Factors Affecting Soil Organic Carbon Content between Natural and Reclaimed Sites in Rudong Coast, Jiangsu Province, China

The physical and chemical properties of coastal soils in China have changed due to the development of reclaimed stretches of coastline, which has a significant impact on the dynamics of organic carbon (OC) in the soils. We evaluated changes in the physical and chemical properties of soils in both a natural area and a reclaimed area along the coast of Rudong County, China, as well as the effects that these changes had on the OC content of the soils. A partial least squares regression (PLSR) model was used to determine which factors are most important for driving changes in soil OC at four sites from each area. According to dominant vegetation types, there were significant differences in soil physical and chemical properties and OC content between the reclaimed area and natural coastal area. The mean grain size and pH increased gradually with depth, and values were highest in reclaimed areas. Mean total N (TN), P, and S, salinity, water content, and soil OC were highest in natural areas and decreased with depth. The PLSR model determined that TN, silt content, and sand content were the most important factors affecting soil OC in the reclaimed area, whereas TN, clay content, and water content were important factors affecting soil OC dynamics in the natural coastal areas. This study provides important reference data for correctly assessing the role and status of coastal areas in the global carbon cycle.

Hyperspectral Prediction of Soil Total Salt Content by Different Disturbance Degree under a Fractional-Order Differential Model with Differing Spectral Transformations

Soil salinization is an ecological challenge across the world. Particularly in arid and semi-arid regions where evaporation is rapid and rainfall is scarce, both primary soil salinization and secondary salinization due to human activity pose serious concerns. Soil is subject to various human disturbances in Xinjiang in this area. Samples with a depth of 0–10 cm from 90 soils were taken from three areas: a slightly disturbed area (Area A), a moderately disturbed area (Area B), and a severely disturbed area (Area C). In this study, we first calculated the hyperspectral reflectance of five spectra (R, R, 1/R, lgR, 1/lgR, or original, root mean square, reciprocal, logarithm, and reciprocal logarithm, respectively) using different fractional-order differential (FOD) models, then extracted the bands that passed the 0.01 significance level between spectra and total salt content, and finally proposed a partial least squares regression (PLSR) model based on the FOD of the significance level band (SLB). This proposed model (FOD-SLB-PLSR) is compared with the other three PLSR models to predict with precision the total salt content. The other three models are All-PLSR, FOD-All-PLSR, and IOD-SLB-PLSR, which respectively represent PLSR models based on all bands, all fractional-order differential bands, and significance level bands of the integral differential. The simulations show that: (1) The optimal model for predicting total salt content in Area A was the FOD-SLB-PLSR based on a 1.6 order 1/lgR, which provided good predictability of total salt content with a RPD (ratio of the performance to deviation) between 1.8 and 2.0. The optimal model for predicting total salt content in Area B was a FOD-SLB-PLSR based on a 1.7 order 1/R, which showed good predictability for total salt content with RPDs between 2.0 and 2.5. The optimal model for predicting total salt content in Area C was a FOD-SLB-PLSR based on a 1.8 order lgR, which also showed good predictability for total salt content with RPDs between 2.0 and 2.5. (2) Soils subject to various disturbance levels had optimal FOD-SLB-PLSR models located in the higher fractional order between 1.6 and 1.8. This indicates that higher-order FODs have a stronger ability to extract feature data from complex information. (3) The optimal FOD-SLB-PLSR model for each area was superior to the corresponding All-PSLR, FOD-All-PLSR, and IOD-SLB-PLSR models in predicting total salt content. The RPD value for the optimal FOD-SLB-PLSR model in each area compared to the best integral differential model showed an improvement of 9%, 45%, and 22% for Areas A, B, and C, respectively. It further showed that the fractional-order differential model provides superior prediction over the integral differential. (4) The RPD values that provided an optimal FOD-SLB-PLSR model for each area were: Area A (1.9061) < Area B (2.0761) < Area C (2.2892). This indicates that the prediction effect of data processed by fractional-order differential increases with human disturbance increases and results in a higher-precision model.

