Principal Component Regression Research Articles

Improving the robustness of the Sequentially Optimized Reconstruction Strategy (SORS) for visual field testing.

Perimetry, or visual field test, estimates differential light sensitivity thresholds across many locations in the visual field (e.g., 54 locations in the 24-2 grid). Recent developments have shown that an entire visual field may be relatively accurately reconstructed from measurements of a subset of these locations using a linear regression model. Here, we show that incorporating a dimensionality reduction layer can improve the robustness of this reconstruction. Specifically, we propose to use principal component analysis to transform the training dataset to a lower dimensional representation and then use this representation to reconstruct the visual field. We named our new reconstruction method the transformed-target principal component regression (TTPCR). When trained on a large dataset, our new method yielded results comparable with the original linear regression method, demonstrating that there is no underfitting associated with parameter reduction. However, when trained on a small dataset, our new method used on average 22% fewer trials to reach the same error. Our results suggest that dimensionality reduction techniques can improve the robustness of visual field testing reconstruction algorithms.

Quantitative determination of the carbonyl value in frying oils based on LF-NMR combined with chemometrics

Low-field nuclear magnetic resonance (LF-NMR) combined with chemometrics was used for the rapidly and nondestructively quantitative determination of carbonyl value (CV) of frying oils during frying process. The quality indices of frying oils during frying process were analyzed as well as the changes of its LF-NMR signal, followed by exploring the correlation between the quality indices of frying oils and the relaxation-characteristic indices and investigating the influences of modeling data and preprocessing methods on the modeling performance. Based on the echo decay curves data of LF-NMR and the relaxation-characteristic indices data, the prediction model of CV was established by partial least square (PLS), principal component regression (PCR), multiple linear regression (MLR), and support vector machine regression (SVR). Results showed that there was a significant correlation between CV and relaxation-characteristic indices (p<0.01) with both modeling data and preprocessing methods affecting the model performance. The prediction performance of non-linear SVR model was significantly superior to that of linear modeling methods (PLS, PCR, and MLR). The best prediction model of CV was built using the SVR method based on echo decay curves data. The root mean square error of prediction and coefficient of determination were 2.599 mmol/kg and 0.9873, respectively.

Quantification of caffeine in coffee cans using electrochemical measurements, machine learning, and boron-doped diamond electrodes.

Electrochemical measurements, which exhibit high accuracy and sensitivity under low contamination, controlled electrolyte concentration, and pH conditions, have been used in determining various compounds. The electrochemical quantification capability decreases with an increase in the complexity of the measurement object. Therefore, solvent pretreatment and electrolyte addition are crucial in performing electrochemical measurements of specific compounds directly from beverages owing to the poor measurement quality caused by unspecified noise signals from foreign substances and unstable electrolyte concentrations. To prevent such signal disturbances from affecting quantitative analysis, spectral data of voltage-current values from electrochemical measurements must be used for principal component analysis (PCA). Moreover, this method enables highly accurate quantification even though numerical data alone are challenging to analyze. This study utilized boron-doped diamond (BDD) single-chip electrochemical detection to quantify caffeine content in commercial beverages without dilution. By applying PCA, we integrated electrochemical signals with known caffeine contents and subsequently utilized principal component regression to predict the caffeine content in unknown beverages. Consequently, we addressed existing research problems, such as the high quantification cost and the long measurement time required to obtain results after quantification. The average prediction accuracy was 93.8% compared to the actual content values. Electrochemical measurements are helpful in medical care and indirectly support our lives.

Electronic waste analysis using laser-induced breakdown spectroscopy (LIBS) and X-ray fluorescence (XRF): Critical evaluation of data fusion for the determination of Al, Cu and Fe

