• Title/Summary/Keyword: Fourier spectral analysis

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A comparison of ATR-FTIR and Raman spectroscopy for the non-destructive examination of terpenoids in medicinal plants essential oils

  • Rahul Joshi;Sushma Kholiya;Himanshu Pandey;Ritu Joshi;Omia Emmanuel;Ameeta Tewari;Taehyun Kim;Byoung-Kwan Cho
    • Korean Journal of Agricultural Science
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    • v.50 no.4
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    • pp.675-696
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    • 2023
  • Terpenoids, also referred to as terpenes, are a large family of naturally occurring chemical compounds present in the essential oils extracted from medicinal plants. In this study, a nondestructive methodology was created by combining ATR-FT-IR (attenuated total reflectance-Fourier transform infrared), and Raman spectroscopy for the terpenoids assessment in medicinal plants essential oils from ten different geographical locations. Partial least squares regression (PLSR) and support vector regression (SVR) were used as machine learning methodologies. However, a deep learning based model called as one-dimensional convolutional neural network (1D CNN) were also developed for models comparison. With a correlation coefficient (R2) of 0.999 and a lowest RMSEP (root mean squared error of prediction) of 0.006% for the prediction datasets, the SVR model created for FT-IR spectral data outperformed both the PLSR and 1 D CNN models. On the other hand, for the classification of essential oils derived from plants collected from various geographical regions, the created SVM (support vector machine) classification model for Raman spectroscopic data obtained an overall classification accuracy of 0.997% which was superior than the FT-IR (0.986%) data. Based on the results we propose that FT-IR spectroscopy, when coupled with the SVR model, has a significant potential for the non-destructive identification of terpenoids in essential oils compared with destructive chemical analysis methods.

Simultaneous Determination of Polycyclic Aromatic Hydrocarbons by Near Infrared Spectroscopy using a Partial Least Squares Regression

  • Nam, Jae-Jak;Lee, Sang-Hak;Park, Ju-Eun
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1276-1276
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    • 2001
  • Polycyclic aromatic hydrocarbons(PAHs) are widely distributed in the environment and are often implicated as potential carcinogens. The chromatographic methods of detection and quantitative determination of PAHs in environmental samples are costly, time consuming, and do not account for all kinds of PAHs. This work describes a quantitative spectroscopic method for the analysis of mixtures of eight PAHs using multivariate calibration models for Fourier transform near infrared(FT-NIR) spectral data. The NIR spectra of mixtures of PAHs (anthracene, pyrene, 1,2-benzanthracene, perylene, chrysene, benzo(a)pyrene, 1-methylanthracene and benzo(ghi)perylene) were measured in the wavelength range from 1100 nm to 2500 nm. The spectral data were processed using a partial least squares regression. We have studied the spectral characteristics of NIR spectra of mixtures of PAHs. It was possible to determine each PAM used in this study at the environmental level(mg L-1) in the laboratory samples. Further development may lead to the rapid determination of more PAHs in typical environmental samples.

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Representative Evaluation of Topographical Characteristics of Road Surface for Tire Contact Force Analysis (노면 표면거칠기 특성의 대표값 정량화와 타이어 접촉력 해석 기법에 대한 고찰)

  • Seo, Beom Gyo;Sung, In-Ha
    • Tribology and Lubricants
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    • v.33 no.6
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    • pp.303-308
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    • 2017
  • Most automobile tire companies have not yet considered the geometric information of a road at the design stage of a tire because the topographical characterization of a road surface is very difficult owing to its vastness and randomness. A road surface shows variable surface roughness values according to magnification, and thus, the contact force between the road and tire significantly fluctuates with respect to the scale. In this study, we make an attempt to define a representative value for surface topographical information at multi-scale levels. To represent surface topography, we use a statistical method called power spectral density (PSD). We use the fast Fourier transform (FFT) and PSD to analyze the height profiles of a random surface. The FFT and PSD of a surface help in obtaining a fractal dimension, which is a representative value of surface topography at all length scales. We develop three surfaces with different fractal dimensions. We use finite element analysis (FEA) to observe the contact forces between a tire and the road surfaces with three different fractal dimensions. The results from FEA reveal that an increase in the fractal dimension decreases the contact length between the tire and road surfaces. On the contrary, the average contact force increases. This result indicates that designing and manufacturing a tire considering the fractal dimension of a road makes safe driving possible, owing to the improvement in service life and braking performance of the tire.

