CN108572154A - A method of quickly detecting peach juice Normal juice content based on near-infrared spectrum technique - Google Patents

A method of quickly detecting peach juice Normal juice content based on near-infrared spectrum technique Download PDF

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CN108572154A
CN108572154A CN201810543908.5A CN201810543908A CN108572154A CN 108572154 A CN108572154 A CN 108572154A CN 201810543908 A CN201810543908 A CN 201810543908A CN 108572154 A CN108572154 A CN 108572154A
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peach
juice
sample
honey
peach juice
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李祥辉
连媛媛
孙伟明
张小玲
李春艳
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Fujian 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
    • G01N21/3577Investigating 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
    • 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

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Abstract

The present invention relates to a kind of methods quickly detecting peach juice Normal juice content based on near-infrared spectrum technique.Step S1, spectroscopic data is obtained:Honey peach peach juice sample is subjected near infrared spectrum scanning, obtains the near-infrared absorption spectrum of honey peach peach juice sample;Step S2, model is established:It is pre-processed according to the near-infrared absorption spectrum of the honey peach peach juice sample obtained in step S1, Quantitative Analysis Model is then established using Partial Least Squares PLS;Step S3, unknown honey peach peach juice sample is predicted:Using the model established in step S2, the peach juice quality of unknown honey peach peach juice sample is predicted.The present invention provides a kind of easy, quick, lossless new method for the quantitative analysis of Normal juice content in peach juice beverage, and a kind of new approaches are provided for Rapid identification peach juice quality.

Description

A method of quickly detecting peach juice Normal juice content based on near-infrared spectrum technique
Technical field
The present invention relates to a kind of methods quickly detecting peach juice Normal juice content based on near-infrared spectrum technique.
Background technology
Peach heat and acid sweet in flavor, contain abundant nutritive value.There is the effect of benefiting qi and nourishing blood, Xie Laore, quench one's thirst of promoting the production of body fluid. In addition, peach can increase gastrointestinal peristalsis, and its iron-holder is higher containing more organic acid and cellulose, can auxiliary treatment lack Iron anaemia.And peach is easy with its result morning, high efficiency, management, becomes the forestry plantation project quickly grown in recent years. It is counted according to FAO (Food and Agriculture Organization of the United Nation), for the current cultivated area of China peach up to 6,000,000 mu, more than 300 ten thousand tons of annual output, is world peach fruit First big producer[1].Short in view of ripe peach fruit storage period, most of peaches are made into peach juice and are sold.Currently, market Sold peach juice beverage is mostly peach juice.It is squeezed however, peach juice is more difficult in real production process, commercially available peach juice is caused to be drunk Expect that Normal juice content difference is larger, peach juice quality is irregular.Therefore, the detection and analysis of commercially available peach juice are most important.Currently, detection The conventional method of fruit juice quality mainly has atomic absorption spectrophotometer(Atomic absorption Spectrophotometer, AAS)[2], gas chromatography-mass spectrum technology (Gas Chromatography-Mass Spectrometer, GC-MS) [3], high performance liquid chromatography(High performance liquid chromatography, HPLC)[4]Deng although these method testing results are accurate, the above method needs complicated pretreatment, and time-consuming, testing cost The shortcomings of expensive.It would therefore be highly desirable to develop more quick, easy, cheap, accurate analysis sides for being suitable for peach juice Quality Detection Method.
Near infrared spectrum(Near Infrared Spectroscopy, NIRs)Analytical technology have it is efficient, take it is short, It is environmentally protective, can online non-destructive testing the advantages that, mainly pass through detect sample to be tested hydric group(X-H, X are:C, O, N, S Deng)The characteristic information of chemical bond (X-H) vibration, rotation of stretching vibration frequency multiplication and sum of fundamental frequencies etc. near infrared band, it has also become The effective tool for identifying active constituent content etc. in food quality, analysis food, is widely used in camellia oil[5], milk[6]、 Honey[7-8], cider[9]Etc. Quality Detections.However, due to fruit juice constituents complexity, near infrared spectrum overlapping is serious, therefore limits Application of the near-infrared spectrum technique in terms of fruit juice quartile length.