Quantification of Corn Adulteration in Wet and Dry-Processed Peaberry Ground Roasted Coffees by UV–Vis Spectroscopy and Chemometrics

In this present research, a spectroscopic method based on UV–Vis spectroscopy is utilized to quantify the level of corn adulteration in peaberry ground roasted coffee by chemometrics. Peaberry coffee with two types of bean processing of wet and dry-processed methods was used and intentionally adulterated by corn with a 10–50% level of adulteration. UV–Vis spectral data are obtained for aqueous samples in the range between 250 and 400 nm with a 1 nm interval. Three multivariate regression methods, including partial least squares regression (PLSR), multiple linear regression (MLR), and principal component regression (PCR), are used to predict the level of corn adulteration. The result shows that all individual regression models using individual wet and dry samples are better than that of global regression models using combined wet and dry samples. The best calibration model for individual wet and dry and combined samples is obtained for the PLSR model with a coefficient of determination in the range of 0.83–0.93 and RMSE below 6% (w/w) for calibration and validation. However, the error prediction in terms of RMSEP and bias were highly increased when the individual regression model was used to predict the level of corn adulteration with differences in the bean processing method. The obtained results demonstrate that the use of the global PLSR model is better in predicting the level of corn adulteration. The error prediction for this global model is acceptable with low RMSEP and bias for both individual and combined prediction samples. The obtained RPDp and RERp in prediction for the global PLSR model are more than two and five for individual and combined samples, respectively. The proposed method using UV–Vis spectroscopy with a global PLSR model can be applied to quantify the level of corn adulteration in peaberry ground roasted coffee with different bean processing methods.

Nondestructive Detection of Weight Loss Rate, Surface Color, Vitamin C Content, and Firmness in Mini-Chinese Cabbage with Nanopackaging by Fourier Transform-Near Infrared Spectroscopy

A nondestructive optical method is described for the quality assessment of mini-Chinese cabbage with nanopackaging during its storage, using Fourier transform-near infrared (FT-NIR) spectroscopy. The sample quality attributes measured included weight loss rate, surface color index, vitamin C content, and firmness. The level of freshness of the mini-Chinese cabbage during storage was divided into three categories. Partial least squares regression (PLSR) and the least squares support vector machine were applied to spectral datasets in order to develop prediction models for each quality attribute. For a comparative analysis of performance, the five preprocessing methods applied were standard normal variable (SNV), first derivative (lst), second derivative (2nd), multiplicative scattering correction (MSC), and auto scale. The SNV-PLSR model exhibited the best prediction performance for weight loss rate (Rp2 = 0.96, RMSEP = 1.432%). The 1st-PLSR model showed the best prediction performance for L* value (Rp2 = 0.89, RMSEP = 3.25 mg/100 g), but also the lowest accuracy for firmness (Rp2 = 0.60, RMSEP = 2.453). The best classification model was able to predict freshness levels with 88.8% accuracy in mini-Chinese cabbage by supported vector classification (SVC). This study illustrates that the spectral profile obtained by FT-NIR spectroscopy could potentially be implemented for integral assessments of the internal and external quality attributes of mini-Chinese cabbage with nanopacking during storage.

Determination and Quantification of Heavy Metals in Sediments through Laser-Induced Breakdown Spectroscopy and Partial Least Squares Regression

Conventional analysis techniques and sample preprocessing methods for identifying trace metals in soil and sediment samples are costly and time-consuming. This study investigated the determination and quantification of heavy metals in sediments by using a Laser-Induced Breakdown Spectroscopy (LIBS) system and multivariate chemometric analysis. Principle Component Analysis (PCA) was conducted on the LIBS spectra at the emission lines of 11 selected elements (Al, Ca, Cd, Cr, Fe, K, Mg, Na, Ni, Pb, and Si). The results showed apparent clustering of four types of sediment samples, suggesting the possibility of application of the LIBS technique for distinguishing different types of sediments. Mainly, the Cd, Cr, and Pb concentrations in the sediments were analyzed. A data-smoothing method—namely, the Savitzky–Golay (SG) derivative—was used to enhance the performance of the Partial Least Squares Regression (PLSR) model. The performance of the PLSR model was evaluated in terms of the coefficient of determination (R2), Root Mean Square Error of Calibration (RMSEC), and Root Mean Square Error of Cross Validation (RMSECV). The results obtained using the PLSR with the SG derivative were improved in terms of the R2 and RMSECV, except for Cr. In particular, the results for Cd obtained with the SG derivative showed a decrease of 25% in the RMSECV value. This demonstrated that the PLSR model with the SG derivative is suitable for the quantitative analysis of metal components in sediment samples and can play a significant role in controlling and managing the water quality of rivers.

