Model Optimization and Stability of Hemoglobin Analysis in Human Soluble Blood Samples by FTIR/ATR Spectroscopy

2011 ◽  
Vol 55-57 ◽  
pp. 1168-1171
Author(s):  
Tao Pan ◽  
Ai Hong Peng ◽  
Wen Jie Huang
Keyword(s):  
Signal To Noise Ratio ◽  
Attenuated Total Reflection ◽  
Partial Least Square ◽  
Least Square ◽  
Model Optimization ◽  
Optimal Model ◽  
Blood Samples ◽  
Quantification Method ◽  
Atr Spectroscopy ◽  
Pls Method

Using Fourier transform infrared spectroscopy (FTIR), attenuated total reflection (ATR) technology and partial least square (PLS) method, the rapid quantification method of hemoglobin (HGB) in human soluble blood samples was established. Based on the distribution of samples’ HGB chemical value and absorbance on 1543 cm-1 which had the highest signal to noise ratio for HGB, all samples were divided into calibration set and prediction set for 50 times. PLS models were established for all divisions, based on the average data RMSEPAve, the stable optimal model was selected, the corresponding PLS factor, RMSEPAve and RP,Ave were 2, 6.81 g/L and 0.943 respectively.

FTIR/ATR Spectroscopy Applied to the Rapid Determination of Chemical Oxygen Demand of Wastewater

2012 ◽  
Vol 500 ◽  
pp. 820-825 ◽  
Author(s):  
Tao Pan ◽  
Qiang Ji ◽  
Jie Mei Chen ◽  
Hua Zhou Chen
Keyword(s):  
Chemical Oxygen Demand ◽  
Mean Squared Error ◽  
Rapid Determination ◽  
Signal To Noise Ratio ◽  
Oxygen Demand ◽  
Attenuated Total Reflection ◽  
Optimal Model ◽  
Squared Error ◽  
Atr Spectroscopy

A directly rapid quantification method for chemical oxygen demand (COD) of wastewater was established by Fourier transform infrared (FTIR) spectroscopy combined with attenuated total reflection (ATR) technology and moving window partial least squares (MWPLS) method with changeable parameters. All samples were firstly divided into the calibration set and the prediction set. And then according to the predicion effect, the optimal model was selected, and the corresponding waveband, number of adopted wavenumbers, PLS factor, root mean squared error of predication (RMSEP), correlation coefficient of predication (RP) were 3152-1109 cm-1, 1060, 8, 21.5 mg/L, and 0.981 respectively, which was obviously superior to the optimal PLS model on the whole spectral collecting region. The result shows that FTIR/ATR spectroscopy can be applied to the rapid determination of COD of wastewater, and the waveband selected by MWPLS method with changeable parameters has higher signal to noise ratio, which can effectively improve the precision of the predictive model.

Model Optimization and Wavenumbers Selection for FTIR/ATR Spectroscopy Analysis of Glucose Aqueous Solution

2011 ◽  
Vol 52-54 ◽  
pp. 411-416 ◽  
Author(s):  
Tao Pan ◽  
Ling Ling Wu ◽  
Hua Zhou Chen
Keyword(s):  
Aqueous Solution ◽  
Attenuated Total Reflection ◽  
Model Optimization ◽  
Optimal Model ◽  
Spectroscopy Analysis ◽  
Degree Polynomial ◽  
Fingerprint Region ◽  
Selection For ◽  
The Fourier Transform ◽  
Atr Spectroscopy

The rapid quantification method of glucose aqueous solution was established by using the Fourier transform infrared spectroscopy (FTIR) and attenuated total reflection (ATR). Model optimization and wavenumbers selection was investigated based on Savitzky-Golay (SG) smoothing. For the whole spectral collecting region 4500-600 cm-1 and the fingerprint region 1600-900 cm-1, Partial least squares (PLS) models without and with SG smoothing were established respectively. The optimal model was on the fingerprint region with SG smoothing of 1st order derivative, 2nd degree polynomial and 73 smoothing points, PLS factor, RMSEP, RP, were 4, 0.331 mmol/L, 0.999 respectively. Based on 19 absorption peaks of the subtracted spectra of glucose aqueous solution for de-ionized water, all possible wavenumber combinations were used to establish discrete multiple linear regression (MLR) models respectively, the optimal wavenumbers combination was 3084, 1034, 991 (cm-1), RMSEP and RP were 0.459 mmol/L, 0.997 respectively. It could provide valuable references for designing spectrophotometer system in special spectrometer and further for glucose analysis of the complex system. To get the stable prediction results, all models and results here were obtained based on the average data on 50 different divisions of calibration set and prediction set.