BackgroundElectronic waste (e-waste) proliferation and its implications underscore the imperative for advanced analytical methods to mitigate its environmental impact. It is estimated that e-waste production stands at a staggering 20–50 million tons yearly, of which merely 20–25% undergo formal recycling. The e-waste samples evaluated contain computers, laptops, smartphones, and tablets. ResultsForty-one samples were processed, involving the disassembly and separation of components. Subsequently, two analytical techniques, laser-induced breakdown spectroscopy (LIBS) and energy dispersive X-ray fluorescence (ED-XRF), were applied to quantify aluminum (Al), copper (Cu), and iron (Fe) in the e-waste samples. The samples were then analyzed after acid mineralization with 50% v v−1 aqua regia in a digester block and finally by ICP OES. A solid residue composed of Si and Ti was observed after the digestion of the samples. Multivariate calibration strategies such as partial least-squares regression (PLS), principal component regression (PCR), maximum likelihood principal component regression (MLPCR), and error covariance penalized regression (ECPR) were used for calibration. Finally, the figures of merit were calculated to verify the most suitable models. The results revealed robust models with notable sensitivity, varying from 8.98 to 35.04 Signal (a.u.)(% w w−1) −1, low Limits of Detection (LoD) within the range of 0.001–0.2 % w w−1, and remarkable relative errors ranging from 2% to 33%, particularly for Cu and Fe. SignificanceNotably, the models for Al faced inherent challenges, thus highlighting the complexities associated with its quantification in e-waste samples. In conclusion, this research represents an important step toward a more sustainable and efficient future for electronic waste recycling, signifying its relevance to global environmental welfare and resource conservation.

Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics

Montelukast sodium (MLK) and Levocetirizine dihydrochloride (LCZ) are widely prescribed medications with promising therapeutic potential against COVID-19. However, existing analytical methods for their quantification are unsustainable, relying on toxic solvents and expensive instrumentation. Herein, we pioneer a green, cost-effective chemometrics approach for MLK and LCZ analysis using UV spectroscopy and intelligent multivariate calibration. Following a multilevel multifactor experimental design, UV spectral data was acquired for 25 synthetic mixtures and modeled via classical least squares (CLS), principal component regression (PCR), partial least squares (PLS), and genetic algorithm-PLS (GA-PLS) techniques. Latin hypercube sampling (LHS) strategically constructed an optimal validation set of 13 mixtures for unbiased predictive performance assessment. Following optimization of the models regarding latent variables (LVs) and wavelength region, the optimum root mean square error of cross-validation (RMSECV) was attained at 2 LVs for the 210–400 nm spectral range (191 data points). The GA-PLS model demonstrated superb accuracy, with recovery percentages (R%) from 98 to 102% for both analytes, and root mean square error of calibration (RMSEC) and prediction (RMSEP) of (0.0943, 0.1872) and (0.1926, 0.1779) for MLK and LCZ, respectively, as well bias-corrected mean square error of prediction (BCMSEP) of -0.0029 and 0.0176, relative root mean square error of prediction (RRMSEP) reaching 0.7516 and 0.6585, and limits of detection (LOD) reaching 0.0813 and 0.2273 for MLK and LCZ respectively. Practical pharmaceutical sample analysis was successfully confirmed via standard additions. We further conducted pioneering multidimensional sustainability evaluations using state-of-the-art greenness, blueness, and whiteness tools. The method demonstrated favorable environmental metrics across all assessment tools. The obtained Green National Environmental Method Index (NEMI), and Complementary Green Analytical Procedure Index (ComplexGAPI) quadrants affirmed green analytical principles. Additionally, the method had a high Analytical Greenness Metric (AGREE) score (0.90) and a low carbon footprint (0.021), indicating environmental friendliness. We also applied blueness and whiteness assessments using the high Blue Applicability Grade Index (BAGI) and Red–Green–Blue 12 (RGB 12) algorithms. The high BAGI (90) and RGB 12 (90.8) scores confirmed the method's strong applicability, cost-effectiveness, and sustainability. This work puts forward an optimal, economically viable green chemistry paradigm for pharmaceutical quality control aligned with sustainable development goals.

Predicting health outcomes with intensive longitudinal data collected by mobile health devices: a functional principal component regression approach

BackgroundIntensive longitudinal data (ILD) collected in near real time by mobile health devices provide a new opportunity for monitoring chronic diseases, early disease risk prediction, and disease prevention in health research. Functional data analysis, specifically functional principal component analysis, has great potential to abstract trends in ILD but has not been used extensively in mobile health research.ObjectiveTo introduce functional principal component analysis (fPCA) and demonstrate its potential applicability in estimating trends in ILD collected by mobile heath devices, assessing longitudinal association between ILD and health outcomes, and predicting health outcomes.MethodsfPCA and scalar-to-function regression models were reviewed. A case study was used to illustrate the process of abstracting trends in intensively self-measured blood glucose using functional principal component analysis and then predicting future HbA1c values in patients with type 2 diabetes using a scalar-to-function regression model.ResultsBased on the scalar-to-function regression model results, there was a slightly increasing trend between daily blood glucose measures and HbA1c. 61% of variation in HbA1c could be predicted by the three preceding months’ blood glucose values measured before breakfast (P < 0.0001, \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${R}_{adjusted}^{2}=0.61$$\\end{document}).ConclusionsFunctional data analysis, specifically fPCA, offers a unique tool to capture patterns in ILD collected by mobile health devices. It is particularly useful in assessing longitudinal dynamic association between repeated measures and outcomes, and can be easily integrated in prediction models to improve prediction precision.