In consideration of it, utilizing near-infrared spectrum technique combination Partial Least Squares herein(Partial Least Squares, PLS)Peach Normal juice content in peach juice beverage is analyzed, a kind of determining for Normal juice content quickly, in non-destructive determination peach juice beverage is established Quantity measuring method has good reference value in practical applications.
Invention content
The purpose of the present invention is to provide a kind of method quickly detecting peach juice Normal juice content based on near-infrared spectrum technique, A kind of easy, quick, lossless new method is provided for the quantitative analysis of Normal juice content in peach juice beverage, is Rapid identification peach juice Quality provides a kind of new approaches.
To achieve the above object, the technical scheme is that:One kind quickly detecting peach juice based on near-infrared spectrum technique The method of Normal juice content, includes the following steps:
Step S1, spectroscopic data is obtained:Honey peach peach juice sample is subjected near infrared spectrum scanning, obtains honey peach peach juice sample Near-infrared absorption spectrum;
Step S2, model is established:Located in advance according to the near-infrared absorption spectrum of the honey peach peach juice sample obtained in step S1 Reason, then establishes Quantitative Analysis Model using Partial Least Squares PLS;
Step S3, unknown honey peach peach juice sample is predicted:Using the model established in step S2, unknown honey peach peach juice sample is predicted The peach juice quality of product.
In an embodiment of the present invention, in the step S1, Fourier Transformation Near-Infrared Spectroscopy Analysis instrument is to juicy peach Juice sample carries out near infrared spectrum scanning, sets scanning range as 10000 ~ 4000 cm-1, resolution ratio is 16 cm-1, Mei Geshui Honey peach peach juice Sample Scan 3 times, takes its average value as the near-infrared absorption spectrum of honey peach peach juice sample.
In an embodiment of the present invention, the honey peach peach juice sample is the different honey peach of honey peach Normal juice mass fraction Peach juice sample.
In an embodiment of the present invention, the preparation method of the honey peach peach juice sample is:First, honey peach sample is washed Net stoning, and be cut into fragment and be put in blender, it is stirred 10-15 minutes with 20000 revs/min of rotating speed, through gauze mistake after stirring Filter 3 times, takes supernatant to be placed in beaker for use;Then, divide with a series of contained honey peach Normal juice quality of distilled water mixed preparing Different 20 samples of number, i.e., the quality of honey peach peach juice Normal juice is respectively in each sample:5,10,15,20,25,30,35, 40,45,50,55,60,65,70,75,80,85,90,95,100g, concussion shakes up, and each sample is 100g;Randomly select 10 It is a to do calibration set, remaining 10 collection that give a forecast.
In an embodiment of the present invention, in the step S2, the near-infrared absorption spectrum of honey peach peach juice sample is carried out Pretreated method includes:Multiplicative scatter correction, standard normal variable transformation, the smooth single order of SG convolution, the smooth second order of SG convolution, Standardization.
In an embodiment of the present invention, in the step S2, Quantitative Analysis Model is being established using Partial Least Squares PLS Later, it also needs to be used as and built using correction root-mean-square error, predicted root mean square error, correction related coefficient, prediction related coefficient The evaluation index of vertical Quantitative Analysis Model is carried out with the most suitable near-infrared absorption spectrum to honey peach peach juice sample of determination Pretreated method, to establish optimal Quantitative Analysis Model.
In an embodiment of the present invention, in the step S2, using the Quantitative Analysis Model of Partial Least Squares PLS foundation For from the Quantitative Analysis Model of the % of the 0 % ~ 100 Normal juice various concentration gradients of peach juice containing honey peach.
Compared to the prior art, the invention has the advantages that:The present invention is that Normal juice content is determined in peach juice beverage Amount analysis provides a kind of easy, quick, lossless new method, and a kind of new approaches are provided for Rapid identification peach juice quality.
