[Study on the Analysis of the Proportion of Mixed Samples with Near Infrared Spectroscopy and Non-Negative Coefficients Regression].

In the process of practical production, it is important to accurately analyze the proportion of mixed samples with high speed, which plays a great role for quality control and formulation design in food and agricultural processing. Traditional solution is to build statistical model with a large number of representative samples, which is both labor-intensive and time-consuming. In this paper, the proportion of alcohol and acids mixed samples, and their dilute solution mixed samples(used carbon tetrachloride (CCl4) which has no near-infrared absorption characteristics as the solvent medium)，as well as sheet tobacco leaf mixed samples are respectively analyzed by using near infrared spectroscopy, SG smooth and non-negative coefficients regression, which verifies the feasibility of analyzing the proportion of the mixed samples. The results show that, the analytic proportion of transmission spectra of alcohol and acids according to non-negative coefficients regression is closer to actual molar proportion with result error less than 4%. The result of the dilute solution is much better with error less than 4%. The analytic proportion of diffuse reflectance spectra of sheet tobacco leaf according to non-negative coefficients regression is highly accurate with error less than 10%. In the meantime, it has a highly consistency between actual spectra and analytic spectra of mixed samples; and the result of F-test and T-test shows that there is no significant difference between them and the confidence level is 0.01. It has the reliability of analytical proportion in theory. With the spectral data of several pure samples, the proportion of mixed samples can be thus analyzed, which has a good application prospect for quality control and formulation design in food and agricultural processing.

[Quality anlysis of the before redrying raw tobacco & after redrying sheet tobacco by using online near infrared spectroscopy].

In this paper, the 7 different origin before redrying raw tobacco & after redrying sheet tobacco's online near infrared spectroscopy were collected from sorting & redrying production line specifically for "ZHONGHUA" brand. By using the projection model bulit by different origin tobacco's online spectroscopy and the method of variance and correlation analysis, we studied the uniformity and similarity quality characteristics change before and after the redrying of tobacco, which can provide support for understanding the quality of the tobacco material and cigarette product formulations. This study show that selecting about 10,000 by equally spaced sampling time from a huge number of online near infrared spectroscopy, for modeling are feasible, and representative. After manual sorting, threshing, and redrying, the uiformity of each origin tobacco near-infrared spectroscopy can be increased by 10%~35%, homogeneity of the tobacco leaf has been significantly improved. After redrying, the similar relationship embodied in the origin also have significant changes, overall it reduce significantly, that shows the quality differences embodied by origin significantly improve, which can provide greater space for formulations, it shows the need for high-quality Chinese cigarette production requires large amounts of financial and human resources to implement cured tobacco processing. The traditional means of chemical analysis, it takes a lot of time and effort, it is difficult to control the entire processing chain, Near Infrared Spectroscopy with its rapid, non-destructive advantage, not only can achieve real-time detection and quality control, but also can take full advantage of near-infrared spectroscopy information created in the production process, which is a very promising online analytical detection technology in many industries especially in the agricultural and food processing industries.

[Analysis of tobacco site features using near-infrared spectroscopy and projection model].

In this paper, total of 5170 flue-cured tobacco samples collected from 2003 to 2012 in the domestic and foreign origin by Shanghai Tobacco Group Technical Center were tested by near infrared spectroscopy, including the typical upper leaves 1394, central 2550, the lower part of 1226. Using projection model of based on principal component and Fisher criterion (PPF), follow the projected results to get no statistically significant differences at adjacent principal components, and the number of principal components as little as possible, in this paper, four main components to build projection analysis model, the model results show that: the near-infrared spectral characteristics of the upper and lower leaves have a significant difference that can be achieved almost entirely distinguished; while the middle leaves with upper and lower have a certain degree of overlap, which is consistent to the actual situation of the continuity of tobacco leaf. At the same time, Euclidean distance between the predicted sample projection values and the mean projection values of each class in the model, a description is given for the prediction samples to quantify the extent of the site features, and its first and second close categories. Using the dispersion of projected values in model and the given threshold value, prediction results can be refined into typically upper, upper to central, central to upper, typical central, central to the lower, the lower to central, typically the lower, or super-model range. The model was validated by 34 tobacco samples obtained from the re-drying process in 2012 with different origins and parts. This kind of analysis methods, not only can achieve discriminant analysis, and get richer feature attribute information, can provide guidance on the raw tobacco processing and formulations.