Improved monthly streamflow prediction using integrated multivariate adaptive regression spline with K-means clustering: implementation of reanalyzed remote sensing data

AbstractThis study investigates monthly streamflow modeling at Kale and Durucasu stations in the Black Sea Region of Turkey using remote sensing data. The analysis incorporates key meteorological variables, including air temperature, relative humidity, soil wetness, wind speed, and precipitation. The study also investigates the accuracy of multivariate adaptive regression (MARS) with Kmeans clustering (MARS-Kmeans) by comparing it with single MARS, M5 model tree (M5Tree), random forest regression (RF), multilayer perceptron neural network (MLP). In the first modeling stage, principal component regression is applied to diverse input combinations, both with and without lagged streamflow (Q), resulting in twenty-three and twenty input combinations, respectively. Results demonstrate the critical role of including lagged Q for improved model accuracy, as models without lagged Q exhibit significant performance degradation. The second stage involves a comparative analysis of the MARS-Kmeans model with other machine-learning models, utilizing the best-input combination. MARS-Kmeans, incorporating three clusters, consistently outperforms other models, showcasing superior accuracy in predicting monthly streamflow.

Forecasting wine phenolic composition from infrared spectra of grapes extracts and monitoring of fermentations with optimised time-specific prediction models

Incorporating monitoring and forecasting technologies has the potential to enhance the different aspects of winemaking. By monitoring certain chemical parameters, it is possible to evaluate the progress of the fermentation and phenolic extraction, while also detecting deviations from expected behaviour. This study aims to investigate the development of a rapid forecasting method and different strategies to improve the accuracy of process monitoring. The first part involves the introduction of partial least squares (PLS) calibration models able to forecast the trajectories of phenolic extraction during fermentation using grape extract spectra. Additionally, novel methods for reoptimizing calibration models are proposed, with the intention of increasing the prediction accuracy. Whilst this method is transferable to PLS models, principal component regression (PCR) models were used instead as a more simplistic way to test the new methods. First, dynamic PCR linear regression coefficients were adapted over time to capture the compound evolution in the wine matrix. Secondly, PCR calibration models were reoptimized using interpolated spectral and reference data. The forecasting PLS calibration models have shown promising results for total anthocyanin content (mg/L), colour density, polymeric pigments (mg/L), MCP tannins (mg/L), and total phenolic index with overall R2 values on the validation set above 0.6, and low RSMEV values. Using interpolated data to re-optimise models was found to be more effective than global models or those using the calculated regression coefficients methods for predicting the concentration of a particular compound at a certain time point. While R2 values are suboptimal for all considered PCR models, in 72% of the cases analysed, the interpolation method for re-optimisation showed RMSEV values between 6% and 83% lower than those reported for a more traditional PCR model and other re-optimisation strategies. Interpolated models have shown consistency in predicting values, along with good performance metrics, indicating that they could be applied to samples for which calibration models do not exist.

Application of advanced very high-resolution radiometer (AVHRR)-based vegetation health indices for modelling and predicting malaria in Northern Benin, West Africa

