increase, and excessive interference information can cover useful information, reduce model performance.The present invention selects
Peanut sample size it is suitable, the compatible degree between different cultivars is preferable, and the constructed total vitamin E of model prediction peanut seed contains
It is small to measure error, accuracy is high.
Description of the drawings
The infrared diaphanoscopy spectrogram of Fig. 1 peanut samples, wherein abscissa represent centimetre wave number (cm-1), ordinate represents
Absorbance；
The near-infrared predicted value of the total content of vitamin E of Fig. 2 and chemical score scatter plot, wherein abscissa represent chemical score, indulge
Coordinate represents predicted value.
Specific implementation mode
Term as used in the present invention generally has those of ordinary skill in the art usual unless otherwise specified
The meaning of understanding.
With reference to specific embodiment, and with reference to the data further detailed description present invention.Following embodiment only be
It illustrates the present invention, rather than limits the scope of the invention in any way.
Embodiment
Illustrate by taking the MATRIX-I type near infrared spectrometers of German Brooker company production as an example below, but the patent scope of application
Also include the similar products of other manufacturers.
1. materials and methods
1.1 material
The test material used in total vitamin E model is built, is to amount to 42 parts from peanut varieties both domestic and external (being),
As shown in table 1.
Table 1 builds peanut seed sample used in peanut content of vitamin E near-infrared model
1.2 method
1.2.1 spectra collection
The I type Fourier transforms of Matrix- that modeling spectroscopic data used is produced in German Brooker spectral instrument company
It is acquired near infrared spectrometer.Scanning spectrum area ranging from 4000~12000cm-1(centimetre wave number), scanning times 64 times, resolution ratio
For 8cm-1.Sample is detected after booting preheating 30min.The sample that peanut seed is dried for natural daylight used in acquisition spectrum, every part
Material about 30-50, multiple scanning 3 times.The results are shown in Figure 1 for the near infrared spectrum scanning of peanut sample.
1.2.2 total content of vitamin E measures
Total content of vitamin E in 42 parts of Ecological Property of Peanut Seeds samples is measured using HPLC methods, sample chemical value relevant parameter is shown in
Table 2.Total content of vitamin E mean value is 10.97mg/100g, and maximum, minimum value is respectively 17.10mg/100g, 8.21mg/
100g.Show that the modeling total content of vitamin E luffing of peanut sample is fine, can be used for near-infrared spectroscopy structure.
The total content of vitamin E chemical score pertinent statistical parameters of 2 peanut seed of table
1.2.3 model construction and optimization
Spectral manipulation and model construction use 5.5 softwares of OPUS of German I type near infrared spectrometers of Brooker Matrix-,
It is optimized with NIR options.Model is established with Partial Least Squares (PLS methods) optimization, is rejected using cross-validation unusual
It is worth (outlier).Optimal spectrum pretreatment method, optimized spectrum area, dimension are selected, and makees further verification.By comparing model
The coefficient of determination (R2) and root mean square deviation (RMSECV) measurement model quality.The chemical score of each sample peanut and predicted value such as table 3
It is shown.
The chemical score and predicted value of the 3 total content of vitamin E of each sample peanut of table
By optimization, the optimal spectrum preprocess method of the total content of vitamin E of peanut seed is " first derivative+polynary scattered
Penetrate correction ".Spectral range is 7506~6094.3cm-1, 5454~4242.8cm-1, dimension 8, the R of model2It is 88.34,
RMSECV is 0.423 (Fig. 2).
1.2.4 the verification of model
Another to take 6 especially portion's peanut sample (being wild species sample), testing model prediction effect, the results are shown in Table 4.Always
Content of vitamin E deviation is -0.59~0.76mg/100g.Paired data t tests, two groups of numbers are carried out to chemical score and predicted value
It is 0.101 according to equal value difference, degree of freedom 5, t values are 0.545<t0.05=2.571, two groups of data differences are not notable.Although wild
Kind sample has neither part nor lot in modeling, and larger with the sub- benevolence size difference of cultigen peanut, also achieves preferable prediction effect.
The total content of vitamin E chemical score of 4 peanut seed sample of table is compared with predicted value
The above described is only a preferred embodiment of the present invention, being not that the invention has other forms of limitations, appoint
What those skilled in the art changed or be modified as possibly also with the technology contents of the disclosure above equivalent variations etc.
