Predicting the ethanol potential of wheat straw using near-infrared spectroscopy and chemometrics

DEFF Research Database (Denmark)

Rinnan, Åsmund; Bruun, Sander; Lindedam, Jane

2017-01-01

of using near-infrared spectroscopy to evaluate the ethanol potential of wheat straw by analyzing more than 1000 samples from different wheat varieties and growth conditions. During the calibration model development, the prime emphasis was to investigate the correlation structure between the two major...

Non-destructive geographical traceability of sea cucumber (Apostichopus japonicus) using near infrared spectroscopy combined with chemometric methods.

Science.gov (United States)

Guo, Xiuhan; Cai, Rui; Wang, Shisheng; Tang, Bo; Li, Yueqing; Zhao, Weijie

2018-01-01

Sea cucumber is the major tonic seafood worldwide, and geographical origin traceability is an important part of its quality and safety control. In this work, a non-destructive method for origin traceability of sea cucumber ( Apostichopus japonicus ) from northern China Sea and East China Sea using near infrared spectroscopy (NIRS) and multivariate analysis methods was proposed. Total fat contents of 189 fresh sea cucumber samples were determined and partial least-squares (PLS) regression was used to establish the quantitative NIRS model. The ordered predictor selection algorithm was performed to select feasible wavelength regions for the construction of PLS and identification models. The identification model was developed by principal component analysis combined with Mahalanobis distance and scaling to the first range algorithms. In the test set of the optimum PLS models, the root mean square error of prediction was 0.45, and correlation coefficient was 0.90. The correct classification rates of 100% were obtained in both identification calibration model and test model. The overall results indicated that NIRS method combined with chemometric analysis was a suitable tool for origin traceability and identification of fresh sea cucumber samples from nine origins in China.

New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR).

Science.gov (United States)

Genisheva, Z; Quintelas, C; Mesquita, D P; Ferreira, E C; Oliveira, J M; Amaral, A L

2018-04-25

This work aims to explore the potential of near infrared (NIR) spectroscopy to quantify volatile compounds in Vinho Verde wines, commonly determined by gas chromatography. For this purpose, 105 Vinho Verde wine samples were analyzed using Fourier transform near infrared (FT-NIR) transmission spectroscopy in the range of 5435 cm -1 to 6357 cm -1 . Boxplot and principal components analysis (PCA) were performed for clusters identification and outliers removal. A partial least square (PLS) regression was then applied to develop the calibration models, by a new iterative approach. The predictive ability of the models was confirmed by an external validation procedure with an independent sample set. The obtained results could be considered as quite good with coefficients of determination (R 2 ) varying from 0.94 to 0.97. The current methodology, using NIR spectroscopy and chemometrics, can be seen as a promising rapid tool to determine volatile compounds in Vinho Verde wines. Copyright © 2017 Elsevier Ltd. All rights reserved.

Gum Arabic authentication and mixture quantification by near infrared spectroscopy

DEFF Research Database (Denmark)

Dong, Yongjiang; Sørensen, Klavs Martin; He, Sailing

2017-01-01

A rapid and reliable method is developed for Gum Arabic authentication based on Near Infrared (NIR) spectroscopy and chemometric methods. On a large industrial collection of authentic gum Arabics, the two major Acacia gum species, Acacia senegal and Acacia seyal could be assigned perfectly...... by the NIR spectroscopic method. In addition, a partial least squares (PLS) regression model is calibrated to predict the blending percentage of the two pure gum types, producing an accuracy, root mean square error of cross validation (RMSECV) of 2.8%. Sampling of the Gum Arabic ‘tears’ is discussed......, and it was determined that subsamples from three ‘tears’ is required for a representative result. It is concluded that NIR spectroscopy is a very powerful and reliable method for authenticity testing of Gum Arabic species....

Near Infrared Spectroscopy Calibration for Wood Chemistry: Which Chemometric Technique Is Best for Prediction and Interpretation?

Directory of Open Access Journals (Sweden)

Brian K. Via

2014-07-01

Full Text Available This paper addresses the precision in factor loadings during partial least squares (PLS and principal components regression (PCR of wood chemistry content from near infrared reflectance (NIR spectra. The precision of the loadings is considered important because these estimates are often utilized to interpret chemometric models or selection of meaningful wavenumbers. Standard laboratory chemistry methods were employed on a mixed genus/species hardwood sample set. PLS and PCR, before and after 1st derivative pretreatment, was utilized for model building and loadings investigation. As demonstrated by others, PLS was found to provide better predictive diagnostics. However, PCR exhibited a more precise estimate of loading peaks which makes PCR better for interpretation. Application of the 1st derivative appeared to assist in improving both PCR and PLS loading precision, but due to the small sample size, the two chemometric methods could not be compared statistically. This work is important because to date most research works have committed to PLS because it yields better predictive performance. But this research suggests there is a tradeoff between better prediction and model interpretation. Future work is needed to compare PLS and PCR for a suite of spectral pretreatment techniques.

Near infrared spectroscopy calibration for wood chemistry: which chemometric technique is best for prediction and interpretation?

Science.gov (United States)

Via, Brian K; Zhou, Chengfeng; Acquah, Gifty; Jiang, Wei; Eckhardt, Lori

2014-07-25

This paper addresses the precision in factor loadings during partial least squares (PLS) and principal components regression (PCR) of wood chemistry content from near infrared reflectance (NIR) spectra. The precision of the loadings is considered important because these estimates are often utilized to interpret chemometric models or selection of meaningful wavenumbers. Standard laboratory chemistry methods were employed on a mixed genus/species hardwood sample set. PLS and PCR, before and after 1st derivative pretreatment, was utilized for model building and loadings investigation. As demonstrated by others, PLS was found to provide better predictive diagnostics. However, PCR exhibited a more precise estimate of loading peaks which makes PCR better for interpretation. Application of the 1st derivative appeared to assist in improving both PCR and PLS loading precision, but due to the small sample size, the two chemometric methods could not be compared statistically. This work is important because to date most research works have committed to PLS because it yields better predictive performance. But this research suggests there is a tradeoff between better prediction and model interpretation. Future work is needed to compare PLS and PCR for a suite of spectral pretreatment techniques.

Gasoline classification using near infrared (NIR) spectroscopy data: Comparison of multivariate techniques

Energy Technology Data Exchange (ETDEWEB)

Balabin, Roman M., E-mail: balabin@org.chem.ethz.ch [Department of Chemistry and Applied Biosciences, ETH Zurich, 8093 Zurich (Switzerland); Safieva, Ravilya Z. [Gubkin Russian State University of Oil and Gas, 119991 Moscow (Russian Federation); Lomakina, Ekaterina I. [Faculty of Computational Mathematics and Cybernetics, Lomonosov Moscow State University, 119992 Moscow (Russian Federation)

2010-06-25

Near infrared (NIR) spectroscopy is a non-destructive (vibrational spectroscopy based) measurement technique for many multicomponent chemical systems, including products of petroleum (crude oil) refining and petrochemicals, food products (tea, fruits, e.g., apples, milk, wine, spirits, meat, bread, cheese, etc.), pharmaceuticals (drugs, tablets, bioreactor monitoring, etc.), and combustion products. In this paper we have compared the abilities of nine different multivariate classification methods: linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), regularized discriminant analysis (RDA), soft independent modeling of class analogy (SIMCA), partial least squares (PLS) classification, K-nearest neighbor (KNN), support vector machines (SVM), probabilistic neural network (PNN), and multilayer perceptron (ANN-MLP) - for gasoline classification. Three sets of near infrared (NIR) spectra (450, 415, and 345 spectra) were used for classification of gasolines into 3, 6, and 3 classes, respectively, according to their source (refinery or process) and type. The 14,000-8000 cm{sup -1} NIR spectral region was chosen. In all cases NIR spectroscopy was found to be effective for gasoline classification purposes, when compared with nuclear magnetic resonance (NMR) spectroscopy or gas chromatography (GC). KNN, SVM, and PNN techniques for classification were found to be among the most effective ones. Artificial neural network (ANN-MLP) approach based on principal component analysis (PCA), which was believed to be efficient, has shown much worse results. We hope that the results obtained in this study will help both further chemometric (multivariate data analysis) investigations and investigations in the sphere of applied vibrational (infrared/IR, near-IR, and Raman) spectroscopy of sophisticated multicomponent systems.