scholarly journals RAPID AUTHENTICATION OF TURMERIC POWDER ADULTERATED WITH CURCUMA ZEDOARIA AND CURCUMA XANTHORRHIZA USING FTIR-ATR SPECTROSCOPY AND CHEMOMETRICS

2019 ◽  
pp. 216-221
Author(s):  
ELLSYA ANGELINE ◽  
RATNA ASMAH SUSIDARTI ◽  
ABDUL ROHMAN
Keyword(s):  
Curcuma Longa ◽  
External Validation ◽  
Attenuated Total Reflection ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Calibration Model ◽  
Curcuma Zedoaria ◽  
Curcuma Xanthorrhiza ◽  
Atr Spectroscopy

Objective: The objective of this study is to develop a rapid, simple, non-destructive and inexpensive analytical method using Fourier Transform Infrared (FTIR) spectroscopy with Attenuated Total Reflection (ATR) as a sampling technique, combined with chemometrics for authentication of turmeric powder adulterated with Curcuma zedoaria and Curcuma xanthorrhiza. Methods: Turmeric powder is placed above the diamond crystal in ATR compartment. Spectra are scanned in the absorbance mode from 4000 to 600 cm-1. The obtained spectra is further analyzed by Principal Component Analysis (PCA), Partial Least Square Discriminant Analysis (PLS-DA), and Partial Least Square Regression (PLS-R). Results: PCA score plot shows that Curcuma longa, Curcuma zedoaria, and Curcuma xanthorrhiza can be discriminated well. PLS-DA can be used to build the model for classification between pure turmeric powder and adulterated powder with the values of Q2, R2X, and R2Y of 0.9558, 0.9813, and 0.9746, respectively. The good calibration model for quantification of each adulterant is obtained by PLS-R with R2 value more than 0.99 and lower RMSEC value. Both models have been validated by internal and external validation which result in the high R2 value and low RMSEP value which indicates that both models are accurate and precise. Conclusion: The combination of FTIR-ATR spectroscopy and chemometrics can be used to authenticate turmeric powder adulterated with Curcuma zedoaria and Curcuma xanthorrhiza.

scholarly journals Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis

2018 ◽  
Vol 2018 ◽  
pp. 1-10 ◽  
Author(s):  
Maurilio Gustavo Nespeca ◽  
Rafael Rodrigues Hatanaka ◽  
Danilo Luiz Flumignan ◽  
José Eduardo de Oliveira
Keyword(s):  
Signal To Noise Ratio ◽  
Generalized Least Squares ◽  
Quality Parameters ◽  
Attenuated Total Reflection ◽  
Partial Least Square ◽  
Least Square ◽  
Standard Methods ◽  
Orthogonal Signal Correction ◽  
Simultaneous Prediction ◽  
Point Total

Quality assessment of diesel fuel is highly necessary for society, but the costs and time spent are very high while using standard methods. Therefore, this study aimed to develop an analytical method capable of simultaneously determining eight diesel quality parameters (density; flash point; total sulfur content; distillation temperatures at 10% (T10), 50% (T50), and 85% (T85) recovery; cetane index; and biodiesel content) through attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and the multivariate regression method, partial least square (PLS). For this purpose, the quality parameters of 409 samples were determined using standard methods, and their spectra were acquired in ranges of 4000–650 cm−1. The use of the multivariate filters, generalized least squares weighting (GLSW) and orthogonal signal correction (OSC), was evaluated to improve the signal-to-noise ratio of the models. Likewise, four variable selection approaches were tested: manual exclusion, forward interval PLS (FiPLS), backward interval PLS (BiPLS), and genetic algorithm (GA). The multivariate filters and variables selection algorithms generated more fitted and accurate PLS models. According to the validation, the FTIR/PLS models presented accuracy comparable to the reference methods and, therefore, the proposed method can be applied in the diesel routine monitoring to significantly reduce costs and analysis time.

