Correlating Electronic Nose and Field Olfactometer for Industrial Odor Concentration Measurement Using PLS and MLR

Industrial odor concentration measurement in continuous mode is a challenging task using olfactometers, as it's expensive and requires human involvement for a prolonged time. This chapter presents the development of an indigenous metal oxide sensor-based electronic nose system for measurement of industrial odor in ou/m3. The results of electronic nose and field olfactometer were correlated using multilinear regression and partial least square regression techniques. The results showed satisfactory prediction by both the models, with RMSE (6.70, and 4.02), RAE (0.29 and 0.16), and NAE (0.89 and 0.96), respectively, for MLR and PLS. The results indicated better performance of PLS compared to MLR. The objective of the present work is to train and employ artificial olfaction system for continuous measurement of obnoxious emissions emitted from industries bypassing involvement of olfactometer.

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Estimation of strawberry firmness using hyperspectral imaging: a comparison of regression models

Journal of Spectral Imaging ◽

10.1255/jsi.2021.a3 ◽

2021 ◽

Author(s):

Binu Devassy ◽

Sony George

Keyword(s):

Hyperspectral Imaging ◽

Regression Models ◽

Partial Least Square ◽

Least Square ◽

Partial Least Square Regression ◽

Support Vector ◽

Regression Techniques ◽

Important Quality ◽

Non Destructive ◽

Better Than

Firmness is one of the most important quality measures of strawberries, and is related to other aspects of the fruit, such as flavour, ripeness and internal characteristics. The most popular method for measuring firmness is puncturing with a penetrometer, which is destructive and time-consuming. In the present study, we make an attempt to predict the firmness of strawberries in a fast, non-destructive and non-contact way using hyperspectral imaging (HSI) and data analysis with various regression techniques. The primary goal of this research is to investigate and compare the firmness prediction capability of seven prominent regression techniques. We have performed HSI data acquisition of 150 strawberries and optimised seven regression models using the spectral information to predict strawberry firmness. These models are linear, ridge, lasso, k-neighbours, random forest, support vector and partial least square regression. The res ults show that HSI data with regression models has the potential to predict firmness in a rapid, non-destructive manner. Out of these seven regression models, the k-neighbours regression model outperformed all other methods with a standard error of prediction of 0.14, which is better than that of the state-of-the-art results.

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Meat and Fish Freshness Assessment by a Portable and Simplified Electronic Nose System (Mastersense)

Sensors ◽

10.3390/s19143225 ◽

2019 ◽

Vol 19 (14) ◽

pp. 3225 ◽

Cited By ~ 11

Author(s):

Grassi ◽

Benedetti ◽

Opizzio ◽

Nardo ◽

Buratti

Keyword(s):

Electronic Nose ◽

Ad Hoc ◽

Low Cost ◽

Principal Component ◽

Partial Least Square ◽

Least Square ◽

Oxide Semiconductor ◽

Prediction Ability ◽

Nearest Neighbours ◽

Electronic Nose System

The evaluation of meat and fish quality is crucial to ensure that products are safe and meet the consumers’ expectation. The present work aims at developing a new low-cost, portable, and simplified electronic nose system, named Mastersense, to assess meat and fish freshness. Four metal oxide semiconductor sensors were selected by principal component analysis and were inserted in an “ad hoc” designed measuring chamber. The Mastersense system was used to test beef and poultry slices, and plaice and salmon fillets during their shelf life at 4 °C, from the day of packaging and beyond the expiration date. The same samples were tested for Total Viable Count, and the microbial results were used to define freshness classes to develop classification models by the K-Nearest Neighbours’ algorithm and Partial Least Square–Discriminant Analysis. All the obtained models gave global sensitivity and specificity with prediction higher than 83.3% and 84.0%, respectively. Moreover, a McNemar’s test was performed to compare the prediction ability of the two classification algorithms, which resulted in comparable values (p > 0.05). Thus, the Mastersense prototype implemented with the K-Nearest Neighbours’ model is considered the most convenient strategy to assess meat and fish freshness.