BackgroundVegetation health (VH) is a powerful characteristic for forecasting malaria incidence in regions where the disease is prevalent. This study aims to determine how vegetation health affects the prevalence of malaria and create seasonal weather forecasts using NOAA/AVHRR environmental satellite data that can be substituted for malaria epidemic forecasts.MethodsWeekly advanced very high-resolution radiometer (AVHRR) data were retrieved from the NOAA satellite website from 2009 to 2021. The monthly number of malaria cases was collected from the Ministry of Health of Benin from 2009 to 2021 and matched with AVHRR data. Pearson correlation was calculated to investigate the impact of vegetation health on malaria transmission. Ordinary least squares (OLS), support vector machine (SVM) and principal component regression (PCR) were applied to forecast the monthly number of cases of malaria in Northern Benin. A random sample of proposed models was used to assess accuracy and bias.ResultsEstimates place the annual percentage rise in malaria cases at 9.07% over 2009–2021 period. Moisture (VCI) for weeks 19–21 predicts 75% of the number of malaria cases in the month of the start of high mosquito activities. Soil temperature (TCI) and vegetation health index (VHI) predicted one month earlier than the start of mosquito activities through transmission, 78% of monthly malaria incidence.ConclusionsSVM model D is more effective than OLS model A in the prediction of malaria incidence in Northern Benin. These models are a very useful tool for stakeholders looking to lessen the impact of malaria in Benin.

Post-harvest regeneration is driven by ecological factors rather than wood procurement intensity in eastern Canadian forests

Abstract Biomass from surplus forest growth that is not harvested for wood supply of conventional industries can be an important source of feedstock for bioenergy. Its procurement can be integrated with little effort into current harvest operations. However, the increasing harvesting intensity to meet greater demand for biomass procurement can impact forest ecosystem functions because of its direct and indirect effects on woody debris and the regeneration of next-rotation stands. In this context, we aimed to determine the relationships between wood procurement intensity, woody debris inputs, and regeneration success over 2 years after harvesting. We tested four treatments of increasing wood procurement intensity using a randomized block design within six experimental sites along a gradient of varying forest characteristics of boreal and temperate forests. We assessed stand characteristics in terms of standing trees, woody debris, and regeneration pre- and post-harvest. We used mixed effects models to evaluate (i) the effects of wood procurement intensity and pre-harvest stand characteristics on the volume and cover of woody debris and (ii) the specific influence of woody debris on the presence of suitable planting microsites post-harvest. Furthermore, we used principal component regressions to explore the relationships between harvesting intensity and the presence of natural regeneration and competing vegetation as a function of pre- and post-harvest stand characteristics (iii). Our results showed that increasing wood procurement intensity reduced the volume of post-harvest woody debris while having a limited effect on regeneration. Increasing harvesting intensity had a negligible effect on suitable planting microsites in hardwood-dominated stands but it increased their presence in conifer-dominated stands. Natural regeneration and competing vegetation were mainly related to stand characteristics, and only broadleaf regeneration was sensitive to harvest intensity. We conclude that the relationships between wood procurement intensity and regeneration are complex and rely mainly on stand characteristics rather than wood procurement needs.

ANALYSIS OF SOME HEAVY METALS LEVEL IN ISPARTA'S DRINKING WATER USING UV SPECTROPHOTOMETRY AND PRINCIPAL COMPONENT REGRESSION

Background: Heavy metals, which are likely to be found in natural water samples, can cause some discomfort when taken into the body in high amounts. The aim of this study is to create complexes of iron, copper and cadmium, which are major heavy metals that can be found in natural water samples, with ammonium pyrrolidine dithiocarbamate (APDC) chelate, to analyze these complexes with UV-Spectrophotometry after the optimum conditions to be created in water samples, and to apply the principal component regression chemometric method to the data obtained here. Method: In the applied spectrophotometric method, complexes of each heavy metal were first formed with APDC. Then, appropriate mixtures of these complexes were prepared and their spectra were recorded. Principal component regression chemometric method was applied to the data obtained. Results: Very consistent results of the chemometric method applied to the data obtained in the spectrophotometric analysis of the complexes of the heavy metals studied after providing optimum conditions were observed. Conclusion: It can be stated that the method developed in the research and the chemometric method applied to the data obtained from here can be easily applied in routine water analysis.                        Peer Review History: Received 10 December 2023;   Revised 29  January 2024; Accepted 3 March; Available online 15 March 2024 Academic Editor: Dr. Emmanuel O. Olorunsola, Department of Pharmaceutics &amp; Pharmaceutical Technology, University of Uyo, Nigeria, olorunsolaeo@yahoo.com Average Peer review marks at initial stage: 6.0/10 Average Peer review marks at publication stage: 7.0/10 Reviewers: Dr. Dennis Amaechi, MrsFoluBabade Mini Estate , Flat 5 by Old Soldiers Quarter, Sabongari/Bwari, Abuja- Federal Capital Territory, Nigeria. amaechitoexcel@yahoo.com  Dr. Wafa Mohamed Al Madhagi, Sana’a University, Yemen, walmadhaji1983@gmail.com Prof. Cyprian Ogbonna ONYEJI, Obafemi Awolowo University, Ile-Ife, Nigeria, conyeji@oauife.edu.ng