Description of the drawings
Fig. 1 is the atlas of near infrared spectra of various concentration peach juice.
Fig. 2 is the pretreated near infrared spectrum of distinct methods:(a) Raw (b) 1st (c) 2st (d) SNV (e) MSC (f) Nor。
Fig. 3 is the predicted value of the PLS models under different pretreatments and true Distribution value:(a) Raw (b) 1st (c) 2st (d) SNV (e) MSC (f) Nor。
Specific implementation mode
Below in conjunction with the accompanying drawings, technical scheme of the present invention is specifically described.
The present invention provides a kind of method quickly detecting peach juice Normal juice content based on near-infrared spectrum technique, including it is as follows Step:
Step S1, spectroscopic data is obtained:Honey peach peach juice sample is subjected near infrared spectrum scanning, obtains honey peach peach juice sample Near-infrared absorption spectrum;
Step S2, model is established:Located in advance according to the near-infrared absorption spectrum of the honey peach peach juice sample obtained in step S1 Reason, then establishes Quantitative Analysis Model using Partial Least Squares PLS;
Step S3, unknown honey peach peach juice sample is predicted:Using the model established in step S2, unknown honey peach peach juice sample is predicted The peach juice quality of product.
In the step S1, Fourier Transformation Near-Infrared Spectroscopy Analysis instrument carries out near infrared spectrum to honey peach peach juice sample Scanning, sets scanning range as 10000 ~ 4000 cm-1, resolution ratio is 16 cm-1, each honey peach peach juice Sample Scan 3 times, Take its average value as the near-infrared absorption spectrum of honey peach peach juice sample.
The honey peach peach juice sample is the different honey peach peach juice sample of honey peach Normal juice mass fraction.The honey peach The preparation method of peach juice sample is:First, honey peach sample is cleaned into stoning, and is cut into fragment and is put in blender, with 20000 Rev/min rotating speed stir 10-15 minutes, through filtered through gauze 3 times after stirring, supernatant is taken to be placed in beaker for use;Then, with steaming A series of 20 different samples of contained honey peach Normal juice mass fractions of distilled water mixed preparing, i.e., honey peach peach juice in each sample The quality of Normal juice is respectively:5,10,15,20,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95, 100g, concussion shake up, and each sample is 100g;It randomly selects 10 and does calibration set, remaining 10 collection that give a forecast.
In the step S2, carrying out pretreated method to the near-infrared absorption spectrum of honey peach peach juice sample includes:It is more First scatter correction, standard normal variable transformation, the smooth single order of SG convolution, the smooth second order of SG convolution, standardization.
In the step S2, after establishing Quantitative Analysis Model using Partial Least Squares PLS, also need equal using correction Square error, predicted root mean square error, correction related coefficient, prediction related coefficient are commented as the Quantitative Analysis Model established Valence index carries out pretreated method, to build with the most suitable near-infrared absorption spectrum to honey peach peach juice sample of determination Found optimal Quantitative Analysis Model.
In the step S2, use the Quantitative Analysis Model that Partial Least Squares PLS is established for from the aqueous honey of the % of 0 % ~ 100 The Quantitative Analysis Model of peach peach juice Normal juice various concentration gradient.
It is the specific implementation process of the present invention below.
1, instrument and reagent
Fourier Transformation Near-Infrared Spectroscopy Analysis instrument(II types of ANTARIS, Thermo companies);10 mm quartz colorimetric utensils;MATLAB (R2013a);N/D, color and luster be good, immaculate honey peach(Local market is purchased).
2, sample preparation
Honey peach sample is cleaned into stoning, and is cut into fragment and is put in blender, with 20000 revs/min of 10-15 points of rotating speed stirring Clock takes supernatant to be placed in beaker for use through filtered through gauze 3 times after stirring.Prepare a series of contained honey peach Normal juice quality point 20 different samples of number, i.e., each sample(100 g)The quality of middle peach Normal juice is respectively:5,10,15,20,25,30,35, 40,45,50,55,60,65,70,75,80,85,90,95,100g, concussion shakes up, spare.