Gasoline classification using near infrared (NIR) spectroscopy data: Comparison of multivariate techniques

International Nuclear Information System (INIS)

Balabin, Roman M.; Safieva, Ravilya Z.; Lomakina, Ekaterina I.

2010-01-01

Near infrared (NIR) spectroscopy is a non-destructive (vibrational spectroscopy based) measurement technique for many multicomponent chemical systems, including products of petroleum (crude oil) refining and petrochemicals, food products (tea, fruits, e.g., apples, milk, wine, spirits, meat, bread, cheese, etc.), pharmaceuticals (drugs, tablets, bioreactor monitoring, etc.), and combustion products. In this paper we have compared the abilities of nine different multivariate classification methods: linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), regularized discriminant analysis (RDA), soft independent modeling of class analogy (SIMCA), partial least squares (PLS) classification, K-nearest neighbor (KNN), support vector machines (SVM), probabilistic neural network (PNN), and multilayer perceptron (ANN-MLP) - for gasoline classification. Three sets of near infrared (NIR) spectra (450, 415, and 345 spectra) were used for classification of gasolines into 3, 6, and 3 classes, respectively, according to their source (refinery or process) and type. The 14,000-8000 cm -1 NIR spectral region was chosen. In all cases NIR spectroscopy was found to be effective for gasoline classification purposes, when compared with nuclear magnetic resonance (NMR) spectroscopy or gas chromatography (GC). KNN, SVM, and PNN techniques for classification were found to be among the most effective ones. Artificial neural network (ANN-MLP) approach based on principal component analysis (PCA), which was believed to be efficient, has shown much worse results. We hope that the results obtained in this study will help both further chemometric (multivariate data analysis) investigations and investigations in the sphere of applied vibrational (infrared/IR, near-IR, and Raman) spectroscopy of sophisticated multicomponent systems.

Photographic infrared spectroscopy and near infrared photometry of Be stars

International Nuclear Information System (INIS)

Swings, J.P.

1976-01-01

Two topics are tackled in this presentation: spectroscopy and photometry. The following definitions are chosen: photographic infrared spectroscopy (wavelengths Hα<=lambda<1.2 μ); near infrared photometry (wavebands: 1.6 μ<=lambda<=20 μ). Near infrared spectroscopy and photometry of classical and peculiar Be stars are discussed and some future developments in the field are outlined. (Auth.)

In-line and Real-time Monitoring of Resonant Acoustic Mixing by Near-infrared Spectroscopy Combined with Chemometric Technology for Process Analytical Technology Applications in Pharmaceutical Powder Blending Systems.

Science.gov (United States)

Tanaka, Ryoma; Takahashi, Naoyuki; Nakamura, Yasuaki; Hattori, Yusuke; Ashizawa, Kazuhide; Otsuka, Makoto

2017-01-01

Resonant acoustic ® mixing (RAM) technology is a system that performs high-speed mixing by vibration through the control of acceleration and frequency. In recent years, real-time process monitoring and prediction has become of increasing interest, and process analytical technology (PAT) systems will be increasingly introduced into actual manufacturing processes. This study examined the application of PAT with the combination of RAM, near-infrared spectroscopy, and chemometric technology as a set of PAT tools for introduction into actual pharmaceutical powder blending processes. Content uniformity was based on a robust partial least squares regression (PLSR) model constructed to manage the RAM configuration parameters and the changing concentration of the components. As a result, real-time monitoring may be possible and could be successfully demonstrated for in-line real-time prediction of active pharmaceutical ingredients and other additives using chemometric technology. This system is expected to be applicable to the RAM method for the risk management of quality.

Discrimination between authentic and adulterated liquors by near-infrared spectroscopy and ensemble classification

Science.gov (United States)

Chen, Hui; Tan, Chao; Wu, Tong; Wang, Li; Zhu, Wanping

2014-09-01

Chinese liquor is one of the famous distilled spirits and counterfeit liquor is becoming a serious problem in the market. Especially, age liquor is facing the crisis of confidence because it is difficult for consumer to identify the marked age, which prompts unscrupulous traders to pose off low-grade liquors as high-grade liquors. An ideal method for authenticity confirmation of liquors should be non-invasive, non-destructive and timely. The combination of near-infrared spectroscopy with chemometrics proves to be a good way to reach these premises. A new strategy is proposed for classification and verification of the adulteration of liquors by using NIR spectroscopy and chemometric classification, i.e., ensemble support vector machines (SVM). Three measures, i.e., accuracy, sensitivity and specificity were used for performance evaluation. The results confirmed that the strategy can serve as a screening tool applied to verify adulteration of the liquor, that is, a prior step used to condition the sample to a deeper analysis only when a positive result for adulteration is obtained by the proposed methodology.

Assessment of genetically modified soybean crops and different cultivars by Fourier transform infrared spectroscopy and chemometric analysis

Directory of Open Access Journals (Sweden)

Glaucia Braz Alcantara

2010-06-01

Full Text Available This paper describes the potentiality of Fourier transform infrared (FT-IR spectroscopy associated to chemometric analysis for assessment of conventional and genetically modified soybean crops. Recently, genetically modified organisms have been queried about their influence on the environment and their safety as food/feed. In this regard, chemical investigations are ever more required. Thus three different soybean cultivars distributed in transgenic Roundup ReadyTM soybean and theirs conventional counterparts were directly investigated by FT-IR spectroscopy and chemometric analysis. The application of PCA and KNN methods permitted the discrimination and classification of the genetically modified samples from conventional ones when they were separately analysed. The analyses showed the chemical variation according to genetic modification. Furthermore, this methodology was efficient for cultivar grouping and highlights cultivar dependence for discrimination between transgenic and non-transgenic samples. According to this study, FT-IR and chemometrics could be used as a quick, easy and low cost tool to assess the chemical composition variation in genetically modified organisms.