A comparative analysis of univariate versus multivariate eco-friendly spectrophotometric manipulations for resolving severely overlapped spectra of vonoprazan and amoxicillin new combination

Vonoprazan and amoxicillin are pharmacological combinations that demonstrate synergistic effects in treating Helicobacter pylori (H. pylori), a global public health concern associated with peptic ulcer disease and gastric cancer. Four spectrophotometric methods were developed, including two univariate techniques (Fourier self-deconvolution and ratio difference) and two multivariate chemometric approaches (partial least squares and principal component regression). These methods provide innovative solutions for effectively resolving and accurately quantifying the overlapping spectra of vonoprazan and amoxicillin. The concentration ranges covered were 3–60 μg ml−1 for vonoprazan and 5–140 μg ml−1 for amoxicillin. To assess the environmental sustainability of the methodologies, various measures such as the Green Analytical Procedure Index (GAPI), National Environmental Method Index (NEMI), Analytical GREEnness Calculator, and Analytical Eco-scale, as well as RGB12 and hexagon toll were implemented. The validation of the developed techniques was carried out in compliance with ICH standards. The present study is highly significant because it is the first time that the mixture has been determined using the current approaches. The comparative analysis demonstrated no significant difference in terms of accuracy and precision compared to reference HPLC method (p = 0.05). The established spectrophotometric methods offer a straightforward, rapid, and cost-effective alternative to complex analytical techniques for determining the vonoprazan and amoxicillin mixture. They show potential for routine analysis in research laboratories and pharmaceutical industries.

Spider chart, greenness and whiteness assessment of experimentally designed multivariate models for simultaneous determination of three drugs used as a combinatory antibiotic regimen in critical care units: Comparative study

In this study, five earth-friendly spectrophotometric methods using multivariate techniques were developed to analyze levofloxacin, linezolid, and meropenem, which are utilized in critical care units as combination therapies. These techniques were used to determine the mentioned medications in laboratory-prepared mixtures, pharmaceutical products and spiked human plasma that had not been separated before handling. These methods were named classical least squares (CLS), principal component regression (PCR), partial least squares (PLS), genetic algorithm partial least squares (GA-PLS), and artificial neural network (ANN). The methods used a five-level, three-factor experimental design to make different concentrations of the antibiotics mentioned (based on how much of them are found in the plasma of critical care patients and their linearity ranges). The approaches used for levofloxacin, linezolid, and meropenem were in the ranges of 3–15, 8–20, and 5–25 µg/mL, respectively. Several analytical tools were used to test the proposed methods' performance. These included the root mean square error of prediction, the root mean square error of cross-validation, percentage recoveries, standard deviations, and correlation coefficients. The outcome was highly satisfactory. The study found that the root mean square errors of prediction for levofloxacin were 0.090, 0.079, 0.065, 0.027, and 0.001 for the CLS, PCR, PLS, GA-PLS, and ANN models, respectively. The corresponding values for linezolid were 0.127, 0.122, 0.108, 0.05, and 0.114, respectively. For meropenem, the values were 0.230, 0.222, 0.179, 0.097, and 0.099 for the same models, respectively. These results indicate that the developed models were highly accurate and precise. This study compared the efficiency of artificial neural networks and classical chemometric models in enhancing spectral data selectivity for quickly identifying three antimicrobials. The results from these five models were subjected to statistical analysis and compared with each other and with the previously published ones. Finally, the whiteness of the methods was assessed by the recently published white analytical chemistry (WAC) RGB 12, and the greenness of the proposed methods was assessed using AGREE, GAPI, NEMI, Raynie and Driver, and eco-scale, which showed that the suggested approaches had the least negative environmental impact. Furthermore, to demonstrate solvent sustainability, a greenness index using a spider chart methodology was employed.