3, the acquisition of spectroscopic data
This experiment near infrared spectrum data uses the II type Fourier Transform Near Infrareds of ANTARIS that Thermo companies produce Analyzer acquires, which is furnished with high sensitivity InGaAs detectors, built-in automatic goldleaf background acquisition mode and configuration sample Cup circulator and quartz specimen cup integration sphere light source system.Prepared peach juice solution to be measured is contained using 10 mm quartz colorimetric utensils, Survey its 10000 ~ 4000 cm-1Near infrared spectrum data in range, resolution ratio are 16 cm-1, each sample scans 3 times, takes it Near-infrared absorption spectrum of the average value as sample, the results are shown in Figure 1 for spectroscopic data.It is to measure background with air, in room temperature Lower measurement, air humidity are controlled in 65 %, and quantitative analysis is carried out with PLS.The data obtained is in Matlab (R2013a)Middle progress Analyzing processing.
4, data prediction
The factors such as the granular size of sample to be tested itself, the uniformity of sample interior structure, sample self stability, with close red It can have a certain impact to result when external spectrum result of calculation.Meanwhile the factors such as noise when instrument detection sample itself can drop The effective information of the near-infrared spectrogram of low gained sample.For lowering apparatus inherently factor and sample to be tested oneself factor to institute The influence for building accuracy, stability of Quantitative Analysis Model etc. needs first to use highly selective method near infrared spectrum number According to being pre-processed, corresponding Quantitative Analysis Model is established on this basis.
To make data preferably present, the present invention optimizes data using 5 kinds of different preprocess methods, respectively Multiplicative scatter correction(Multiplicative scatter correction, MSC), standard normal variable change(standard Normal variate, SNV), the smooth single order of SG convolution(Savitzky-Golay first-derivative, 1st), SG volumes The smooth second order of product(Savitzky-Golay second derivative, 2st), standardization(Normalize, Nor).Through locating in advance As shown in Fig. 2, wherein Fig. 2 a are data without any pretreated artwork, Fig. 2 b are through 1st methods for data spectrogram after reason It is pre-processed, Fig. 2 c are pre-processed through 2st methods, and Fig. 2 d are pre-processed through SNV methods, and Fig. 2 e are through the side MSC Method is pre-processed, and Fig. 2 f are pre-processed through Nor methods.Can intuitively it be found out by 1st by Fig. 2(Fig. 2 b)And 2st(Figure 2c)Pretreated spectrogram is more compared to the burr that other preprocess methods occur, this is because using differential process, signal While being amplified, noise is also amplified[7]
5, the foundation of Quantitative Analysis Model
In the Quantitative Analysis Model for establishing near infrared spectrum, PLS is most common data analysing method.PLS analysis methods are beaten Broken traditional quantitative analytical model, the method for modular form and the method for cognitive-ability are combined, and realize regression modeling and data structure letter The organic unity of change.For more preferable, more intuitively evaluation model generalization ability, herein mainly using correction root-mean-square error (Root mean squared error of calibration, RMSEC), predicted root mean square error(Root Mean Square Errors of Prediction, RMSEP), correction related coefficient(Correlation Coefficient of Calibration, Rc), prediction related coefficient(Correlation Coefficient of Prediction, Rp)As mould The value of the evaluation index of type, wherein Rp and Rc is bigger, while RMSEP, RMSEC value are smaller, and performance is higher.PLS is used herein Method carries out quantitative analysis to data, it is intended to find optimum regression curve, establish from the % of 0 % ~ 100 Normal juice containing peach juice various concentration ladder The Quantitative Analysis Model of degree.