At-line determination of pharmaceuticals small molecule's blending end point using chemometric modeling combined with Fourier transform near infrared spectroscopy

Science.gov (United States)

Tewari, Jagdish; Strong, Richard; Boulas, Pierre

2017-02-01

This article summarizes the development and validation of a Fourier transform near infrared spectroscopy (FT-NIR) method for the rapid at-line prediction of active pharmaceutical ingredient (API) in a powder blend to optimize small molecule formulations. The method was used to determine the blend uniformity end-point for a pharmaceutical solid dosage formulation containing a range of API concentrations. A set of calibration spectra from samples with concentrations ranging from 1% to 15% of API (w/w) were collected at-line from 4000 to 12,500 cm- 1. The ability of the FT-NIR method to predict API concentration in the blend samples was validated against a reference high performance liquid chromatography (HPLC) method. The prediction efficiency of four different types of multivariate data modeling methods such as partial least-squares 1 (PLS1), partial least-squares 2 (PLS2), principal component regression (PCR) and artificial neural network (ANN), were compared using relevant multivariate figures of merit. The prediction ability of the regression models were cross validated against results generated with the reference HPLC method. PLS1 and ANN showed excellent and superior prediction abilities when compared to PLS2 and PCR. Based upon these results and because of its decreased complexity compared to ANN, PLS1 was selected as the best chemometric method to predict blend uniformity at-line. The FT-NIR measurement and the associated chemometric analysis were implemented in the production environment for rapid at-line determination of the end-point of the small molecule blending operation. FIGURE 1: Correlation coefficient vs Rank plot FIGURE 2: FT-NIR spectra of different steps of Blend and final blend FIGURE 3: Predictions ability of PCR FIGURE 4: Blend uniformity predication ability of PLS2 FIGURE 5: Prediction efficiency of blend uniformity using ANN FIGURE 6: Comparison of prediction efficiency of chemometric models TABLE 1: Order of Addition for Blending Steps

Near-infrared imaging spectroscopy for counterfeit drug detection

Science.gov (United States)

Arnold, Thomas; De Biasio, Martin; Leitner, Raimund

2011-06-01

Pharmaceutical counterfeiting is a significant issue in the healthcare community as well as for the pharmaceutical industry worldwide. The use of counterfeit medicines can result in treatment failure or even death. A rapid screening technique such as near infrared (NIR) spectroscopy could aid in the search for and identification of counterfeit drugs. This work presents a comparison of two laboratory NIR imaging systems and the chemometric analysis of the acquired spectroscopic image data. The first imaging system utilizes a NIR liquid crystal tuneable filter and is designed for the investigation of stationary objects. The second imaging system utilizes a NIR imaging spectrograph and is designed for the fast analysis of moving objects on a conveyor belt. Several drugs in form of tablets and capsules were analyzed. Spectral unmixing techniques were applied to the mixed reflectance spectra to identify constituent parts of the investigated drugs. The results show that NIR spectroscopic imaging can be used for contact-less detection and identification of a variety of counterfeit drugs.

Geographical traceability of Marsdenia tenacissima by Fourier transform infrared spectroscopy and chemometrics

Science.gov (United States)

Li, Chao; Yang, Sheng-Chao; Guo, Qiao-Sheng; Zheng, Kai-Yan; Wang, Ping-Li; Meng, Zhen-Gui

2016-01-01

A combination of Fourier transform infrared spectroscopy with chemometrics tools provided an approach for studying Marsdenia tenacissima according to its geographical origin. A total of 128 M. tenacissima samples from four provinces in China were analyzed with FTIR spectroscopy. Six pattern recognition methods were used to construct the discrimination models: support vector machine-genetic algorithms, support vector machine-particle swarm optimization, K-nearest neighbors, radial basis function neural network, random forest and support vector machine-grid search. Experimental results showed that K-nearest neighbors was superior to other mathematical algorithms after data were preprocessed with wavelet de-noising, with a discrimination rate of 100% in both the training and prediction sets. This study demonstrated that FTIR spectroscopy coupled with K-nearest neighbors could be successfully applied to determine the geographical origins of M. tenacissima samples, thereby providing reliable authentication in a rapid, cheap and noninvasive way.

Estimation of raw material performance in mammalian cell culture using near infrared spectra combined with chemometrics approaches.

Science.gov (United States)

Lee, Hae Woo; Christie, Andrew; Liu, Jun Jay; Yoon, Seongkyu

2012-01-01

Understanding variability in raw materials and their impacts on product quality is of critical importance in the biopharmaceutical manufacturing processes. For this purpose, several spectroscopic techniques have been studied for raw material characterization, providing fast and nondestructive ways to measure quality of raw materials. However, investigations of correlation between spectra of raw materials and cell culture performance have been scarce due to their complexity and uncertainty. In this study, near-infrared spectra and bioassays of multiple soy hydrolysate lots manufactured by different vendors were analyzed using chemometrics approaches in order to address variability of raw materials as well as correlation between raw material properties and corresponding cell culture performance. Principal component analysis revealed that near-infrared spectra of different soy lots contain enough physicochemical information about soy hydrolysates to allow identification of lot-to-lot variability as well as vendor-to-vendor differences. The identified compositional variability was further analyzed in order to estimate cell growth and protein production of two mammalian cell lines under the condition of varying soy dosages using partial least square regression combined with optimal variable selection. The performance of the resulting models demonstrates the potential of near-infrared spectroscopy as a robust lot selection tool for raw materials while providing a biological link between chemical composition of raw materials and cell culture performance. Copyright © 2012 American Institute of Chemical Engineers (AIChE).

Ultrafast stimulated Raman spectroscopy in the near-infrared region

International Nuclear Information System (INIS)

Takaya, Tomohisa

2016-01-01

A number of electronic transitions in the near-infrared wavelength region are associated with migration or delocalization of electrons in large molecules or molecular systems. Time-resolved near-infrared Raman spectroscopy will be a powerful tool for investigating the structural dynamic of samples with delocalized electrons. However, the sensitivity of near-infrared spontaneous Raman spectrometers is significantly low due to an extremely small probability of Raman scattering and a low sensitivity of near-infrared detectors. Nonlinear Raman spectroscopy is one of the techniques that can overcome the sensitivity problems and enable us to obtain time-resolved Raman spectra in resonance with near-IR transitions. In this article, the author introduces recent progress of ultrafast time-resolved near-infrared stimulated Raman spectroscopy. Optical setup, spectral and temporal resolution, and applications of the spectrometer are described. (author)

Classification of diesel pool refinery streams through near infrared spectroscopy and support vector machines using C-SVC and ν-SVC.

Science.gov (United States)

Alves, Julio Cesar L; Henriques, Claudete B; Poppi, Ronei J

2014-01-03

The use of near infrared (NIR) spectroscopy combined with chemometric methods have been widely used in petroleum and petrochemical industry and provides suitable methods for process control and quality control. The algorithm support vector machines (SVM) has demonstrated to be a powerful chemometric tool for development of classification models due to its ability to nonlinear modeling and with high generalization capability and these characteristics can be especially important for treating near infrared (NIR) spectroscopy data of complex mixtures such as petroleum refinery streams. In this work, a study on the performance of the support vector machines algorithm for classification was carried out, using C-SVC and ν-SVC, applied to near infrared (NIR) spectroscopy data of different types of streams that make up the diesel pool in a petroleum refinery: light gas oil, heavy gas oil, hydrotreated diesel, kerosene, heavy naphtha and external diesel. In addition to these six streams, the diesel final blend produced in the refinery was added to complete the data set. C-SVC and ν-SVC classification models with 2, 4, 6 and 7 classes were developed for comparison between its results and also for comparison with the soft independent modeling of class analogy (SIMCA) models results. It is demonstrated the superior performance of SVC models especially using ν-SVC for development of classification models for 6 and 7 classes leading to an improvement of sensitivity on validation sample sets of 24% and 15%, respectively, when compared to SIMCA models, providing better identification of chemical compositions of different diesel pool refinery streams. Copyright © 2013 Elsevier B.V. All rights reserved.

Near Infrared Spectroscopy as a Hemodynamic Monitor in Critical Illness.

Science.gov (United States)

Ghanayem, Nancy S; Hoffman, George M

2016-08-01

The objectives of this review are to discuss the technology and clinical interpretation of near infrared spectroscopy oximetry and its clinical application in patients with congenital heart disease. MEDLINE and PubMed. Near infrared spectroscopy provides a continuous noninvasive assessment of tissue oxygenation. Over 20 years ago, near infrared spectroscopy was introduced into clinical practice for monitoring cerebral oxygenation during cardiopulmonary bypass in adults. Since that time, the utilization of near infrared spectroscopy has extended into the realm of pediatric cardiac surgery and is increasingly being used in the cardiac ICU to monitor tissue oxygenation perioperatively.