Analysis of tobacco color and location features using visible-near infrared hyperspectral data.

In the present paper, six categories of standard industrial grading tobacco provided by Hongta Group are taken as experimental samples, including three different tobacco locations-upper (B), middle(C) and lower(X) parts, with each part containing two kinds of tobacco colors-orange (O) and lemon yellow (L). Two methods including projection model method based on principal component and Fisher criterion (PPF) and support vector machine (SVM) method are used to analyze color and location features of tobacco based on visible-near infrared hyperspectral data. The results of projection model method indicate that in the projection and similarity analysis of tobacco color, location and six tobacco groups classified by color and location, two kinds of color can be fully differentiated, of which the similarity value is -1.000 8. Tobacco from upper and lower parts can also be fully differentiated with similarity value 0.405 3, but they both have intersections with tobac- co from middle part. Six tobacco groups classified by color and location can be fully differentiated as well and their projection positions meet the actual external features of tobacco. The results of support vector machine method indicate that in the discriminant analysis of tobacco color, location and six tobacco groups classified by color and location, the average recognition rate of tobacco colors reaches 98%. The average recognition rate of tobacco location is 96%. The average recognition rate of six tobacco groups is 94%. Therefore, it's feasible to analyze color and location features of tobacco using visible-near infrared hyperspectral data, which can provide reference for tobacco quality evaluation, computer-aided grading and tobacco intelligent acquisition, and also offers a new approach to the analysis of exterior features of other agricultural products.

[Analysis of tobacco style features using near-infrared spectroscopy and projection model].

In the present paper, a total of 4,733 flue-cured tobacco samples collected from 2003 to 2012 in 17 provincial origins and 5 ecological areas were tested by near infrared spectroscopy, including the NONG(Luzhou) flavor 1,580 cartons, QING (Fen) flavor 2004 cartons and Intermediate flavor 1 149 cartons. Using projection model based on principal component and Fisher criterion (PPF), Projection analysis models of tobacco ecological regions and style characteristics were established. Reasonableness of style flavor division is illustrated by the model results of tobacco ecological areas. With the Euclidean distance between the predicted sample projection values and the mean projection values of each class in style characteristics model, a description is given for the prediction samples to quantify the extent of the style features, and their first and second close categories. Using the dispersion of projected values in model and the given threshold value, prediction results can be refined into typical NONG, NONG to Intermediate, Intermediate to NONG, typical Intermediate, Intermediate to QING, QING to Intermediate, typical QING, QING to NONG, NONG to QING, or super-model range. The model was validated by 35 tobacco samples obtained from the re-dryingprocess in 2012 with different origins and parts. This kind of analysis methods not only can achieve discriminant analysis, but also can get richer feature attribute information and provide guidance to raw tobacco processing and formulations.

[Tobacco quality analysis of producing areas of Yunnan tobacco using near-infrared (NIR) spectrum].

In the present study, tobacco quality analysis of different producing areas was carried out applying spectrum projection and correlation methods. The group of industrial classification data was near-infrared (NIR) spectrum in 2010 year of middle parts of tobacco plant from Hongta Tobacco (Group) Co., Ltd. Twelve hundred seventy six superior tobacco leaf samples were collected from four producing areas, in which three areas from Yuxi, Chuxiong and Zhaotong, in Yunnan province all belong to tobacco varieties of K326 and one area from Dali belongs to tobacco varieties of Hongda. The conclusion showed that when the samples were divided into two parts by the ratio of 2 : 1 randomly as analysis and verification sets, the verification set corresponded with the analysis set applying spectrum projection because their correlation coefficients by the first and second dimensional projection were all above 0.99. At the same time, The study discussed a method to get the quantitative similarity values of different producing areas samples. The similarity values were instructive in tobacco plant planning, quality management, acquisition of raw materials of tobacco and tobacco leaf blending.

[Study of selecting characteristic wavelengths in qualitative analysis of near infrared spectroscopy].