Prepared 20 peach juice samples are randomly selected 10 and do calibration set, remaining 10 collection that give a forecast, for quantitative The foundation of analysis model.The model that peach juice is established after pretreated is as shown in figure 3, predicted value is distributed in tiltedly with actual value When on the straight line that rate is 1, show that predicted value is almost identical as actual value, gained model is best, and predictablity rate is close to 100 %. Middle predicted value and the distribution situation of actual value understand b according to fig. 3, and f distributions are best, and c distributions are worst, almost de- with straight line From.
Numerical values recited for the preprocess method for selecting best, the present invention Rp, Rc, RMSEP, RMSEC is predicted to weigh The quality of value and actual value distribution situation, as shown in table 1.From the data in the table, by standardizing pretreated data most Good, Rp, Rc, RMSEP, RMSEC numerical value is respectively 0.9988,0.9973,0.0140,0.0212.In contrast, by 2st Data after pretreated are worst, are not suitable for the foundation of peach juice model.
6, it summarizes
The present invention carries out spectral scan by the near-infrared spectrometers sample different to honey peach Normal juice content, then uses 5 kinds of distinct methods are pre-processed, and establish Quantitative Analysis Model using Partial Least Squares, and model is verified with reference to multiple parameters Accuracy.Result of study shows that the Quantitative Analysis Model that data are established after being pre-processed according to standardization is most steady, Rp, Rc, RMSEP, RMSEC respectively reach 0.9988,0.9973,0.0140,0.0212, and predicted value is almost identical as actual value.Therefore, originally Text provides a kind of easy, quick, lossless new method for the quantitative analysis of Normal juice content in peach juice beverage, is Rapid identification peach Juice quality provides a kind of new approaches.
Bibliography:
[1] production status of the super China the peach of Zhu Gengrui, Wang Lirong, Fang Wei and development tactics [J] deciduous fruit trees, 2003, 35(4):14-16.
[2]Williams AB, Ayejuyo OO, Ogunyale AF. Trace metal levels in fruit juices and carbonated beverages in Nigeria[J]. Environmental monitoring and assessment, 2009, 156(1-4): 303-306.
[3] Kang Mingli, Pan Siyi, Fan Gang, wait HS-SPME-GC-MS methods measure differing maturity mandarin orange fruit juice volatility at Divide [ J ] food industry science and technology, 2014,35 (19): 326-330.
[4]Pei M, Huang X. Determination of trace phenolic acids in fruit juice samples using multiple monolithic fiber solid-phase microextraction coupled with high-performance liquid chromatography[J]. Analytical Methods, 2016, 8 (18): 3831-3838.
[5] grandson is logical, Wei little Mei, Hu Tian, Xu Wenli, and Liu Mu China visible/near infrared combination MIA variables are preferably and support Vector machine differentiation camellia oil produces mode [J] food industry science and technology, 2014, 35(20): 62-65.
[6]Moser JK, Singh M, Rennick KA, et al. Detection of Corn Adulteration in Brazilian Coffee (Coffea arabica) by Tocopherol Profiling and NIR Spectroscopy[J]. Journal of Agricultural & Food Chemistry, 2015.
[7] Chen Lan treasure honey qualities near infrared spectrum assessment technique research [D] the Chinese Academy of Agricultural Sciences, 2010.
[8] Ding Jiaxin, Zhang Qiuhai, Japanese plum jasmine, Liu Hong applications near infrared spectroscopies quickly measure glucose and fruit in honey Sugared content [J] spectroscopy and spectrum analysis, 2016, (S1).
[9]Ying Li, Yajing Guo, Chang Liu, et al. SPA combined with swarm intelligence optimization algorithms for wavelength variable selection to rapidly discriminate the adulteration of apple juice. Food Analytical Methods, 2017, 10, 1965-1971。
The above are preferred embodiments of the present invention, all any changes made according to the technical solution of the present invention, and generated function is made When with range without departing from technical solution of the present invention, all belong to the scope of protection of the present invention.