Infrared imaging spectroscopy and chemometric tools for in situ analysis of an imiquimod pharmaceutical preparation presented as cream

Science.gov (United States)

Carneiro, Renato Lajarim; Poppi, Ronei Jesus

2014-01-01

In the present work the homogeneity of a pharmaceutical formulation presented as a cream was studied using infrared imaging spectroscopy and chemometric methodologies such as principal component analysis (PCA) and multivariate curve resolution with alternating least squares (MCR-ALS). A cream formulation, presented as an emulsion, was prepared using imiquimod as the active pharmaceutical ingredient (API) and the excipients: water, vaseline, an emulsifier and a carboxylic acid in order to dissolve the API. After exposure at 45 °C during 3 months to perform accelerated stability test, the presence of some crystals was observed, indicating homogeneity problems in the formulation. PCA exploratory analysis showed that the crystal composition was different from the composition of the emulsion, since the score maps presented crystal structures in the emulsion. MCR-ALS estimated the spectra of the crystals and the emulsion. The crystals presented amine and C-H bands, suggesting that the precipitate was a salt formed by carboxylic acid and imiquimod. These results indicate the potential of infrared imaging spectroscopy in conjunction with chemometric methodologies as an analytical tool to ensure the quality of cream formulations in the pharmaceutical industry.

Prediction of biogas yield and its kinetics in reed canary grass using near infrared reflectance spectroscopy and chemometrics

DEFF Research Database (Denmark)

Kandel, Tanka Prasad; Gislum, René; Jørgensen, Uffe

2013-01-01

A rapid method is needed to assess biogas and methane yield potential of various kinds of substrate prior to anaerobic digestion. This study reports near infrared reflectance spectroscopy (NIRS) as a rapid alternative method to the conventional batch methods for prediction of specific biogas yield...

Use of in-line near-infrared spectroscopy in combination with chemometrics for improved understanding of pharmaceutical processes

DEFF Research Database (Denmark)

Rantanen, Jukka; Wikström, Håkan; Turner, Rebecca

2005-01-01

was extracted. Principal component loadings were fully interpreted to validate the conclusions drawn from scores and predictions. Thus NIR spectroscopy could be used to determine the end points of the three subphases of high shear wet granulation and, as such, provide a fast in-line quality control tool....... solid dosage form. In this study, the use of in-line near-infrared (NIR) spectroscopy as a process analytical tool for high shear granulation was investigated. In combination with principal component-based methods, process analysis of three separate phases of high shear wet granulation (mixing, spraying...

Application of near-infrared spectroscopy for monitoring and control of cell culture and fermentation

DEFF Research Database (Denmark)

Cervera Padrell, Albert Emili; Petersen, Nanna; Eliasson Lantz, Anna

2009-01-01

of chemometric models built for interpretation of the spectra, thus impairing the analyte concentration predictions. The aim of this review was to provide an overview of necessary conditions and challenges that one has to face when developing a NIR application for monitoring of cell culture or fermentation...... processes. Important practical aspects are introduced, such as sampling, modeling of biomass concentration, influence of microorganism morphology on the spectra, effects of the hydrodynamic conditions in the fermenter, temperature influence, instrument settings, and signal optimization. Several examples......Near-infrared (NIR) spectroscopy can potentially provide on-line information on substrate, biomass, product, and metabolite concentrations in fermentation processes, which could be useful for improved monitoring or control. However, several factors can negatively influence the quality...

Rapid Characterization of Fatty Acids in Oleaginous Microalgae by Near-Infrared Spectroscopy

Directory of Open Access Journals (Sweden)

Bin Liu

2015-03-01

Full Text Available The key properties of microalgal biodiesel are largely determined by the composition of its fatty acid methyl esters (FAMEs. The gas chromatography (GC based techniques for fatty acid analysis involve energy-intensive and time-consuming procedures and thus are less suitable for high-throughput screening applications. In the present study, a novel quantification method for microalgal fatty acids was established based on the near-infrared spectroscopy (NIRS technique. The lyophilized cells of oleaginous Chlorella containing different contents of lipids were scanned by NIRS and their fatty acid profiles were determined by GC-MS. NIRS models were developed based on the chemometric correlation of the near-infrared spectra with fatty acid profiles in algal biomass. The optimized NIRS models showed excellent performances for predicting the contents of total fatty acids, C16:0, C18:0, C18:1 and C18:3, with the coefficient of determination (R2 being 0.998, 0.997, 0.989, 0.991 and 0.997, respectively. Taken together, the NIRS method established here bypasses the procedures of cell disruption, oil extraction and transesterification, is rapid, reliable, and of great potential for high-throughput applications, and will facilitate the screening of microalgal mutants and optimization of their growth conditions for biodiesel production.

Near-infrared spectroscopy during peripheral vascular surgery

DEFF Research Database (Denmark)

Eiberg, J P; Schroeder, T V; Vogt, K C

1997-01-01

Near-infrared spectroscopy was performed perioperatively on the dorsum of the foot in 14 patients who underwent infrainguinal bypass surgery using a prosthesis or the greater saphenous vein. Dual-wavelength continuous light spectroscopy was used to assess changes in tissue saturation before, duri...

[Discrimination of Rice Syrup Adulterant of Acacia Honey Based Using Near-Infrared Spectroscopy].

Science.gov (United States)

Zhang, Yan-nan; Chen, Lan-zhen; Xue, Xiao-feng; Wu, Li-ming; Li, Yi; Yang, Juan

2015-09-01

At present, the rice syrup as a low price of the sweeteners was often adulterated into acacia honey and the adulterated honeys were sold in honey markets, while there is no suitable and fast method to identify honey adulterated with rice syrup. In this study, Near infrared spectroscopy (NIR) combined with chemometric methods were used to discriminate authenticity of honey. 20 unprocessed acacia honey samples from the different honey producing areas, mixed? with different proportion of rice syrup, were prepared of seven different concentration gradient? including 121 samples. The near infrared spectrum (NIR) instrument and spectrum processing software have been applied in the? spectrum? scanning and data conversion on adulterant samples, respectively. Then it was analyzed by Principal component analysis (PCA) and canonical discriminant analysis methods in order to discriminating adulterated honey. The results showed that after principal components analysis, the first two principal components accounted for 97.23% of total variation, but the regionalism of the score plot of the first two PCs was not obvious, so the canonical discriminant analysis was used to make the further discrimination, all samples had been discriminated correctly, the first two discriminant functions accounted for 91.6% among the six canonical discriminant functions, Then the different concentration of adulterant samples can be discriminated correctly, it illustrate that canonical discriminant analysis method combined with NIR spectroscopy is not only feasible but also practical for rapid and effective discriminate of the rice syrup adulterant of acacia honey.

Multi-parameters monitoring during traditional Chinese medicine concentration process with near infrared spectroscopy and chemometrics

Science.gov (United States)

Liu, Ronghua; Sun, Qiaofeng; Hu, Tian; Li, Lian; Nie, Lei; Wang, Jiayue; Zhou, Wanhui; Zang, Hengchang

2018-03-01

As a powerful process analytical technology (PAT) tool, near infrared (NIR) spectroscopy has been widely used in real-time monitoring. In this study, NIR spectroscopy was applied to monitor multi-parameters of traditional Chinese medicine (TCM) Shenzhiling oral liquid during the concentration process to guarantee the quality of products. Five lab scale batches were employed to construct quantitative models to determine five chemical ingredients and physical change (samples density) during concentration process. The paeoniflorin, albiflorin, liquiritin and samples density were modeled by partial least square regression (PLSR), while the content of the glycyrrhizic acid and cinnamic acid were modeled by support vector machine regression (SVMR). Standard normal variate (SNV) and/or Savitzkye-Golay (SG) smoothing with derivative methods were adopted for spectra pretreatment. Variable selection methods including correlation coefficient (CC), competitive adaptive reweighted sampling (CARS) and interval partial least squares regression (iPLS) were performed for optimizing the models. The results indicated that NIR spectroscopy was an effective tool to successfully monitoring the concentration process of Shenzhiling oral liquid.