The present article proposed a method of stepwise selecting characteristic wavelengths based on minimum sum of correlation coefficients (SMCC). The maximization of the ratio of inter-class Euclidean distance to the sum of inner-class Euclidean distances was used as evaluation basis in qualitative analysis of near infrared spectroscopy. Seventeen kinds of grading tobacco leaf in 2012, provided by Hongta Group, were used as experimental samples to verify the effectiveness of this new method. CO1 was selected as the reference category and ten points were selected as characteristic wavelengths. The results indicated that the average value of inner-class Euclidean distance, calculated by characteristic wavelengths, was 1.69 times as large as that calculated by all wavelengths. The average value of inter-class Euclidean distance, calculated by characteristic wavelengths, was 3.70 times as large as that calculated by all wavelengths. The average value of the ratio of inter-class Euclidean distance to the sum of inner-class Euclidean distances, calculated by characteristic wavelength, was 2.21 times as large as that calculated by all wavelengths. The ratio of characteristic wavelengths was increased. The characteristic wavelengths can express the classical differences. It was showed that SMCC was an effective way to select characteristic wavelengths in qualitative analyses of near infrared spectroscopy.

[Research on characteristic of tobaccos from different ecological environments base on near infrared spectroscopy].

Four hundred ninety five samples from 3 parts of tobacco were collected from 11 different ecological environments in 2010 to analyze the characteristics of tobaccos in different ecological environments with near infrared spectroscopy. The results indicate that the differences are remarkable both between lower and upper parts and between lower and middle parts of tobacco, while negligible between upper and middle parts of tobacco under the same ecological environment. Good stability and consistency were showed by the similarity of characteristics of tobaccos under different ecological environments, and the projection correlation coefficient of analysis set and validation set is over 98%. This article also proposes a method of measuring the similarity between characteristics of tobaccos from different ecological environments. The results can provide reference data to quantify tobacco's planting programming, production processing and quality management.

[Tobacco quality analysis of industrial classification of different years using near-infrared (NIR) spectrum].

In this study, tobacco quality analysis of main Industrial classification of different years was carried out applying spectrum projection and correlation methods. The group of data was near-infrared (NIR) spectrum from Hongta Tobacco (Group) Co., Ltd. 5730 tobacco leaf Industrial classification samples from Yuxi in Yunnan province from 2007 to 2010 year were collected using near infrared spectroscopy, which from different parts and colors and all belong to tobacco varieties of HONGDA. The conclusion showed that, when the samples were divided to two part by the ratio of 2:1 randomly as analysis and verification sets in the same year, the verification set corresponded with the analysis set applying spectrum projection because their correlation coefficients were above 0.98. The correlation coefficients between two different years applying spectrum projection were above 0.97. The highest correlation coefficient was the one between 2008 and 2009 year and the lowest correlation coefficient was the one between 2007 and 2010 year. At the same time, The study discussed a method to get the quantitative similarity values of different industrial classification samples. The similarity and consistency values were instructive in combination and replacement of tobacco leaf blending.

[Tobacco quality analysis of industrial classification of different producing area using near-infrared (NIR) spectrum].

In this study, tobacco quality analysis of industrial classification of different producing area was carried out applying spectrum projection and correlation methods. The group of industrial classification data was near-infrared (NIR) spectrum in 2010 year from different tobacco plant parts and colors of Hongta Tobacco (Group) Co., Ltd. 6 064 tobacco leaf samples of 17 classes from Yuxi, Chuxiong and Zhaotong, in Yunnan province and 6 industrial classifications were collected using near infrared spectroscopy, which from different parts and colors and all belong to tobacco varieties of K326. The conclusion showed that, the probability of the grading belonging by the first dimension was 84%, the probability of the producing area belonging by the second dimension was 71%. The study can explain the difference of tobacco quality of industrial classification and producing area by a projection method to get the quantitative similarity values. The quantitative similarity values were instructive in combination of tobacco leaf blending.

[The highest proportion of tobacco materials in the blend analysis using PPF projection method for the near-infrared spectrum and Monte Carlo method].