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Monitoring the Foliar Nutrients Status of Mango Using Spectroscopy-Based Spectral Indices and PLSR-Combined Machine Learning Models

Remote Sensing ◽

10.3390/rs13040641 ◽

2021 ◽

Vol 13 (4) ◽

pp. 641

Author(s):

Gopal Ramdas Mahajan ◽

Bappa Das ◽

Dayesh Murgaokar ◽

Ittai Herrmann ◽

Katja Berger ◽

...

Keyword(s):

Machine Learning ◽

Remote Sensing ◽

Partial Least Square ◽

Least Square ◽

Partial Least Square Regression ◽

Support Vector ◽

Spectral Indices ◽

Learning Models ◽

Leaf Nutrients ◽

Machine Learning Models

Conventional methods of plant nutrient estimation for nutrient management need a huge number of leaf or tissue samples and extensive chemical analysis, which is time-consuming and expensive. Remote sensing is a viable tool to estimate the plant’s nutritional status to determine the appropriate amounts of fertilizer inputs. The aim of the study was to use remote sensing to characterize the foliar nutrient status of mango through the development of spectral indices, multivariate analysis, chemometrics, and machine learning modeling of the spectral data. A spectral database within the 350–1050 nm wavelength range of the leaf samples and leaf nutrients were analyzed for the development of spectral indices and multivariate model development. The normalized difference and ratio spectral indices and multivariate models–partial least square regression (PLSR), principal component regression, and support vector regression (SVR) were ineffective in predicting any of the leaf nutrients. An approach of using PLSR-combined machine learning models was found to be the best to predict most of the nutrients. Based on the independent validation performance and summed ranks, the best performing models were cubist (R2 ≥ 0.91, the ratio of performance to deviation (RPD) ≥ 3.3, and the ratio of performance to interquartile distance (RPIQ) ≥ 3.71) for nitrogen, phosphorus, potassium, and zinc, SVR (R2 ≥ 0.88, RPD ≥ 2.73, RPIQ ≥ 3.31) for calcium, iron, copper, boron, and elastic net (R2 ≥ 0.95, RPD ≥ 4.47, RPIQ ≥ 6.11) for magnesium and sulfur. The results of the study revealed the potential of using hyperspectral remote sensing data for non-destructive estimation of mango leaf macro- and micro-nutrients. The developed approach is suggested to be employed within operational retrieval workflows for precision management of mango orchard nutrients.

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Blood Glucose Level Regression for Smartphone PPG Signals Using Machine Learning

Applied Sciences ◽

10.3390/app11020618 ◽

2021 ◽

Vol 11 (2) ◽

pp. 618

Author(s):

Tanvir Tazul Islam ◽

Md Sajid Ahmed ◽

Md Hassanuzzaman ◽

Syed Athar Bin Amir ◽

Tanzilur Rahman

Keyword(s):

Blood Glucose ◽

Blood Glucose Level ◽

Glucose Level ◽

Quantitative Estimation ◽

Partial Least Square ◽

Least Square ◽

Partial Least Square Regression ◽

Support Vector ◽

Frequency Noise ◽

Optical Noise

Diabetes is a chronic illness that affects millions of people worldwide and requires regular monitoring of a patient’s blood glucose level. Currently, blood glucose is monitored by a minimally invasive process where a small droplet of blood is extracted and passed to a glucometer—however, this process is uncomfortable for the patient. In this paper, a smartphone video-based noninvasive technique is proposed for the quantitative estimation of glucose levels in the blood. The videos are collected steadily from the tip of the subject’s finger using smartphone cameras and subsequently converted into a Photoplethysmography (PPG) signal. A Gaussian filter is applied on top of the Asymmetric Least Square (ALS) method to remove high-frequency noise, optical noise, and motion interference from the raw PPG signal. These preprocessed signals are then used for extracting signal features such as systolic and diastolic peaks, the time differences between consecutive peaks (DelT), first derivative, and second derivative peaks. Finally, the features are fed into Principal Component Regression (PCR), Partial Least Square Regression (PLS), Support Vector Regression (SVR) and Random Forest Regression (RFR) models for the prediction of glucose level. Out of the four statistical learning techniques used, the PLS model, when applied to an unbiased dataset, has the lowest standard error of prediction (SEP) at 17.02 mg/dL.