Combination of near infrared spectroscopy and chemometrics for authentication of taro flour from wheat and sago flour

International Nuclear Information System (INIS)

Rachmawati; Rohaeti, E; Rafi, M

2017-01-01

Taro flour on the market is usually sold at higher price than wheat and sago flour. This situation could be a cause for adulteration of taro flour from wheat and sago flour. For this reason, we will need an identification and authentication. Combination of near infrared (NIR) spectrum with multivariate analysis was used in this study to identify and authenticate taro flour from wheat and sago flour. The authentication model of taro flour was developed by using a mixture of 5%, 25%, and 50% of adulterated taro flour from wheat and sago flour. Before subjected to multivariate analysis, an initial preprocessing signal was used namely normalization and standard normal variate to the NIR spectrum. We used principal component analysis followed by discriminant analysis to make an identification and authentication model of taro flour. From the result obtained, about 90.48% of the taro flour mixed with wheat flour and 85% of taro flour mixed with sago flour were successfully classified into their groups. So the combination of NIR spectrum with chemometrics could be used for identification and authentication of taro flour from wheat and sago flour. (paper)

Combination of near infrared spectroscopy and chemometrics for authentication of taro flour from wheat and sago flour

Science.gov (United States)

Rachmawati; Rohaeti, E.; Rafi, M.

2017-05-01

Taro flour on the market is usually sold at higher price than wheat and sago flour. This situation could be a cause for adulteration of taro flour from wheat and sago flour. For this reason, we will need an identification and authentication. Combination of near infrared (NIR) spectrum with multivariate analysis was used in this study to identify and authenticate taro flour from wheat and sago flour. The authentication model of taro flour was developed by using a mixture of 5%, 25%, and 50% of adulterated taro flour from wheat and sago flour. Before subjected to multivariate analysis, an initial preprocessing signal was used namely normalization and standard normal variate to the NIR spectrum. We used principal component analysis followed by discriminant analysis to make an identification and authentication model of taro flour. From the result obtained, about 90.48% of the taro flour mixed with wheat flour and 85% of taro flour mixed with sago flour were successfully classified into their groups. So the combination of NIR spectrum with chemometrics could be used for identification and authentication of taro flour from wheat and sago flour.

Separation of viable and non-viable tomato (Solanum lycopersicum L.) seeds using single seed near-infrared spectroscopy

DEFF Research Database (Denmark)

Shrestha, Santosh; Deleuran, Lise Christina; Gislum, René

2017-01-01

Single seed near-infrared (NIR) spectroscopy is a non-destructive technology commonly used for predicting lipids, proteins, carbohydrates and water content of agricultural products. The aim of the current study is to investigate the prospects of NIR spectroscopy in classifying viable and non...... identified as important for classification of viable and non-viable tomato seeds by iPLS-DA. The sensitivity i.e. ability to correctly identify the positive samples and specificity i.e. ability to reject the negative samples of the (iPLS-DA) model on identified spectral regions for prediction of viable......-viable tomato seeds of two cultivars using chemometrics. The data exploration were performed by principal component analysis (PCA). Subsequently, viable and non-viable seeds were classified by partial least squares-discriminant analysis (PLS-DA) and interval PLS-DA (iPLS-DA). The indication of clustering...

Application of a novel combination of near-infrared spectroscopy and a humidity-controlled 96-well plate to the characterization of the polymorphism of imidafenacin.

Science.gov (United States)

Uchida, Hiroshi; Yoshinaga, Tokuji; Mori, Hirotoshi; Otsuka, Makoto

2010-11-01

This study aimed to apply a currently available chemometric near-infrared spectroscopy technique to the characterization of the polymorphic properties of drug candidates. The technique requires only small quantities of samples and is therefore applicable to drugs in the early stages of development. The combination of near-infrared spectroscopy and a patented 96-well plate divided into 32 individual, humidity-controlled, three-well compartments was used in the characterization of a hygroscopic drug, imidafenacin, which has two polymorphs and one pseudo-polymorph. Characterization was also conducted with powder X-ray diffraction and thermal analysis. The results were compared with those from routinely used conventional analyses. Both the microanalysis and conventional analysis successfully characterised the substance (transformation and relative stability among the two polymorphs and a pseudo-polymorph) depending on the storage conditions. Near-infrared spectroscopic analyses utilizing a humidity-controlled 96-well plate required only small amounts of the sample for characterization under the various conditions of relative humidity. Near-infrared microanalysis can be applied to polymorphic studies of small quantities of a drug candidate. The results also suggest that the method will predict the behaviors of a hygroscopic candidate in solid pharmaceutical preparations at the early stages of drug development. © 2010 The Authors. JPP © 2010 Royal Pharmaceutical Society of Great Britain.

Near infrared system coupled chemometric algorithms for enumeration of total fungi count in cocoa beans neat solution.

Science.gov (United States)

Kutsanedzie, Felix Y H; Chen, Quansheng; Hassan, Md Mehedi; Yang, Mingxiu; Sun, Hao; Rahman, Md Hafizur

2018-02-01

Total fungi count (TFC) is a quality indicator of cocoa beans when unmonitored leads to quality and safety problems. Fourier transform near infrared spectroscopy (FT-NIRS) combined with chemometric algorithms like partial least square (PLS); synergy interval-PLS (Si-PLS); synergy interval-genetic algorithm-PLS (Si-GAPLS); Ant colony optimization - PLS (ACO-PLS) and competitive-adaptive reweighted sampling-PLS (CARS-PLS) was employed to predict TFC in cocoa beans neat solution. Model results were evaluated using the correlation coefficients of the prediction (Rp) and calibration (Rc); root mean square error of prediction (RMSEP), and the ratio of sample standard deviation to RMSEP (RPD). The developed models performance yielded 0.951≤Rp≤0.975; and 3.15≤RPD≤4.32. The models' prediction stability improved in the order of PLS

The application of Near-Infrared Reflectance Spectroscopy (NIRS) to detect melamine adulteration of soya bean meal.

Science.gov (United States)

Haughey, Simon A; Graham, Stewart F; Cancouët, Emmanuelle; Elliott, Christopher T

2013-02-15

Soya bean products are used widely in the animal feed industry as a protein based feed ingredient and have been found to be adulterated with melamine. This was highlighted in the Chinese scandal of 2008. Dehulled soya (GM and non-GM), soya hulls and toasted soya were contaminated with melamine and spectra were generated using Near Infrared Reflectance Spectroscopy (NIRS). By applying chemometrics to the spectral data, excellent calibration models and prediction statistics were obtained. The coefficients of determination (R(2)) were found to be 0.89-0.99 depending on the mathematical algorithm used, the data pre-processing applied and the sample type used. The corresponding values for the root mean square error of calibration and prediction were found to be 0.081-0.276% and 0.134-0.368%, respectively, again depending on the chemometric treatment applied to the data and sample type. In addition, adopting a qualitative approach with the spectral data and applying PCA, it was possible to discriminate between the four samples types and also, by generation of Cooman's plots, possible to distinguish between adulterated and non-adulterated samples. Copyright © 2012 Elsevier Ltd. All rights reserved.