The evaluation of correction methods and effect of kaolinite on quantitative analysis of quartz in respirable dust by FTIR direct-on-filter method (직접필터법을 이용한 석영 분석시 고령석의 영향 및 보정방법 평가)

  • Phee, Young Gyu
    • Journal of Korean Society of Occupational and Environmental Hygiene
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    • v.19 no.1
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    • pp.1-7
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    • 2009
  • To establish the Fourier-Transform Infra-Red spectrophotometry(FTIR) Direct-On-Filter(DOF) technique as a useful analytical method for quartz in respirable dust samples, an influence of the kaolinite should be corrected. Respirable dust, created in a dust chamber containing the standard material of quartz and kaolinite were collected using a cyclone equipped with a 25 mm, $0.8\;{\mu}m$ pore size DM filter as a collection medium. This study was designed to compare three methods of correction for kaolinite when quantifying the content of quartz, including the least square, the optimum choice and the spectral subtraction methods. The content of quartz in the respirable dust samples was overestimated by 6.2% when mixed with kaolinite(35.5% by weight). The content of quartz containing kaolinite(72.8% by weight) were overestimated by 32%. The spectral subtraction method underestimated the quartz content by 1.5%, while the other two correction methods, the optimum choice and the least square method, overestimated the quartz content by 1.9% to 6.4% and 0.04 to 1.1%, respectively. The results of this study are suggested that, when correcting for effects of kaolinite on quantitative analysis of quartz in respirable dust by FTIR direct-on-filter method, the least square method produce the most unbiased results be compared with those of other correction methods.

MR Line Scan Angiography using Spectral Analysis

  • Jung, Kwan-Jin;Ro, Yong-Man;Sim, Bog-Tae;Ra, Jong-Beom;Cho, Zang-Hee
    • Proceedings of the KOSOMBE Conference
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    • v.1989 no.05
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    • pp.27-28
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    • 1989
  • In conventional line scan angiography, flow signal has been enhanced by the time_of_flight effect while the signal from stationary tissues has been suppressed by the saturation rf pulse followed by spoiling gradients. Due to the inhomogeneous rf field and the tissue dependent T1 relaxation time, however, stationary tissues can not be suppressed completely or uniformly, and the remnant stationary signal deteriorates the resultant angiogram. Here, the complete cancellation of stationary tissues is made possible by the spectral analysis of a series of repetitive line images of the same slice. The Fourier transformation of a set of line images results in the spectrum images, where stationary tissues are collected into the dc component while arteries are included in harmonic components because of the variation of the flow velocity and the resultant flow signal in arteries according to the cardiac cycle. The summation of harmonic components excluding the dc component results in the angiogram of arteries with the complete cancellation of stationary tissues.

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Simulation of non-Gaussian stochastic processes by amplitude modulation and phase reconstruction