Estimation and Comparative Analysis of Daily Reference Evapotranspiration Based on Different Input Combinations and Different Models

Daily reference evapotranspiration (ET0) is the most crucial link in estimating crop water demand. In this study, Levenberg-Marquardt (L-M), Genetic Algorithm-Back Propagation (GA-BP) and Partial Least Squares Regression (PLSR) models were introduced to calculate the ET0 values, Based on the Pearson Correlation analysis method, five meteorological factors were obtained, which were combined into six different input scenarios. Compared with the values that calculated by the the Penman Monteith (PM) formula. Root Mean Square Error (RMSE), Mean Absolute Error (MAE), Nash-Sutcliffe Efficiency (NSE), and Scatter Index (SI) were used to evaluate the simulation performance of the models. The results showed that the simulation effect of the L-M model is better than that of the GA-BP model and PLSR model in all scenarios. PLSR model has the worst performance. The SI index of L-M6 was 46.69% lower than that of GA-BP6 and 65.78% lower than that of PLSR6. When the input factors are 3, the simulation effect of the input wind speed, the maximum temperature and the minimum temperature is the best. L-M model and GA-BP model can predict the ET0 in the region with a lack of meteorological data. This study provides an important reference for high-precision prediction of ET0 under different input combinations of meteorological factors.

Nondestructive Analysis of Internal Quality in Pears with a Self-Made Near-Infrared Spectrum Detector Combined with Multivariate Data Processing

The consumption of pears has increased, thanks not only to their delicious and juicy flavor, but also their rich nutritional value. Traditional methods of detecting internal qualities (e.g., soluble solid content (SSC), titratable acidity (TA), and taste index (TI)) of pears are reliable, but they are destructive, time-consuming, and polluting. It is necessary to detect internal qualities of pears rapidly and nondestructively by using near-infrared (NIR) spectroscopy. In this study, we used a self-made NIR spectrum detector with an improved variable selection algorithm, named the variable stability and cluster analysis algorithm (VSCAA), to establish a partial least squares regression (PLSR) model to detect SSC content in snow pears. VSCAA is a variable selection method based on the combination of variable stability and cluster analysis to select the infrared spectrum variables. To reflect the advantages of VSCAA, we compared the classical variable selection methods (synergy interval partial least squares (SiPLS), genetic algorithm (GA), successive projections algorithm (SPA), and bootstrapping soft shrinkage (BOSS)) to extract useful wavelengths. The PLSR model, based on the useful variables selected by SiPLS-VSCAA, was optimal for measuring SSC in pears, and the correlation coefficient of calibration (Rc), root mean square error of cross validation (RMSECV), correlation coefficient of prediction (Rp), root mean square error of prediction (RMSEP), and residual predictive deviation (RPD) were 0.942, 0.198%, 0.936, 0.222%, and 2.857, respectively. Then, we applied these variable selection methods to select the characteristic wavelengths for measuring the TA content and TI value in snow pears. The prediction PLSR models, based on the variables selected by GA-BOSS to measure TA and that by GA-VSCAA to detect TI, were the best models, and the Rc, RMSECV, Rp and RPD were 0.931, 0.124%, 0.912, 0.151%, and 2.434 and 0.968, 0.080%, 0.968, 0.089%, and 3.775, respectively. The results showed that the self-made NIR-spectrum detector based on a portable NIR spectrometer with multivariate data processing was a good tool for rapid and nondestructive analysis of internal quality in pears.

PENERAPAN METODE PARTIAL LEAST SQUARE REGRESSION (PLSR) PADA KASUS SKIZOFRENIA

Partial Least Square Regression (PLSR) is a method that combines principal component analysis and multiple linear regression, which aims to predict or analyze the dependent variable and more than one independent variable. The purpose of this study is to determine the equation model for the recurrence of schizophrenia patients using the PLSR method. The best number of components to form a PLSR model in this study is one component with a minimum RMSEP value of 0.6094 and an adjR2 value of 80.09 percent.

How similar is “similar,” or what is the best measure of soil spectral and physiochemical similarity?

Spectral similarity indices were used to select similar soil samples from a spectral library and improve the predictive accuracy of target samples. There are many similarity indices available, and precisely how to select the optimum index has become a critical question. Five similarity indices were evaluated: Spectral angle mapper (SAM), Euclidean distance (ED), Mahalanobis distance (MD), SAM_pca and ED_pca in the space of principal components applied to a global soil spectral library. The accordance between spectral and compositional similarity was used to select the optimum index. Then the optimum index was evaluated if it can maintain the greatest predictive accuracy when selecting similar samples from a spectral library for the prediction of a target sample using a partial least squares regression (PLSR) model. The evaluated physiochemical properties were: soil organic carbon, pH, cation exchange capacity (CEC), clay, silt, and sand content. SAM and SAM_pca selected samples were closer in composition compared to the target samples. Based on similar samples selected using these two indices, PLSR models achieved the highest predictive accuracy for all soil properties, save for CEC. This validates the hypothesis that the accordance information between spectral and compositional similarity can help select the appropriate similarity index when selecting similar samples from a spectral library for prediction.