Low-carbon-oriented commercial district urban form optimization and impact assessment analysis

Commercial buildings have become one of the main sources of carbon emissions. However, the current research on urban form optimization has lacked analyses of the low-carbon indicators of buildings. With the Beijing commercial district as an example, a low-carbon-oriented urban form optimization path is established in this study, and a new method of urban form optimization is developed from a low-carbon perspective. With the help of the parametric platform and multiobjective optimization algorithm, a dynamic optimization model of urban morphology based on parametric modeling, numerical simulation and algorithm optimization is developed, and the morphological characteristics of low-carbon commercial blocks in Beijing are assessed with a Pareto-optimal solution set. Through principal component regression analysis, the correlations between urban form factors and low-carbon evaluation indicators are discussed. The study shows that the multiobjective optimization algorithm effectively optimizes the low-carbon indicators of buildings at the block scale. The urban forms obtained from the Pareto solution set display several commonalities reflected from three perspectives: building type, vertical dimension and building orientation. It is found that the optimal block layout form reduces the building carbon emission intensity and the building outer skin radiation difference, and the renewable energy-based carbon reduction is large. The urban form factors that have a significant impact on the carbon emission intensity of buildings include the maintenance coefficients, the average area to perimeter ratio, and the sky view factor, with respective impact coefficients of 0.301, −0.309, and −0.319.

China’s inflation forecasting in a data-rich environment: based on machine learning algorithms

ABSTRACT Inflation forecasting stands as a central concern in macroeconomics. This paper focuses on predicting China’s inflation within a data-rich environment. Specifically, we compile a large panel of China’s monthly macroeconomic and financial variables, employing various machine learning models on this predictor panel to forecast China’s inflation, encompassing both CPI and PPI, across various forecasting horizons extending up to 24 months. Our findings indicate the following: First, the machine learning models, when coupled with a large dataset of macroeconomic and financial predictors, demonstrate a superior ability to forecast China’s inflation compared to benchmark time series models and principal component regression models. These advantages become even more notable at medium-to-long horizons and during periods of high inflation volatility, as well as CPI/PPI divergence periods. Second, our experiments reveal that penalized linear regression models, such as ridge and elastic net, consistently outperform the benchmarks and nonlinear machine learning methods in most cases. Lastly, variables related to price, stock, and money & credit are identified as the most crucial factors for forecasting inflation in China.

Sustainable chemometric methods boosted by Latin hypercube technique for quantifying the recently FDA-approved combination of bupivacaine and meloxicam in the presence of bupivacaine carcinogenic impurity: Comprehensive greenness, blueness, and whiteness assessments

Addressing sustainability requires developing analytical methods that minimize hazards, waste, and energy utilization per the principles of green and white chemistry. Herein, we present a sustainable spectrophotometric chemometrics technique for quantifying the recently approved Bupivacaine (BUP) and Meloxicam (MEL) combination and the potential BUP carcinogen, 2,6-dimethylaniline (DMA). Our models, including partial least squares (PLS), principal component regression (PCR), genetic algorithm-PLS (GA-PLS), and GA-PCR, were established through a comprehensive experimental design involving 25 mixtures as the calibration set. A key innovation is the utilization of the Latin Hypercube Sampling (LHS) technique, which enables the creation of a robust validation set for evaluating the performance and generalizability of these models. The GA-PLS model demonstrated excellent accuracy, with recovery percentages (R%) from 98 to 102% for all analytes, and root mean square error of calibration (RMSEC) and prediction (RMSEP) of (0.097, 0.050, and 0.112) and (0.119, 0.044 and 0.131) for BUP, DMA, and MEL, respectively. The model also showed a negligible bias-corrected mean square error of prediction (BCMSEP) of (-0.014, −0.003, and 0.018), with relative root mean square error of prediction (RRMSEP) reaching (0.992, 0.752, and 0.659), and limits of detection (LOD) reaching (0.153, 0.081, and 0227) for BUP, DMA, and MEL, respectively. Comprehensive greenness, blueness, and whiteness assessments were performed and compared between the suggested and reported methods. This research pioneers a green–blue-white alternative to conventional approaches, serving as a model for developing sustainable techniques that reduce the usage of resources and chemical waste while meeting the global appeal for environmentally accountable solutions.

