scholarly journals Lasso Modeling as an Alternative to PCA Based Multivariate Models to System with Heavy Sparsity: “Biodiesel Quality by Nir Spectroscopy”

2020 ◽  
Vol 7 (1) ◽  
pp. 01-12
Author(s):  
Cesar Mello ◽  
Cassiano Escudeiro ◽  
Isao Noda
Keyword(s):  
Nir Spectroscopy ◽  
Multivariate Models ◽  
Biodiesel Quality

A Comparison of near Infrared Method Development Approaches Using a Drug Product on Different Spectrophotometers and Chemometric Software Algorithms

2009 ◽  
Vol 17 (5) ◽  
pp. 233-244 ◽  
Author(s):  
Assad Kazeminy ◽  
Saeed Hashemi ◽  
Roger L. Williams ◽  
Gary E. Ritchie ◽  
Ronald Rubinovitz ◽  
...  
Keyword(s):  
Method Development ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Dosage Forms ◽  
Multivariate Models ◽  
Data Set ◽  
Pharmaceutical Dosage Forms ◽  
Pre Treatment ◽  
Instrument Configuration

It is well known that spectral variability in near infrared (NIR) spectroscopy can be attributed to the analyst, sample, sample positioning, instrument configuration and software (in both algorithm formats and structures used as well as in the execution of data pre-treatment and analysis). It is often acknowledged that the single largest factor impacting NIR results is sample presentation. However, what is obvious but not often acknowledged is that there are instrumental and software differences as well. These differences, evident in the quality of the spectra, may impact the chemometrics that are subsequently performed and, possibly, the results obtained from the multivariate statistical models. In order to investigate just what are these sources of variability, and just how much these variations may impact the results of the multivariate models for predicting the identification of pharmaceutical dosage forms, a study has been conducted. To the authors' knowledge, no other systematic study of this kind has been published. In this study, we are interested in learning what variability, if any, the choices for instrument and software have on the development of a NIR method for the identification of pharmaceutical dosage forms. Furthermore, we would like to learn what and how do the choices made early on in the experimental design impact the final quality of the spectra and the resulting multivariate models obtained from these spectra. A study protocol was designed, using a common data set consisting of four formulations of Ibuprofen, involving three investigating parties, namely, US FDA, USP and Irvine Pharmaceutical Services and using three NIR instruments, namely (listed in alphabetical order), a Bruker spectrometer, a Büchi spectrometer and a Foss spectrometer. Based on the results and despite differences in instrument configuration [dispersive or Fourier Transform (FT)], number of spectral data points, principal components analysis (PCA) or factorisation algorithms, and validation modelling approach, exact and accurate spectroscopic results can be achieved using NIR spectroscopy for discriminate analysis. More importantly, this study shows that the same NIR method spectral range and pre-treatment parameters can be used, and that nearly the same multivariate models can be obtained, despite instrumental and software differences, to accurately predict the identity of pharmaceutical dosage forms.

Monitoring Biodiesel Fuel Quality by near Infrared Spectroscopy

2007 ◽  
Vol 15 (2) ◽  
pp. 97-105 ◽  
Author(s):  
Pedro Felizardo ◽  
Patrícia Baptista ◽  
Margarida Sousa Uva ◽  
José C. Menezes ◽  
M. Joana Neiva Correia
Keyword(s):  
Near Infrared ◽  
Multivariate Calibration ◽  
Analytical Data ◽  
Nir Spectroscopy ◽  
Laboratory Scale ◽  
Biodiesel Fuel ◽  
Fuel Quality ◽  
Least Squares Regression ◽  
Animal Fats ◽  
Biodiesel Quality

Biodiesel is produced mainly by a transesterification reaction which involves the reaction of vegetable oils, animal fats or waste oils with an alcohol (such as methanol) in the presence of a catalyst (such as sodium hydroxide or methoxide). Since the presence of contaminants can cause severe engine problems, the assessment of the biodiesel quality is very important. This work reports the use of near infrared (NIR) spectroscopy to determine the content of water and methanol in industrial and laboratory-scale biodiesel samples. A qualitative analysis of the spectra by principal components analysis was carried out and partial least squares regression was used to develop calibration models between spectral and analytical data. The results indicate that the use of NIR spectroscopy, in combination with multivariate calibration, is a promising technique to assess the biodiesel quality in both laboratory-scale and industrial-scale samples.