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A Novel Validated Injectable Colistimethate Sodium Analysis Combining Advanced Chemometrics and Design of Experiments

Molecules ◽

10.3390/molecules26061546 ◽

2021 ◽

Vol 26 (6) ◽

pp. 1546

Author(s):

Ioanna Dagla ◽

Anthony Tsarbopoulos ◽

Evagelos Gikas

Keyword(s):

Design Of Experiments ◽

High Performance ◽

Similarity Index ◽

Principal Component ◽

Partial Least Square ◽

Least Square ◽

Partial Least Square Regression ◽

Distance Measures ◽

Linear Regression Models ◽

Colistimethate Sodium

Colistimethate sodium (CMS) is widely administrated for the treatment of life-threatening infections caused by multidrug-resistant Gram-negative bacteria. Until now, the quality control of CMS formulations has been based on microbiological assays. Herein, an ultra-high-performance liquid chromatography coupled to ultraviolet detector methodology was developed for the quantitation of CMS in injectable formulations. The design of experiments was performed for the optimization of the chromatographic parameters. The chromatographic separation was achieved using a Waters Acquity BEH C8 column employing gradient elution with a mobile phase consisting of (A) 0.001 M aq. ammonium formate and (B) methanol/acetonitrile 79/21 (v/v). CMS compounds were detected at 214 nm. In all, 23 univariate linear-regression models were constructed to measure CMS compounds separately, and one partial least-square regression (PLSr) model constructed to assess the total CMS amount in formulations. The method was validated over the range 100–220 μg mL−1. The developed methodology was employed to analyze several batches of CMS injectable formulations that were also compared against a reference batch employing a Principal Component Analysis, similarity and distance measures, heatmaps and the structural similarity index. The methodology was based on freely available software in order to be readily available for the pharmaceutical industry.

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Histamine Control in Raw and Processed Tuna: A Rapid Tool Based on NIR Spectroscopy

Foods ◽

10.3390/foods10040885 ◽

2021 ◽

Vol 10 (4) ◽

pp. 885

Author(s):

Sergio Ghidini ◽

Luca Maria Chiesa ◽

Sara Panseri ◽

Maria Olga Varrà ◽

Adriana Ianieri ◽

...

Keyword(s):

Root Mean Square ◽

Near Infrared ◽

Nir Spectroscopy ◽

Partial Least Square ◽

Least Square ◽

Partial Least Square Regression ◽

Coefficient Of Determination ◽

Mean Square ◽

Tuna Fish ◽

Mean Square Errors

The present study was designed to investigate whether near infrared (NIR) spectroscopy with minimal sample processing could be a suitable technique to rapidly measure histamine levels in raw and processed tuna fish. Calibration models based on orthogonal partial least square regression (OPLSR) were built to predict histamine in the range 10–1000 mg kg−1 using the 1000–2500 nm NIR spectra of artificially-contaminated fish. The two models were then validated using a new set of naturally contaminated samples in which histamine content was determined by conventional high-performance liquid chromatography (HPLC) analysis. As for calibration results, coefficient of determination (r2) > 0.98, root mean square of estimation (RMSEE) ≤ 5 mg kg−1 and root mean square of cross-validation (RMSECV) ≤ 6 mg kg−1 were achieved. Both models were optimal also in the validation stage, showing r2 values > 0.97, root mean square errors of prediction (RMSEP) ≤ 10 mg kg−1 and relative range error (RER) ≥ 25, with better results showed by the model for processed fish. The promising results achieved suggest NIR spectroscopy as an implemental analytical solution in fish industries and markets to effectively determine histamine amounts.