Quality-by-design III: application of near-infrared spectroscopy to monitor roller compaction in-process and product quality attributes of immediate release tablets.

Science.gov (United States)

Kona, Ravikanth; Fahmy, Raafat M; Claycamp, Gregg; Polli, James E; Martinez, Marilyn; Hoag, Stephen W

2015-02-01

The objective of this study is to use near-infrared spectroscopy (NIRS) coupled with multivariate chemometric models to monitor granule and tablet quality attributes in the formulation development and manufacturing of ciprofloxacin hydrochloride (CIP) immediate release tablets. Critical roller compaction process parameters, compression force (CFt), and formulation variables identified from our earlier studies were evaluated in more detail. Multivariate principal component analysis (PCA) and partial least square (PLS) models were developed during the development stage and used as a control tool to predict the quality of granules and tablets. Validated models were used to monitor and control batches manufactured at different sites to assess their robustness to change. The results showed that roll pressure (RP) and CFt played a critical role in the quality of the granules and the finished product within the range tested. Replacing binder source did not statistically influence the quality attributes of the granules and tablets. However, lubricant type has significantly impacted the granule size. Blend uniformity, crushing force, disintegration time during the manufacturing was predicted using validated PLS regression models with acceptable standard error of prediction (SEP) values, whereas the models resulted in higher SEP for batches obtained from different manufacturing site. From this study, we were able to identify critical factors which could impact the quality attributes of the CIP IR tablets. In summary, we demonstrated the ability of near-infrared spectroscopy coupled with chemometrics as a powerful tool to monitor critical quality attributes (CQA) identified during formulation development.

Detection and quantification of adulteration in sandalwood oil through near infrared spectroscopy.

Science.gov (United States)

Kuriakose, Saji; Thankappan, Xavier; Joe, Hubert; Venkataraman, Venkateswaran

2010-10-01

The confirmation of authenticity of essential oils and the detection of adulteration are problems of increasing importance in the perfumes, pharmaceutical, flavor and fragrance industries. This is especially true for 'value added' products like sandalwood oil. A methodical study is conducted here to demonstrate the potential use of Near Infrared (NIR) spectroscopy along with multivariate calibration models like principal component regression (PCR) and partial least square regression (PLSR) as rapid analytical techniques for the qualitative and quantitative determination of adulterants in sandalwood oil. After suitable pre-processing of the NIR raw spectral data, the models are built-up by cross-validation. The lowest Root Mean Square Error of Cross-Validation and Calibration (RMSECV and RMSEC % v/v) are used as a decision supporting system to fix the optimal number of factors. The coefficient of determination (R(2)) and the Root Mean Square Error of Prediction (RMSEP % v/v) in the prediction sets are used as the evaluation parameters (R(2) = 0.9999 and RMSEP = 0.01355). The overall result leads to the conclusion that NIR spectroscopy with chemometric techniques could be successfully used as a rapid, simple, instant and non-destructive method for the detection of adulterants, even 1% of the low-grade oils, in the high quality form of sandalwood oil.

Imperial College near infrared spectroscopy neuroimaging analysis framework.

Science.gov (United States)

Orihuela-Espina, Felipe; Leff, Daniel R; James, David R C; Darzi, Ara W; Yang, Guang-Zhong

2018-01-01

This paper describes the Imperial College near infrared spectroscopy neuroimaging analysis (ICNNA) software tool for functional near infrared spectroscopy neuroimaging data. ICNNA is a MATLAB-based object-oriented framework encompassing an application programming interface and a graphical user interface. ICNNA incorporates reconstruction based on the modified Beer-Lambert law and basic processing and data validation capabilities. Emphasis is placed on the full experiment rather than individual neuroimages as the central element of analysis. The software offers three types of analyses including classical statistical methods based on comparison of changes in relative concentrations of hemoglobin between the task and baseline periods, graph theory-based metrics of connectivity and, distinctively, an analysis approach based on manifold embedding. This paper presents the different capabilities of ICNNA in its current version.

Vibrational Spectroscopy of Intramolecular Hydrogen Bonds in the Infrared and Near-Infrared Regions

DEFF Research Database (Denmark)

Schrøder, Sidsel Dahl

and 1,4-diaminobutane). Experimentally, the hydrogen bonds have been studied with vibrational spectroscopy in the infrared and near-infrared regions. The focus is primarily on spectra recorded in the near-infrared regions, which in these studies are dominated by O-H and N-H stretching overtones....... Overtone spectra have been recorded with intracavity laser photoacoustic laser spectroscopy and conventional long path absorption spectroscopy. Theoretically, a combination of electronic structure calculations and local mode models have been employed to guide the assignment of bands in the vibrational......,4-diaminobutane, no sign of intramolecular N-H···N hydrogen bonds were identified in the overtone spectra. However, theoretical analyzes indicate that intramolecular N-H···N hydrogen bonds are present in all three diamines if two hydrogen atoms on one of the methylene groups are substituted with triuoromethyl...

Near-infrared spectroscopy for cocrystal screening

DEFF Research Database (Denmark)

Allesø, Morten; Velaga, Sitaram; Alhalaweh, Amjad

2008-01-01

Near-infrared (NIR) spectroscopy is a well-established technique for solid-state analysis, providing fast, noninvasive measurements. The use of NIR spectroscopy for polymorph screening and the associated advantages have recently been demonstrated. The objective of this work was to evaluate...... the analytical potential of NIR spectroscopy for cocrystal screening using Raman spectroscopy as a comparative method. Indomethacin was used as the parent molecule, while saccharin and l-aspartic acid were chosen as guest molecules. Molar ratios of 1:1 for each system were subjected to two types of preparative...... retained in a physical mixture with the guest molecule, while liquid-assisted cogrinding did not induce any changes in the crystal lattice. The good chemical peak selectivity of Raman spectroscopy allowed a straightforward interpretation of sample data by analyzing peak positions and comparing to those...

Analysis of lard in meatball broth using Fourier transform infrared spectroscopy and chemometrics.

Science.gov (United States)

Kurniawati, Endah; Rohman, Abdul; Triyana, Kuwat

2014-01-01

Meatball is one of the favorite foods in Indonesia. For the economic reason (due to the price difference), the substitution of beef meat with pork can occur. In this study, FTIR spectroscopy in combination with chemometrics of partial least square (PLS) and principal component analysis (PCA) was used for analysis of pork fat (lard) in meatball broth. Lard in meatball broth was quantitatively determined at wavenumber region of 1018-1284 cm(-1). The coefficient of determination (R(2)) and root mean square error of calibration (RMSEC) values obtained were 0.9975 and 1.34% (v/v), respectively. Furthermore, the classification of lard and beef fat in meatball broth as well as in commercial samples was performed at wavenumber region of 1200-1000 cm(-1). The results showed that FTIR spectroscopy coupled with chemometrics can be used for quantitative analysis and classification of lard in meatball broth for Halal verification studies. The developed method is simple in operation, rapid and not involving extensive sample preparation. © 2013.

Rapid analysis of adulterations in Chinese lotus root powder (LRP) by near-infrared (NIR) spectroscopy coupled with chemometric class modeling techniques.