Identification and Quantification of Metamizole in Traditional Herbal Medicines using Spectroscopy FTIR-ATR combined with Chemometrics

2021 ◽  
pp. 4413-4419
Author(s):  
Dharmastuti Cahya Fatmarahmi ◽  
Ratna Asmah Susidarti ◽  
Respati Tri Swasono ◽  
Abdul Rohman
Keyword(s):  
Discriminant Analysis ◽  
Herbal Medicine ◽  
Ftir Spectroscopy ◽  
Herbal Medicines ◽  
Principal Component ◽  
Attenuated Total Reflection ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Precision Data

The study aims to develop an effective, efficient, and reliable method using Fourier Transform Infrared (FTIR) spectroscopy with Attenuated Total Reflection (ATR) combined with chemometric for identifying the synthetic drug in Indonesian herbal medicine known as Jamu. Jamu powders, Metamizole, and the binary mixture of Jamu and Metamizole were measured using FTIR-ATR at the mid-infrared region (4000-650 cm-1). The obtained spectra profiles were further analyzed by Principal Component Analysis, Partial Least Square Regression, Principal Component Regression, and Discriminant Analysis. Jamu Pegel Linu (JPL), Jamu Encok (JE), Jamu Sakit Pinggang (JSP), Metamizole (M), and adulterated Jamu by Metamizole were discriminated well on PCA score plot. PLSR and PCR showed the accuracy and precision data to quantify JPL, JE, and JSP, and each adulterated by M with R2 value > 0,995 and low value of RMSEC and RMSEP. Discriminant Analysis (DA) was successfully grouping Jamu and Metamizole without any misclassification. A combination of FTIR spectroscopy and chemometrics offered useful tools for detecting Metamizole in traditional herbal medicine.

scholarly journals Studi Mediasi Kepuasan Pelanggan Pada Industri Retail: Peran Kualitas Layanan dan Implikasinya terhadap Loyalitas Pelanggan

IQTISHODUNA ◽  
2020 ◽  
Vol 16 (2) ◽  
pp. 115-130
Author(s):  
Mohammad Nur Safri Ramadhan ◽  
Nur Asnawi
Keyword(s):  
Customer Satisfaction ◽  
Service Quality ◽  
Direct Effect ◽  
Customer Loyalty ◽  
Comparative Research ◽  
Partial Least Square ◽  
Least Square ◽  
Retail Service ◽  
Retail Service Quality ◽  
Pls Method

The purpose of this research is to determine the direct effect of retail service quality on customers' loyalty and satisfaction, the effect of customer satisfaction on their loyalty and how much customer satisfaction mediates retail service quality on customers' loyalty on Super Indo Bendungan Sutami customers, Malang. This research method uses comparative research with a quantitative approach. The sample used was 120 respondents with collected data by a questionnaire. The data analysis in this study used the Partial Least Square (PLS) method. The results of this research indicate that there is a direct effect of the retail service quality variable upon customers' loyalty and also on customer satisfaction which has a direct influence on customers of Super Indo Bendungan Sutami. Meanwhile, loyalty and can mediate the effect of retail service quality on customer loyalty.               

scholarly journals Variabel Pengajuan Sertifikasi Halal Usaha Kecil Keripik Tempe di Kota Malang

AGROINTEK ◽  
2021 ◽  
Vol 15 (3) ◽  
pp. 736-747
Author(s):  
Sucipto Sucipto ◽  
Elvira Moudhy Syahputri ◽  
Riska Septifani
Keyword(s):  
Local Government ◽  
Small Business ◽  
Consumer Demand ◽  
Partial Least Square ◽  
Least Square ◽  
Costs And Benefits ◽  
Tourism Destinations ◽  
Pls Method

Malang is one of the halal tourism destinations in Indonesia. Halal certification of superior food souvenirs such as tempeh chips is important to support halal tourism. In fact, the small business of halal certified chips is still limited. This study aimed to identify variables that affect the tempeh crispy small business submission for halal certification. The study used the Partial Least Square (PLS) method. Data was obtained from a questionnaire of 40 respondents consisting of 20 tempeh chips not halal certified and 20 businesses that were halal certified. Research variables include producer awareness, halal certification procedures, halal certification costs, halal certification regulations, and consumer demand. The results showed that the variable halal certification regulations and consumer demand significantly influence the submission of halal certification. Awareness and knowledge of producers of the procedures, costs, and benefits of halal certification can be increased in collaboration with the Halal Product Guarantee Agency (HPGA), the industrial offices of local government, and universities to provide information, improve, and assist producers to submit halal certification.