Visible and NIR Spectroscopy to assess biodiesel quality: Determination of alcohol and glycerol traces

Fuel ◽  
2011 ◽  
Vol 90 (6) ◽  
pp. 2321-2325 ◽  
Author(s):  
M. Pilar Dorado ◽  
Sara Pinzi ◽  
Antonio de Haro ◽  
Rafael Font ◽  
Juan Garcia-Olmo
Keyword(s):  
Nir Spectroscopy ◽  
Biodiesel Quality

Quantification of polyphenols in powdered Actaea racemosa (black cohosh) rhizomes by NIR spectroscopy

Planta Medica ◽  
2016 ◽  
Vol 81 (S 01) ◽  
pp. S1-S381
Author(s):  
M Bittner ◽  
A Kraehmer ◽  
MF Melzig
Keyword(s):  
Nir Spectroscopy ◽  
Black Cohosh ◽  
Actaea Racemosa

Pengaruh Jenis Co-Solvent terhadap Rendemen dan Mutu Biodiesel secara Transesterifikasi In Situ Menggunakan Radiasi Gelombang Mikro

2016 ◽  
Vol 10 (2) ◽  
pp. 119-126
Author(s):  
Mahlinda Mahlinda ◽  
Fitriana Djafar
Keyword(s):  
Catalyst Concentration ◽  
Maximum Yield ◽  
Acid Value ◽  
Experimental Result ◽  
In Situ Transesterification ◽  
Yield And Quality ◽  
Solvent Type ◽  
Biodiesel Quality

The main purpose of this research was to observer effect co-solvent type (n-Hexane, chloroform and without co-solvent)  toward yield and quality of biodiesel via in situ transesterification process using microwave irradiation. The process was studied at microwave power 450 watt, reaction time 4 minutes, methanol to seed ratio 25:1 and catalyst concentration 5%. The physicochemical parameters of the biodiesel produced such as viscosity, density and acid value were analysed and compared with the SNI 7182-2012 standard. The experimental result showed the maximum yield biodiesel 78,32% obtained by using co-solvent chloroform.Test result of physicochemical properties (viscosity, density and acid value) of biodiesel products using co solvent n-Hexane, chloroform and without co solvent showed that these products conform to the SNI 7182-2012 standars. The type of co-solvent only affectedon biodiesel yield dan not affected on biodiesel quality (viscosity, density and acid value).  ABSTRAKTujuan penelitian ini adalah untuk mempelajari pengaruh jenis co-solvent (n-Hexane, chloroform dan tanpa co-solvent) terhadap rendemen dan mutu biodiesel secara trasesterifikasi in situ menggunakan radiasi gelombang mikro. Proses dilakukan pada daya gelombang mikro 450 watt, waktu reaksi 4 menit, perbandingan berat metanol terhadap bahan baku 25:1 dan jumlah katalis 5%. Parameter fisiko kimia dari produk biodiesel seperti viskositas, densitas dan angka asam di analisa dan dibandingkan dengan standar SNI 7182-2012 tentang biodiesel. Hasil penelitian menunjukkan rendemen maksimum biodiesel sebesar 78,32% diperoleh dengan menggunakan co-solvent chloroform. Hasil pengujian  karakteristik fisiko kimia (viskositas, densitas dan angka asam) dari produk biodiesel menggunakan co-solvent n-Hexane, chloroform dan tanpa co-solvent menunjukkan bahwa semua parameter ini masih memenuhi standar SNI 1782-2012 tentang biodiesel. Jenis co-solvent hanya berpengaruh pada rendemen biodiesel dan tidak berpengaruh terhadap mutu biodiesel (viskositas, densitas dan bilangan asam).Kata kunci: co-solvent, in situ transesterifikasi, microwave, rendemen, mutu   

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