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The inflammatory profile of cerebrospinal fluid, plasma, and saliva from patients with severe neuropathic pain and healthy controls-a pilot study

BMC Neuroscience ◽

10.1186/s12868-021-00608-5 ◽

2021 ◽

Vol 22 (1) ◽

Author(s):

Mika Jönsson ◽

Björn Gerdle ◽

Bijar Ghafouri ◽

Emmanuel Bäckryd

Keyword(s):

Cerebrospinal Fluid ◽

Neuropathic Pain ◽

Pain Intensity ◽

Principal Component ◽

Partial Least Square ◽

Least Square ◽

Partial Least Square Regression ◽

Therapeutic Interventions ◽

Healthy Controls ◽

Inflammatory Profile

Abstract Background Neuropathic pain (NeuP) is a complex, debilitating condition of the somatosensory system, where dysregulation between pro- and anti-inflammatory cytokines and chemokines are believed to play a pivotal role. As of date, there is no ubiquitously accepted diagnostic test for NeuP and current therapeutic interventions are lacking in efficacy. The aim of this study was to investigate the ability of three biofluids - saliva, plasma, and cerebrospinal fluid (CSF), to discriminate an inflammatory profile at a central, systemic, and peripheral level in NeuP patients compared to healthy controls. Methods The concentrations of 71 cytokines, chemokines and growth factors in saliva, plasma, and CSF samples from 13 patients with peripheral NeuP and 13 healthy controls were analyzed using a multiplex-immunoassay based on an electrochemiluminescent detection method. The NeuP patients were recruited from a clinical trial of intrathecal bolus injection of ziconotide (ClinicalTrials.gov identifier NCT01373983). Multivariate data analysis (principal component analysis and orthogonal partial least square regression) was used to identify proteins significant for group discrimination and protein correlation to pain intensity. Proteins with variable influence of projection (VIP) value higher than 1 (combined with the jack-knifed confidence intervals in the coefficients plot not including zero) were considered significant. Results We found 17 cytokines/chemokines that were significantly up- or down-regulated in NeuP patients compared to healthy controls. Of these 17 proteins, 8 were from saliva, 7 from plasma, and 2 from CSF samples. The correlation analysis showed that the most important proteins that correlated to pain intensity were found in plasma (VIP > 1). Conclusions Investigation of the inflammatory profile of NeuP showed that most of the significant proteins for group separation were found in the less invasive biofluids of saliva and plasma. Within the NeuP patient group it was also seen that proteins in plasma had the highest correlation to pain intensity. These preliminary results indicate a potential for further biomarker research in the more easily accessible biofluids of saliva and plasma for chronic peripheral neuropathic pain where a combination of YKL-40 and MIP-1α in saliva might be of special interest for future studies that also include other non-neuropathic pain states.

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Suggestions on the Contribution of Methyl Eugenol and Eugenol to Bay Laurel (Laurus nobilis L.) Essential Oil Preservative Activity through Radical Scavenging

Molecules ◽

10.3390/molecules26082342 ◽

2021 ◽

Vol 26 (8) ◽

pp. 2342

Author(s):

Nikolaos Nenadis ◽

Maria Papapostolou ◽

Maria Z. Tsimidou

Keyword(s):

Essential Oil ◽

Radical Scavenging Activity ◽

Pearson Correlation ◽

Radical Scavenging ◽

Methyl Eugenol ◽

Partial Least Square ◽

Least Square ◽

Partial Least Square Regression ◽

Positive Contribution ◽

Scavenging Activity

The present study examined the radical scavenging potential of the two benzene derivatives found in the bay laurel essential oil (EO), namely methyl eugenol (MEug) and eugenol (Eug), theoretically and experimentally to make suggestions on their contribution to the EO preservative activity through such a mechanism. Calculation of appropriate molecular indices widely used to characterize chain-breaking antioxidants was carried out in the gas and liquid phases (n-hexane, n-octanol, methanol, water). Experimental evidence was based on the DPPH• scavenging assay applied to pure compounds and a set of bay laurel EOs chemically characterized with GC-MS/FID. Theoretical calculations suggested that the preservative properties of both compounds could be exerted through a radical scavenging mechanism via hydrogen atom donation. Eug was predicted to be of superior efficiency in line with experimental findings. Pearson correlation and partial least square regression analyses of the EO antioxidant activity values vs. % composition of individual volatiles indicated the positive contribution of both compounds to the radical scavenging activity of bay laurel EOs. Eug, despite its low content in bay laurel EOs, was found to influence the most the radical scavenging activity of the latter.

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