The present paper builds a model based on Monte Carlo method in the projection of the blending tobacco. This model is made up of two parts: the projecting points of tobacco materials, whose coordinates are calculated by means of the PPF (projection based on principal component and Fisher criterion) projection method for the tobacco near-infrared spectrum; and the point of tobacco blend, which is produced by linear additive to the projecting point coordinates of tobacco materials. In order to analyze the projection points deviation from initial state levels, Monte Carlo method is introduced to simulate the differences and changes of raw material projection. The results indicate that there are two major factors affecting the relative deviation: the highest proportion of tobacco materials in the blend, which is too high to make the deviation under control; and the quantity of materials, which is so small to control the deviation. The conclusion is close to the principle of actual formulating designing, particularly, the more in the quantity while the lower in proportion of each. Finally the paper figures out the upper limit of the proportions in the different quantity of materials by theory. It also has important reference value for other agricultural products blend.

[Tobacco plant parts similarity analysis based on near-infrared spectroscopy and SIMCA algorithm].

The appearance features of tobacco reflect its inner quality. Many factors, such as different plant parts, variety and maturity, provide standard and foundation for tobacco production processing. According to the different position of tobacco plant parts, tobacco plants leaves can be divided into five parts as tip, upper-middle, middle, lower-middle and priming leaf respectively. Five hundred tobacco leaf samples (100 each for one of five tobacco plant parts) from Yunnan province in 2008 were collected using near infrared spectroscopy, which all belong to tobacco varieties of K326. The similarity analysis of tobacco plant parts was carried out using mathematical model of SIMCA similarity analysis. The conclusion showed that the tobacco plant parts similarity results based on near-infrared spectroscopy corresponded to the relative tobacco plant parts in Yunnan province. The farther two tobacco plant parts were away from each other, the lower the similarity of corresponding parts was. And the similarity results of adjacent tobacco plant parts were different. The study discussed a method of confirming PC numbers and realized the quantitative similarity analysis between classes. It is instructive in replacement or adjustment of tobacco leaf blending and evaluation of tobacco industrial grading.

[The application of near-infrared diffuse reflection spectra based on the principle of linear additive in tobacco redrying formula].

In the process of analyzing and designing tobacco redrying formula using near infrared spectroscopy, a great deal of spectra for different ratio mixed samples are badly needed. However these sample spectra are very hard to obtain in the actual production process. Furthermore, for the samples of different grades it is difficult to achieve the goal of even mixing, in consequence of introducing inevitable errors. In order to solve the above problems, the present paper proposes to use "theory of even mixed spectrum" produced by linear additive near infrared spectroscopy in place of the spectra of actual mixed samples. This way can not only eliminate the errors caused by uneven mixture, but also leave out the course of mixing samples and measuring spectra and save time, effort, and material simultaneously. This article analyzes the comparison between linear additive spectra and the spectra of actual mixed samples from the following four aspects: original spectra, derivative spectra, principal components, and the data of PPF projection, accordingly verifing the feasibility and superiority of the linear additive spectra.

[Study on the projection method based on principal component of tobacco near-infrared spectrum and application in redrying model].

The present paper briefly describes the application of near-infrared spectroscopy technology in tobacco. Two methods for solving projection vector based on the principal component of near-infrared spectrum are reported. They are named as projection of basing on principal component and Fisher criterion by principal component analysis method (PPF_PCA for short) and projection of basing on principal component and Fisher criterion by solving eigenvalue (PPF_Eig for short), and they are studied and compared in the application and evaluation of the redrying model. The result of the first-dimensional projection on 9 kinds of tobacco leaf grading samples shows that, the diversity of the first-dimensional projection values of inter-class and intra-class by the PPF_PCA method is both larger than that by the PPF_Eig method, and the mean absolute deviation of the mean projection values of inter-class by the PPF_PCA method is about 1.26 times that of the PPF_Eig method. At the same time, this result is interpreted by using the contribution rate of the first-dimensional projection values. That is, the contribution rate of first-dimensional projection values by the PPF_PCA method is 93%, while the contribution rate of first-dimensional projection values by the PPF_Eig method is 77%. The former is about 1.21 times the later. Therefore, the first-dimensional projection values by PPF PCA method include more information of diversity of both inter-class and intra-class. The similarity of samples inter-class and the diversity of samples intra-class can be evaluated more objectively from first-dimensional projection figure(on 9 kinds of tobacco leaf grading samples, 33 kinds of tobacco leaf grading samples and 6 redrying blending models), so it is more convenient to be used as a reference for the redrying model of tobacco, and it has a good application prospect in other formulation design of agricultural products (traditional Chinese medicine etc.).