  • Jiang, Yu;Tao, Junyong;Wang, Dezhi
    • Wind and Structures
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    • v.18 no.6
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    • pp.693-715
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    • 2014
  • Stochastic processes are used to represent phenomena in many diverse fields. Numerical simulation method is widely applied for the solution to stochastic problems of complex structures when alternative analytical methods are not applicable. In some practical applications the stochastic processes show non-Gaussian properties. When the stochastic processes deviate significantly from Gaussian, techniques for their accurate simulation must be available. The various existing simulation methods of non-Gaussian stochastic processes generally can only simulate super-Gaussian stochastic processes with the high-peak characteristics. And these methodologies are usually complicated and time consuming, not sufficiently intuitive. By revealing the inherent coupling effect of the phase and amplitude part of discrete Fourier representation of random time series on the non-Gaussian features (such as skewness and kurtosis) through theoretical analysis and simulation experiments, this paper presents a novel approach for the simulation of non-Gaussian stochastic processes with the prescribed amplitude probability density function (PDF) and power spectral density (PSD) by amplitude modulation and phase reconstruction. As compared to previous spectral representation method using phase modulation to obtain a non-Gaussian amplitude distribution, this non-Gaussian phase reconstruction strategy is more straightforward and efficient, capable of simulating both super-Gaussian and sub-Gaussian stochastic processes. Another attractive feature of the method is that the whole process can be implemented efficiently using the Fast Fourier Transform. Cases studies demonstrate the efficiency and accuracy of the proposed algorithm.

Impact shock and kinematic characteristics of the lower extremity's joint during downhill running (내리막 달리기의 충격 쇼크와 신체 관절의 운동학적 특징)

  • Ryu, Ji-Seon
    • Korean Journal of Applied Biomechanics
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    • v.15 no.4
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    • pp.117-129
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    • 2005
  • The purpose of this study was to characterize the impact shock wave and its attenuation, and the kinematic response of the lower extremity's joints to the impact shock during downhill running in which the lower extremity's extensor acts dominantly. For this study, fifteen subjects(mean age:$27.08{\pm}4.39$; mass:$76.30{\pm}6.60$; height:$177.25{\pm}4.11$) were required to run on the 0% grade treadmill and downhill grades of 7%, and 15% in random at speed of their preference. When the participant run, acceleration at the tibia and the sacrum and kinematic data of the lower extremity were collected for 20s so as to provide at least 5 strides for analysis at each grade. Peak impact accelerations were used to calculate shock attenuation between the tibia and sacrum in time domain at each grade. Fast Fourier transformation(FFT) and power spectral density(PSD) techniques were used to analyze impact shock factors and its attenuation in the frequency domain. Joint coordinate system technique was used to compute angular displacement of the ankle and knee joint in three dimension. The conclusions were drawn as fellows: 1. Peak impact accelerations of the tibia and sacrum in downhill run were greater than that of 0% grade run, but no significant between conditions. Peak shock of PSD resembled also in pattern of peak impact acceleration. The wave of impact shock attenuation between the tibia and sacrum decreased with increasing grade, but didn't find a significant difference between grade conditions. 2. Adduction/abduction, flexion/extention, and internal/external rotation of the ankle and knee joints at support phase between grade conditions didn't make much difference. 3. At grade of 7% and 15%, there were relationship between the knee of the flexion/extension movement and peak impact acceleration during heel strike and found also it in the ankle of plantar/dorsiflexion at grade of 15%.

The practical guide for using the R-package in the digital signal processing (신호 처리를 위한 R활용서)

  • Pak, Ro Jin
    • Journal of the Korean Data and Information Science Society
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    • v.28 no.5
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    • pp.1001-1019
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    • 2017
  • The signal processing is a field of the electrical engineering but it is very much related with the time series analysis. Thesedays the commercial softwares are widely used by the reseachers. We have attempted to make a guide for using the R-package in the digital signal processing. It would be good to read the materials in each section first and to follow the plots in the section 8 and to run the attached R-codes. The article consists of (1) Fourier transform and Fourier inverse transform, (2) spectral analysis (3) parametric and non-parametric estimation for the period (4) filter design. Simple theoretical explanations are provided and R implementations are added.