Imitate embodiment.But it is every without departing from technical solution of the present invention content, according to the technical essence of the invention to above example institute
Any simple modification, equivalent variations and the remodeling made, still fall within the protection domain of technical solution of the present invention.
Claims (8)
1. a kind of near-infrared spectroscopy of the detection total content of vitamin E of peanut seed, it is characterised in that：It is built by following methods
It forms：
(1) peanut sample of different cultivars, solar drying are collected；
(2) near infrared ray is carried out to above-mentioned peanut sample, collects near infrared light spectrum information；
(3) the total content of vitamin E for detecting all peanut samples, obtains the chemical score of total content of vitamin E；
(4) spectral manipulation is fitted to the near infrared spectrum data acquired in the chemical score of total content of vitamin E and (2), used
Model is established in Partial Least Squares optimization, cross-validation abnormal value elimination is used repeatedly, by comparing the decision system of model
Number (R2) and root mean square deviation (RMSECV) measurement model quality, screen best model；
(5) accuracy of model is verified.
2. detecting the near-infrared spectroscopy of the total content of vitamin E of peanut seed according to claim 1, it is characterised in that：
The near infrared spectrum scanning parameter is：Scan 4000~12000cm of Spectral range-1(centimetre wave number), scanning times 64
It is secondary, resolution ratio 8cm-1。
3. the near-infrared spectroscopy of the detection total content of vitamin E of peanut seed according to claim 1 or claim 2, feature exist
In：
The peanut sample is：
The chemical score of the total content of vitamin E of peanut sample is with predicted value：
4. detecting the near-infrared spectroscopy of the total content of vitamin E of peanut seed according to claim 3, it is characterised in that：
The optimal spectrum preprocess method of the model be " first derivative+polynary scatter correction ", Spectral range be 7506~
6094.3cm-1, 5454~4242.8cm-1, dimension 8, the R of model2For 88.34, RMSECV 0.423.
5. according to the near-infrared spectroscopy of any one of Claims 1 to 4 detection total content of vitamin E of peanut seed,
It is characterized in that：The near infrared spectrum scanning, each sample 30-50, multiple scanning 3 times, and second is swept with third time
Peanut is poured out when retouching and is reloaded in specimen cup, to obtain multiple near infrared spectrums of same sample.
6. the near-infrared spectroscopy of any one of Claims 1 to 5 detection total content of vitamin E of peanut seed is in peanut kind
Application in sub total content of vitamin E detection.
7. a kind of method of the detection total content of vitamin E of peanut seed, it is characterised in that：Obtain peanut sample near infrared light to be measured
Modal data, and near infrared spectrum data is imported into any one of the Claims 1 to 5 near-infrared spectroscopy and show that peanut is always tieed up
Raw element E contents.
8. the method for detecting the total content of vitamin E of peanut seed according to claim 7, it is characterised in that：Steps are as follows：
(1) peanut sample to be measured is fitted into circular rotating specimen cup；
(2) sample is scanned one by one, near infrared spectrum scanning parameter is：Scan 4000~12000cm of Spectral range-1(li
Metric wave number), scanning times 64 times, resolution ratio 8cm-1；
(3) any one of (2) collected peanut seed near infrared spectrum data importing Claims 1 to 5 to be measured is described close red
External spectrum model obtains the total content of vitamin E of peanut.
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| CN113390823A (en) * | 2021-06-29 | 2021-09-14 | 青岛新嘉生物技术有限公司 | Near-infrared rapid prediction method for vitamin premix |
| CN114935548A (en) * | 2022-07-20 | 2022-08-23 | 联桥网云信息科技（长沙）有限公司 | One-time operation detection method for detecting multiple types of indexes of oil sample |
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| CN113390823A (en) * | 2021-06-29 | 2021-09-14 | 青岛新嘉生物技术有限公司 | Near-infrared rapid prediction method for vitamin premix |
| CN114935548A (en) * | 2022-07-20 | 2022-08-23 | 联桥网云信息科技（长沙）有限公司 | One-time operation detection method for detecting multiple types of indexes of oil sample |
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Application publication date: 20180724 |