Science.gov (United States)

Xu, Lu; Shi, Peng-Tao; Ye, Zi-Hong; Yan, Si-Min; Yu, Xiao-Ping

2013-12-01

This paper develops a rapid analysis method for adulteration identification of a popular traditional Chinese food, lotus root powder (LRP), by near-infrared spectroscopy and chemometrics. 85 pure LRP samples were collected from 7 main lotus producing areas of China to include most if not all of the significant variations likely to be encountered in unknown authentic materials. To evaluate the model specificity, 80 adulterated LRP samples prepared by blending pure LRP with different levels of four cheaper and commonly used starches were measured and predicted. For multivariate quality models, two class modeling methods, the traditional soft independent modeling of class analogy (SIMCA) and a recently proposed partial least squares class model (PLSCM) were used. Different data preprocessing techniques, including smoothing, taking derivative and standard normal variate (SNV) transformation were used to improve the classification performance. The results indicate that smoothing, taking second-order derivatives and SNV can improve the class models by enhancing signal-to-noise ratio, reducing baseline and background shifts. The most accurate and stable models were obtained with SNV spectra for both SIMCA (sensitivity 0.909 and specificity 0.938) and PLSCM (sensitivity 0.909 and specificity 0.925). Moreover, both SIMCA and PLSCM could detect LRP samples mixed with 5% (w/w) or more other cheaper starches, including cassava, sweet potato, potato and maize starches. Although it is difficult to perform an exhaustive collection of all pure LRP samples and possible adulterations, NIR spectrometry combined with class modeling techniques provides a reliable and effective method to detect most of the current LRP adulterations in Chinese market. Copyright © 2013 Elsevier Ltd. All rights reserved.

[Near infrared spectroscopy study on water content in turbine oil].

Science.gov (United States)

Chen, Bin; Liu, Ge; Zhang, Xian-Ming

2013-11-01

Near infrared (NIR) spectroscopy combined with successive projections algorithm (SPA) was investigated for determination of water content in turbine oil. Through the 57 samples of different water content in turbine oil scanned applying near infrared (NIR) spectroscopy, with the water content in the turbine oil of 0-0.156%, different pretreatment methods such as the original spectra, first derivative spectra and differential polynomial least squares fitting algorithm Savitzky-Golay (SG), and successive projections algorithm (SPA) were applied for the extraction of effective wavelengths, the correlation coefficient (R) and root mean square error (RMSE) were used as the model evaluation indices, accordingly water content in turbine oil was investigated. The results indicated that the original spectra with different water content in turbine oil were pretreated by the performance of first derivative + SG pretreatments, then the selected effective wavelengths were used as the inputs of least square support vector machine (LS-SVM). A total of 16 variables selected by SPA were employed to construct the model of SPA and least square support vector machine (SPA-LS-SVM). There is 9 as The correlation coefficient was 0.975 9 and the root of mean square error of validation set was 2.655 8 x 10(-3) using the model, and it is feasible to determine the water content in oil using near infrared spectroscopy and SPA-LS-SVM, and an excellent prediction precision was obtained. This study supplied a new and alternative approach to the further application of near infrared spectroscopy in on-line monitoring of contamination such as water content in oil.

Advances in near-infrared measurements

CERN Document Server

Patonay, Gabor

1991-01-01

Advances in Near-Infrared Measurements, Volume 1 provides an overview of near-infrared spectroscopy. The book is comprised of six chapters that tackle various areas of near-infrared measurement. Chapter 1 discusses remote monitoring techniques in near-infrared spectroscopy with an emphasis on fiber optics. Chapter 2 covers the applications of fibers using Raman techniques, and Chapter 3 tackles the difficulties associated with near-infrared data analysis. The subsequent chapters present examples of the capabilities of near-infrared spectroscopy from various research groups. The text wi

[Study of near infrared spectral preprocessing and wavelength selection methods for endometrial cancer tissue].

Science.gov (United States)

Zhao, Li-Ting; Xiang, Yu-Hong; Dai, Yin-Mei; Zhang, Zhuo-Yong

2010-04-01

Near infrared spectroscopy was applied to measure the tissue slice of endometrial tissues for collecting the spectra. A total of 154 spectra were obtained from 154 samples. The number of normal, hyperplasia, and malignant samples was 36, 60, and 58, respectively. Original near infrared spectra are composed of many variables, for example, interference information including instrument errors and physical effects such as particle size and light scatter. In order to reduce these influences, original spectra data should be performed with different spectral preprocessing methods to compress variables and extract useful information. So the methods of spectral preprocessing and wavelength selection have played an important role in near infrared spectroscopy technique. In the present paper the raw spectra were processed using various preprocessing methods including first derivative, multiplication scatter correction, Savitzky-Golay first derivative algorithm, standard normal variate, smoothing, and moving-window median. Standard deviation was used to select the optimal spectral region of 4 000-6 000 cm(-1). Then principal component analysis was used for classification. Principal component analysis results showed that three types of samples could be discriminated completely and the accuracy almost achieved 100%. This study demonstrated that near infrared spectroscopy technology and chemometrics method could be a fast, efficient, and novel means to diagnose cancer. The proposed methods would be a promising and significant diagnosis technique of early stage cancer.

Discriminating nicotine and non-nicotine containing e-liquids using infrared spectroscopy.

Science.gov (United States)

Deconinck, E; Bothy, J L; Barhdadi, S; Courselle, P

2016-02-20

In a few countries, including Belgium, nicotine-containing e-cigarettes and e-liquids are considered medicines, and therefore cannot freely be sold, but should be distributed in a pharmacy. The fact that in the neighbouring countries these products are freely available, poses a problem for custom personnel, the more the nicotine content of the products is not always labelled, especially when they are bought through internet. Therefore there is a need for easy-to-use equipment and methods to perform a first on site screening of intercepted samples, both for border control as to check label compliance of the sample. The use of attenuated total reflectance-infrared spectroscopy (ATR-IR) and near infrared spectroscopy (NIR), combined with chemometrics was evaluated for the discrimination between nicotine containing and non-nicotine containing samples. It could be concluded that both ATR-IR and NIR could be used for the discrimination when combined with the appropriate chemometric techniques. The presented techniques do not need sample preparation and result in models with a minimum of false negative samples. If a large enough training set can be established the interpretation can be fully automated, making the presented approach suitable for on-site screening of e-liquid samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Near infrared spectroscopy combined with chemometrics for growth stage classification of cannabis cultivated in a greenhouse from seized seeds

Science.gov (United States)

Borille, Bruna Tassi; Marcelo, Marcelo Caetano Alexandre; Ortiz, Rafael Scorsatto; Mariotti, Kristiane de Cássia; Ferrão, Marco Flôres; Limberger, Renata Pereira

2017-02-01

Cannabis sativa L. (cannabis, Cannabaceae), popularly called marijuana, is one of the oldest plants known to man and it is the illicit drug most used worldwide. It also has been the subject of increasing discussions from the scientific and political points of view due to its medicinal properties. In recent years in Brazil, the form of cannabis drug trafficking has been changing and the Brazilian Federal Police has exponentially increased the number of seizures of cannabis seeds sent by the mail. This new form of trafficking encouraged the study of cannabis seeds seized germinated in a greenhouse through NIR spectroscopy combined with chemometrics. The plants were cultivated in a homemade greenhouse under controlled conditions. In three different growth periods (5.5 weeks, 7.5 weeks and 10 weeks), they were harvested, dried, ground and directly analyzed. The iPCA was used to select the best NIR spectral range (4000-4375 cm- 1) in order to develop unsupervised and supervised methods. The PCA and HCA showed a good separation between the three groups of cannabis samples at different growth stages. The PLS-DA and SVM-DA classified the samples with good results in terms of sensitivity and specificity. The sensitivity and specificity for SVM-DA classification were equal to unity. This separation may be due to the correlation of cannabinoids and volatile compounds concentration during the growth of the cannabis plant. Therefore, the growth stage of cannabis can be predicted by NIR spectroscopy and chemometric tools in the early stages of indoor cannabis cultivation.