Claims (7)

1. a kind of method quickly detecting peach juice Normal juice content based on near-infrared spectrum technique, which is characterized in that including walking as follows Suddenly:
Step S1, spectroscopic data is obtained:Honey peach peach juice sample is subjected near infrared spectrum scanning, obtains honey peach peach juice sample Near-infrared absorption spectrum;
Step S2, model is established:Located in advance according to the near-infrared absorption spectrum of the honey peach peach juice sample obtained in step S1 Reason, then establishes Quantitative Analysis Model using Partial Least Squares PLS;
Step S3, unknown honey peach peach juice sample is predicted:Using the model established in step S2, unknown honey peach peach juice sample is predicted The peach juice quality of product.
2. a kind of method quickly detecting peach juice Normal juice content based on near-infrared spectrum technique according to claim 1, It is characterized in that, in the step S1, Fourier Transformation Near-Infrared Spectroscopy Analysis instrument carries out near infrared light to honey peach peach juice sample Spectrum scanning, sets scanning range as 10000 ~ 4000 cm-1, resolution ratio is 16 cm-1, each honey peach peach juice Sample Scan 3 It is secondary, take its average value as the near-infrared absorption spectrum of honey peach peach juice sample.
3. a kind of method quickly detecting peach juice Normal juice content based on near-infrared spectrum technique according to claim 1 or 2, It is characterized in that, the honey peach peach juice sample is the different honey peach peach juice sample of honey peach Normal juice mass fraction.
4. a kind of method quickly detecting peach juice Normal juice content based on near-infrared spectrum technique according to claim 1 or 2, It is characterized in that, the preparation method of the honey peach peach juice sample is:First, honey peach sample is cleaned into stoning, and be cut into broken Block is put in blender, is stirred 10-15 minutes with 20000 revs/min of rotating speed, through filtered through gauze 3 times after stirring, supernatant is taken to set It is for use in beaker;Then, 20 samples different from a series of contained honey peach Normal juice mass fractions of distilled water mixed preparing, The quality of honey peach peach juice Normal juice is respectively in i.e. each sample:5,10,15,20,25,30,35,40,45,50,55,60,65, 70,75,80,85,90,95,100g, concussion shakes up, and each sample is 100g;It randomly selects 10 and does calibration set, residue 10 A collection that gives a forecast.
5. a kind of method quickly detecting peach juice Normal juice content based on near-infrared spectrum technique according to claim 1, It is characterized in that, in the step S2, carrying out pretreated method to the near-infrared absorption spectrum of honey peach peach juice sample includes:It is more First scatter correction, standard normal variable transformation, the smooth single order of SG convolution, the smooth second order of SG convolution, standardization.
6. a kind of method quickly detecting peach juice Normal juice content based on near-infrared spectrum technique according to claim 5, It is characterized in that, in the step S2, after establishing Quantitative Analysis Model using Partial Least Squares PLS, also needs using correction Root-mean-square error, predicted root mean square error, correction related coefficient, prediction related coefficient are as the Quantitative Analysis Model established Evaluation index carries out pretreated method with the most suitable near-infrared absorption spectrum to honey peach peach juice sample of determination, to Establish optimal Quantitative Analysis Model.
7. a kind of method quickly detecting peach juice Normal juice content based on near-infrared spectrum technique according to claim 1, It is characterized in that, in the step S2, uses the Quantitative Analysis Model that Partial Least Squares PLS is established to be aqueous from the % of 0 % ~ 100 The Quantitative Analysis Model of honey peach peach juice Normal juice various concentration gradient.
CN201810543908.5A 2018-05-31 2018-05-31 A method of quickly detecting peach juice Normal juice content based on near-infrared spectrum technique Pending CN108572154A (en)

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CN106770000A (en) * 2015-11-23 2017-05-31 郭洪 A kind of acidity of fruit confection quality real-time detection apparatus
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CN105044021A (en) * 2015-07-08 2015-11-11 湖南环境生物职业技术学院 Mid-autumn crispy jujube sugar degree nondestructive test method
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Application publication date: 20180925