scholarly journals The investigation of the effects of spiritual values and behaviors on business development and performance of Muslim preneurship

2018 ◽  
Vol 60 (2) ◽  
pp. 730-740
Author(s):  
Mahyarni Mahyarni ◽  
Astuti Meflinda ◽  
Henni Indrayani
Keyword(s):  
Design Methodology ◽  
Partial Least Square ◽  
Least Square ◽  
Spiritual Values ◽  
Content Type ◽  
Data Processing Method ◽  
The Future ◽  
West Sumatra ◽  
And Performance ◽  
Pls Method

Purpose This paper aims to determine the effect between variables and formulate policies related to Muslim business preneurship in the future. Design/methodology/approach Partial least square (PLS) data processing method is used is this study. Findings The result shows that Muslim preneurship spiritual values will lead to an increase in Muslim preneurship behaviors in running a business on society and performance on society. Indonesian people realize that Muslim preneurship development at the present time cannot be separated from the development of small- and medium-sized enterprises spread throughout the country. Originality/value The PLS method that was applied to determine the effect between variables and formulate policies related to Muslim businesses preneurship in the future. This research location was Riau and West Sumatra, Indonesia, and the variables were spiritual values and behavioral and developmental Muslim business preneurship.

Recursive PLS Modeling of Aromatics and Olefins in Gasoline

2013 ◽  
Vol 740 ◽  
pp. 267-272 ◽  
Author(s):  
Jing Fang Wang
Keyword(s):  
Near Infrared ◽  
Partial Least Square ◽  
Least Square ◽  
Oil Refining ◽  
Enterprise Application ◽  
Calibration Models ◽  
Recursive Pls ◽  
Comparison Of The Results ◽  
Pls Method ◽  
Separate Calibration

The separate calibration models of aromatics and olefins were established for gasoline through recursive partial least square (R-PLS) method in this paper.The some oil refining enterprise application has achieved better effect on the software being realized by R-PLS method. The calibration models were validated through comparison of the results determined by fluorescent indicator adsorption (FIA) and near infrared spectroscopy (NIR) methods.The NIR analysis results were well coincident with those of FIA method.The NIR can not only raise the analysis efficiency and lower the analysis cost,but also has better precision compared with FIA method.

Model Optimization for near-Infrared Spectroscopy Analysis of Chemical Oxygen Demand of Wastewater

2012 ◽  
Vol 500 ◽  
pp. 832-837 ◽  
Author(s):  
Tao Pan ◽  
Wei Wei Chen ◽  
Wen Jie Huang ◽  
Rui Tuo Qu
Keyword(s):  
Chemical Oxygen Demand ◽  
Near Infrared ◽  
Oxygen Demand ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Simultaneous Optimization ◽  
Model Optimization ◽  
Spectroscopy Analysis ◽  
Smoothing Parameters

A directly rapid quantitative analysis method for chemical oxygen demand (COD) of wastewater samples was established by near-infrared (NIR) spectroscopy and partial least square (PLS) method. The optimization of Savitzky-Golay (SG) smoothing modes combined with PLS factor was applied to optimize the model of NIR spectroscopy analysis here. The waveband used for modeling was the combination of 400-1878 nm and 2088-2338 nm. The optimal smoothing parameters were the 5th derivative smoothing, 5th degree polynomial, 17 smoothing points, the optimal PLS factor, root mean squared error of predication (RMSEP) and correlation coefficient of predication (RP) were 7, 33.2 (mg/L) and 0.929 respectively, which was obviously superior to the direct PLS model without SG smoothing and ones based on the whole spectral collecting region 400-2500 nm. This demonstrated that NIR spectroscopy can be applied to the rapid determination of COD of wastewater, large-scale simultaneous optimization selection of SG smoothing parameters and PLS factor can be effectively applied to the model optimization of NIR analysis.

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