Extraction of dietary fibers from cassava pulp and cassava distiller's dried grains and assessment of their components using Fourier transform infrared spectroscopy to determine their further use as a functional feed in animal diets

  • Okrathok, Supattra;Thumanu, Kanjana;Pukkung, Chayanan;Molee, Wittawat;Khempaka, Sutisa
    • Animal Bioscience
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    • v.35 no.7
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    • pp.1048-1058
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    • 2022
  • Objective: The present study was to investigate the extraction conditions of dietary fiber from dried cassava pulp (DCP) and cassava distiller's dried grains (CDG) under different NaOH concentrations, and the Fourier transform infrared (FTIR) was used to determine the dietary fiber components. Methods: The dried samples (DCP and CDG) were treated with various concentrations of NaOH at levels of 2%, 4%, 6%, and 8% using a completely randomized design with 4 replications of each. After extraction, the residual DCP and CDG dietary fiber were dried in a hot air oven at 55℃ to 60℃. Finally, the oven dried extracted dietary fiber was powdered to a particle size of 1 mm. Both extracted dietary fibers were analyzed for their chemical composition and determined by FTIR. Results: The DCP and CDG treated with NaOH linearly or quadratically or cubically (p<0.05) increased the total dietary fiber (TDF) and insoluble fiber (IDF). The optimal conditions for extracting dietary fiber from DCP and CDG were under treatment with 6% and 4% NaOH, respectively, as these conditions yielded the highest TDF and IDF contents. These results were associated with the FTIR spectra integration for a semi-quantitative analysis, which obtained the highest cellulose content in dietary fiber extracted from DCP and CDG with 6% and 4% NaOH solution, respectively. The principal component analysis illustrated clear separation of spectral distribution in cassava pulp extracted dietary fiber (DFCP) and cassava distiller's dried grains extracted dietary fiber (DFCDG) when treated with 6% and 4% NaOH, respectively. Conclusion: The optimal conditions for the extraction of dietary fiber from DCP and CDG were treatment with 6% and 4% NaOH solution, respectively. In addition, FTIR spectroscopy proved itself to be a powerful tool for fiber identification.

Characterization of intrinsic molecular structure spectral profiles of feedstocks and co-products from canola bio-oil processing: impacted by source origin

  • Alessandra M.R.C.B., de Oliveira;Peiqiang, Yu
    • Animal Bioscience
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    • v.36 no.2
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    • pp.256-263
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    • 2023
  • Objective: Feed molecular structures can affect its availability to gastrointestinal enzymes which impact its digestibility and absorption. The molecular spectroscopy-attenuated total reflectance Fourier transform infrared vibrational spectroscopy (ATR-FTIR) is an advanced technique that measures the absorbance of chemical functional groups on the infrared region so that we can identify and quantify molecules and functional groups in a feed. The program aimed to reveal the association of intrinsic molecular structure with nutrient supply to animals from canola feedstocks and co-products from bio-oil processing. The objective of this study was to characterize special intrinsic carbohydrate and protein-related molecular structure spectral profiles of feedstock and co-products (meal and pellets) from bio-oil processing from two source origins: Canada (CA) and China (CH). Methods: The samples of feedstock and co-products were obtained from five different companies in each country arranged by the Canola Council of Canada (CCC). The molecular structure spectral features were analyzed using advanced vibrational molecular spectroscopy-ATR-FTIR. The spectral features that accessed included: i) protein-related spectral features (Amide I, Amide II, α-helix, β-sheet, and their spectral intensity ratios), ii) carbohydrate-related spectral features (TC1, TC2, TC3, TC4, CEC, STC1, STC2, STC3, STC4, TC, and their spectral intensity ratios). Results: The results showed that significant differences were observed on all vibrationally spectral features related to total carbohydrates, structural carbohydrates, and cellulosic compounds (p<0.05), except spectral features of TC2 and STC1 (p>0.05) of co-products, where CH meals presented higher peaks of these structures than CA. Similarly, it was for the carbohydrate-related molecular structure of canola seeds where the difference between CA and CH occurred except for STC3 height, CEC and STC areas (p>0.05). The protein-related molecular structures were similar for the canola seeds from both countries. However, CH meals presented higher peaks of amide I, α-helix, and β-sheet heights, α-helix:β-sheet ratio, total amide and amide I areas (p<0.05). Conclusion: The principal component analysis was able to explain over 90% of the variabilities in the carbohydrate and protein structures although it was not able to separate the samples from the two countries, indicating feedstock and coproducts interrelationship between CH and CA.