Application of smart chemometric models for spectra resolution and determination of challenging multi-action quaternary mixture: statistical comparison with greenness assessment

A multivariate spectrophotometric method is a potential approach that enables discrimination of spectra of components in complex matrices (e.g., pharmaceutical formulation) serving as a substitution method for chromatography. Four green smart multivariate spectrophotometric models were proposed and validated, including principal component regression (PCR), partial least-squares (PLS), multivariate curve resolution-alternating least squares (MCR-ALS), and artificial neural networks (ANN). The developed chemometric models were compared to resolve highly overlapping spectra of Paracetamol (PARA), Chlorpheniramine maleate (CPM), Caffeine (CAF), and Ascorbic acid (ASC). The four multivariate calibration models were assessed via recoveries percent, and root mean square error of prediction. Hence, the proposed models were efficiently applied with no need for any preliminary separation step. The models were utilized to analyze the studied components in their combined pharmaceutical formulation (Grippostad® C capsules). Analytical GREEnness Metric Approach (AGREE) and eco-scale tools were applied to assess the greenness of the established models and found to be 0.77 and 85, respectively. Moreover, the proposed models have been compared to official ones showing no considerable variations in accuracy and precision. Therefore, these models can be highly advantageous for conducting standard pharmaceutical analysis of the substances researched within product testing laboratories.

Day‐To‐Day Variability of the Neutral Wind Dynamo Observed by ICON: First Results From Conjugate Observations

AbstractFirst results are presented from the conjugate maneuvers performed by NASA's Ionospheric Connection Explorer (ICON) spacecraft. During each several‐minute maneuver, ICON crosses the magnetic equator, measuring the plasma drift at the ∼600‐km apex of a magnetic field line and the neutral wind profiles (∼90–300 km altitude) along both ends of that field line. The analysis utilizes 149 pairs of maneuvers separated by ∼24 hr but at nearly the same location and local time. Principal component regression reveals that 39 ± 7% and 24 ± 9% of the day‐to‐day variance in the daytime vertical and zonal drift, respectively, is attributable to conjugate neutral winds. The remaining variance is likely driven by external potentials from non‐conjugate winds and geomagnetic activity (median Kp 2−). Zonal winds at 100–113 km and &gt;120 km altitude are the primary drivers of conjugate vertical and zonal drift variance, respectively. These observations can test vertical‐coupling mechanisms in whole‐atmosphere models.

The Asymptotic Equivalence of Ridge and Principal Component Regression with Many Predictors

The asymptotic properties of ridge regression in large dimension are studied. Two key results are established. First, consistency and rates of convergence for ridge regression are obtained under assumptions which impose different rates of increase in the dimension n between the first n1 and the remaining n−n1 eigenvalues of the population covariance of the predictors. Second, it is proved that under the special and more restrictive case of an approximate factor structure, principal component and ridge regression have the same rate of convergence and the rate is faster than the one previously established for ridge.

Vis-NIR spectroscopy based rapid and non-destructive method to quantitate microplastics: An emerging contaminant in farm soil

Microplastics (MPs) is the second most important environmental issue and can potentially enter into food chain through farmland contamination and other means. There are no standardized extraction methods for quantification of MPs in soil. The embedded errors and biases generated serious problems regarding the comparability of different studies and leading to erroneous estimation. To address this gap, present study was formulated to develop an efficient method for MPs analysis suitable for a wide range of soil and organic matrices. A method based on Vis-NIR (Visible-Near Infra Red) spectroscopy is developed for four different soil belonging to Alfisol, Inceptisol, Mollisol and Vertisol and two organic matter matrices (FYM and Sludge). The developed method was found as rapid, reproducible, non-destructive and accurate method for estimation of all three-density groups of MPs (Low, Medium and High) with a prediction accuracy ranging from 1.9 g MPs/kg soil (Vertisol) to 3.7 g MPs/kg soil (Alfisol). Two different regression models [Partial Least Square Regression (PLSR) and Principal Component Regression (PCR)] were assessed and PLSR was found to provide better information in terms of prediction accuracy and minimum quantification limit (MQL). However, PCR performed better for organic matter matrices than PLSR. The method avoids any complicated sample preparation steps except drying and sieving thus saving time and acquisition of reflectance spectrum for single sample is possible within 18 s. Owing to have the minimum quantification limit ranging from 1.9–3.7 g/kg soil, the vis-NIR based method is perfectly suitable for estimation of MPs in soil samples collected from plastic pollution hotspots like landfill sites, regular based sludge amended farm soils. Additionally, the method can be adapted by small scale compost industries for assessing MPs load in product like city compost which are applied at agricultural fields and will be helpful in quantifying possible MPs at the sources itself.