[Quantity analysis of information decomposition for near-infrared diffuse reflectance spectra].

Near infrared (NIR) diffuse reflection spectra can be used to obtain samples' chemical component content and physical parameters with few pretreatments. As a fast and nondestructive technique, NIR has been widely accepted. The diffuse reflection light is detected after interaction with sample. Generally, it is thought that the light carries the interior information of sample, but no one can definitely depict how much information of inner sample can be collected. In the present study, three kinds of flue-cured tobacco were used to design our tests. Each kind of tobacco was prepared in two forms, slice and powder. Then we got three slice tobacco samples and three powder tobacco samples. Every experimental sample consisted of one slice tobacco and one powder tobacco. The slice tobacco was put in the bottom of the sample-cup and the powder tobacco was placed on top of the slice tobacco. Combining different slice tobaccos with different powder tobaccos, the authors can get nine experimental samples. Every experimental sample was scanned from the bottom of the sample-cup for each sample using Bruker MPA FT-NIR instrument four times repeatedly, then we got 36 pieces of NIR spectra totally. In order to find the relationship between the deep light penetration and variance contribution rate of different principal components (PC) of NIR spectra, cluster analysis was carried out using different combination of PC. When the first and second PC were chosen, the samples were clustered according to the exterior slice tobacco; Using the third and fourth PC, the samples were clustered according to the interior powder tobacco. Combining the variance contribution rates of different PC, we could elementarily describe NIR spectra information composition according to the path length of the light penetration quantitatively. Results showed that the first and the second PC contained about 98% spectra information which represented the exterior information, and the third and the fourth PC contained about 1.5% which represented the interior information of the sample. These results can help us profoundly understand the importance of PC selection in NIR qualitative and quantitative analysis.

[Influence of sample loading and test conditions on NIR veracity and study of analysis error source].

The influence of sample test conditions on the NIR veracity was studied with homemade grating diffuse NIR instrument using Yunnan flue-cured tobacco. Deducing analysis error was achieved by model self-emendation when a global NIR model was set up. Without regarding the influence of loading samples and test conditions, the test repetition error, re-loading error and samples tightness error, which were brought by instrument S/N, accounted for 50%, 30% and 20% of the total error, respectively. Depressing sample could reduce errors brought by sample tightness. Changes in test conditions could bring more analysis error, which was larger than the total of repetition error. These results theoretically explain the influence of sample test conditions on the NIR analysis veracity, which can provide basic theory data for farther improvement of homemade instrument and offer a new idea for resolving this problem.

[Influence of sample annum and distribution of chemical values on NIR veracity].

The influence of sample annum and the distribution of sample component on NIR veracity was studied with homemade grating diffuse NIR instrument using Yunnan flue-cured tobacco. Results showed that sample annum had an obvious influence on the total sugar and nicotine models, but had an unconspicuous influence on the total-nitrogen model. Models set up by samples, whose component content distribution was normal school, was better than those set up by even distribution. The conclusion in this study has a significant referenced value for the method and principle to select representative samples to modeling from a large amount of specimens.

[Influence of LPLS algorithm parameters on NIR veracity].

The theory of local partial least square (LPLS) algorithm was described based on locally weighted regression algorithm (LWR). The influence of data processing parameters, such as principal component numbers and local set-up sample number in LPLS mode, on the NIR veracity was studied with homemade grating diffuse NIR instrument using Yunnan flue-cured tobacco. Results showed that for nicotine model, the principal component number decided by cross validation was not the best choice, and better results could be achieved by reducing the principal component number; using 30-50 samples to set up NIR model, the veracity of total sugar, total nitrogen, and nicotine could be improved by 7%, 14% and 10%, respectively. So, LPLS algorithm can effectively improve NIR model's veracity, and is a good method to set up robust NIR models.