A data-driven approach to generate pseudo-reaction sequences for the thermal conversion of Athabasca bitumen

2021 ◽  
Author(s):  
Kaushik Sivaramakrishnan ◽  
Anjana Puliyanda ◽  
Arno De Klerk ◽  
Vinay Prasad
Keyword(s):  
Fourier Transform ◽  
Thermal Cracking ◽  
Fourier Transform Infrared ◽  
Thermal Conversion ◽  
Data Driven ◽  
Multivariate Curve Resolution ◽  
Curve Resolution ◽  
Liquid Products ◽  
Data Driven Approach ◽  
The Fourier Transform

This work focuses on the application of self-modeling multivariate curve resolution (SMCR) methods on the Fourier transform infrared (FTIR) spectra of the liquid products obtained from the thermal cracking of...

scholarly journals Variety Identification of Orchids Using Fourier Transform Infrared Spectroscopy Combined with Stacked Sparse Auto-Encoder

Molecules ◽  
2019 ◽  
Vol 24 (13) ◽  
pp. 2506 ◽  
Author(s):  
Yunfeng Chen ◽  
Yue Chen ◽  
Xuping Feng ◽  
Xufeng Yang ◽  
Jinnuo Zhang ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Principal Component ◽  
Fourier Transform Infrared ◽  
Spectroscopic Technique ◽  
Variety Identification ◽  
Support Vector ◽  
K Nearest Neighbors ◽  
Discriminant Models ◽  
The Fourier Transform ◽  
Better Than

The feasibility of using the fourier transform infrared (FTIR) spectroscopic technique with a stacked sparse auto-encoder (SSAE) to identify orchid varieties was studied. Spectral data of 13 orchids varieties covering the spectral range of 4000–550 cm−1 were acquired to establish discriminant models and to select optimal spectral variables. K nearest neighbors (KNN), support vector machine (SVM), and SSAE models were built using full spectra. The SSAE model performed better than the KNN and SVM models and obtained a classification accuracy 99.4% in the calibration set and 97.9% in the prediction set. Then, three algorithms, principal component analysis loading (PCA-loading), competitive adaptive reweighted sampling (CARS), and stacked sparse auto-encoder guided backward (SSAE-GB), were used to select 39, 300, and 38 optimal wavenumbers, respectively. The KNN and SVM models were built based on optimal wavenumbers. Most of the optimal wavenumbers-based models performed slightly better than the all wavenumbers-based models. The performance of the SSAE-GB was better than the other two from the perspective of the accuracy of the discriminant models and the number of optimal wavenumbers. The results of this study showed that the FTIR spectroscopic technique combined with the SSAE algorithm could be adopted in the identification of the orchid varieties.

scholarly journals Application of Fourier Transform Infrared Spectrophotometry Method for Analysis of Metformin Hydrochloride in Marketed Tablet Dosage Form

2021 ◽  
Vol 7 (2) ◽  
pp. 168-177
Author(s):  
Nerdy Nerdy ◽  
Linda Margata ◽  
Dian Ika Perbina Meliala ◽  
Bunga Mari Sembiring ◽  
Selamat Ginting ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Dosage Form ◽  
Limit Of Detection ◽  
Fourier Transform Infrared ◽  
Metformin Hydrochloride ◽  
Infrared Spectrophotometry ◽  
Relative Standard ◽  
Limit Of Quantitation ◽  
The Fourier Transform ◽  
Tablet Dosage

The first line drug given for monotherapy for diabetes mellitus type 2 is metformin hydrochloride, which is a biguanide antihyperglycemic drug. The aim of this research was to develop, validate, and apply the Fourier Transform Infrared spectrophotometry method to identify and determine metformin hydrochloride in marketed tablet dosage form. This research included preparation of standard, analysis of samples, and validation of method. The specific wavenumber obtained for qualitative analysis was 1645.68 cm–1 and 1574.8 cm–1. The specific area obtained for quantitative analysis with a single baseline ranged from 1701.53 cm–1 to 1535.66 cm–1. All metformin hydrochloride marketed tablet dosage forms were analyzed and met all of the qualitative and quantitative requirements. The methods met the requirements of method validation for accuracy with a percentage of recovery of 100.22 %, precision with relative standard deviation of 0.48 %, linearity with a correlation coefficient of 0.9992, limit of detection of 11.17 mg per mL, limit of quantitation of 33.84 mg per mL, and good specificity results. In this study, the Fourier Transform Infrared spectrophotometry method was successfully developed and validated for application in identification and determination of metformin hydrochloride in marketed tablet dosage form.

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