Near-infrared spectroscopy

Directory of Open Access Journals (Sweden)

Virendra Jain

2015-01-01

Full Text Available Tissue ischaemia can be a significant contributor to increased morbidity and mortality. Conventional oxygenation monitoring modalities measure systemic oxygenation, but regional tissue oxygenation is not monitored. Near-infrared spectroscopy (NIRS is a non-invasive monitor for measuring regional oxygen saturation which provides real-time information. There has been increased interest in the clinical application of NIRS following numerous studies that show improved outcome in various clinical situations especially cardiac surgery. Its use has shown improved neurological outcome and decreased postoperative stay in cardiac surgery. Its usefulness has been investigated in various high risk surgeries such as carotid endarterectomy, thoracic surgeries, paediatric population and has shown promising results. There is however, limited data supporting its role in neurosurgical population. We strongly feel, it might play a key role in future. It has significant advantages over other neuromonitoring modalities, but more technological advances are needed before it can be used more widely into clinical practice.

Evaluation of portable near-infrared spectroscopy for organic milk authentication.

Science.gov (United States)

Liu, Ningjing; Parra, Hector Aya; Pustjens, Annemieke; Hettinga, Kasper; Mongondry, Philippe; van Ruth, Saskia M

2018-07-01

Organic products are vulnerable to fraud due to their premium price. Analytical methodology helps to manage the risk of fraud and due to the miniaturization of equipment, tests may nowadays even be rapidly applied on-site. The current study aimed to evaluate portable near infrared spectroscopy (NIRS) in combination with chemometrics to distinguish organic milk from other types of milk, and compare its performance with benchtop NIRS and fatty acid profiling by gas chromatography. The sample set included 37 organic retail milks and 50 non-organic retail milks (of which 36 conventional and 14 green 'pasture' milks). Partial least squares discriminant analysis was performed to build classification models and kernel density estimation (KDE) functions were calculated to generate non-parametric distributions for samples' class probabilities. These distributions showed that portable NIRS was successful to distinguish organic milks from conventional milks, and so were benchtop NIRS and fatty acid profiling procedures. However, it was less successful when 'pasture' milks were considered too, since their patterns occasionally resembled those of the organic milk group. Fatty acid profiling was capable of distinguishing organic milks from both non-organic milks though, including the 'pasture' milks. This comparative study revealed that the classification performance of the portable NIRS for this application was similar to that of the benchtop NIRS. Copyright © 2018 Elsevier B.V. All rights reserved.

Quality control of the paracetamol drug by chemometrics and imaging spectroscopy in the near infrared region

Science.gov (United States)

Baptistao, Mariana; Rocha, Werickson Fortunato de Carvalho; Poppi, Ronei Jesus

2011-09-01

In this work, it was used imaging spectroscopy and chemometric tools for the development and analysis of paracetamol and excipients in pharmaceutical formulations. It was also built concentration maps to study the distribution of the drug in the tablets surface. Multivariate models based on PLS regression were developed for paracetamol and excipients concentrations prediction. For the construction of the models it was used 31 samples in the tablet form containing the active principle in a concentration range of 30.0-90.0% (w/w) and errors below to 5% were obtained for validation samples. Finally, the study of the distribution in the drug was performed through the distribution maps of concentration of active principle and excipients. The analysis of maps showed the complementarity between the active principle and excipients in the tablets. The region with a high concentration of a constituent must have, necessarily, absence or low concentration of the other one. Thus, an alternative method for the paracetamol drug quality monitoring is presented.

Cerebral near infrared spectroscopy oximetry in extremely preterm infants

DEFF Research Database (Denmark)

Hyttel-Sorensen, Simon; Pellicer, Adelina; Alderliesten, Thomas

2015-01-01

OBJECTIVE: To determine if it is possible to stabilise the cerebral oxygenation of extremely preterm infants monitored by cerebral near infrared spectroscopy (NIRS) oximetry. DESIGN: Phase II randomised, single blinded, parallel clinical trial. SETTING: Eight tertiary neonatal intensive care unit...

Analytical applications of spectroscopy

International Nuclear Information System (INIS)

Creaser, C.S.

1988-01-01

This book provides an up to date overview of recent developments in analytical spectroscopy, with a particular emphasis on the common themes of chromatography - spectroscopy combinations, Fourier transform methods, and data handling techniques, which have played an increasingly important part in the development of all spectroscopic techniques. The book contains papers originally presented at a conference entitled 'Spectroscopy Across The Spectrum' held jointly with the first 'International Near Infrared Spectroscopy Conference' at the University of East Anglia, Norwich, UK, in July 1987, which have been edited and rearranged with some additional material. Each section includes reviews of key areas of current research as well as short reports of new developments. The fields covered are: Near Infrared Spectroscopy; Infrared Spectroscopy; Mass Spectroscopy; NMR Spectroscopy; Atomic and UV/Visible Spectroscopy; Chemometrics and Data Analysis. (author)

[Application of near-infrared spectroscopy in golf turfgrass management].

Science.gov (United States)

Li, Shu-Ying; Han, Jian-Guo

2008-07-01

The management of golf course is different from other turfs. Its particularity lies in its higher and more precise requirement during maintenance compare with other turfs. In case something happened to turf of golf course, more effective and higher speed detecting and resolution are required. Only the data about turf growth and environment were mastered precisely in time, the friendly environmental and scientific management goal could be completed effectively and economically. The near infrared spectroscopy is a new kind of effective, convenient and non-destructive analytical method in the turfgrass management of golf course in recent years. Many factors of turf-soil system in golf course could be determined by near infrared spectroscopy at the same time. In this paper, the existing literature that use of near infrared spectroscopy to study turfgrass and soil nutrient content, soil hygroscopic moisture, feasible fertilizer application time and rate, to fix the time and volume of irrigation, turfgrass visual quality evaluation, turfgrass disease prediction and prevention were reviewed. Most researchers considered the nutrition condition of turf impacted the visual and playing quality of golf course directly and then indirectly influenced most of assistant cultivation such as fertilization, mowing and irrigation and so on. The using of NIRS can detect the nutrient content of turfgrass effectively and estimate the nutrient is excessive or deficient quickly. And then the feasible time and rate of fertilizers can be decided. Comparing with the common judgment ways based on the season fertilization and visual estimation, the using of NIRS can reduce the application of fertilizers on the base of keeping the same turf quality simultaneously. NIRS can analysis many items of soil such as moisture, elements concentration, textures on the spot by the thousands. This method can get lots of cover-all data non-destructively. What's more, NIRS can analysis soil betimes quickly

Near-infrared spectroscopy can reveal increases in brain activity related to animal-assisted therapy.

Science.gov (United States)

Morita, Yuka; Ebara, Fumio; Morita, Yoshimitsu; Horikawa, Etsuo

2017-08-01

[Purpose] Previous studies have indicated that animal-assisted therapy can promote recovery of psychological, social, and physiological function in mental disorders. This study was designed as a pilot evaluation of the use of near-infrared spectroscopy to objectively identify changes in brain activity that could mediate the effect of animal-assisted therapy. [Subjects and Methods] The participants were 20 healthy students (10 males and 10 females; age 19-21 years) of the Faculty of Agriculture, Saga University. Participants were shown a picture of a Tokara goat or shack (control) while prefrontal cortical oxygenated haemoglobin levels (representing neural activity) were measured by near-infrared spectroscopy. [Results] The prefrontal cortical near-infrared spectroscopy signal was significantly higher during viewing of the animal picture than during a rest condition or during viewing of the control picture. [Conclusion] Our results suggest that near-infrared spectroscopy can be used to objectively identify brain activity changes during human mentation regarding animals; furthermore, these preliminary results suggest the efficacy of animal-assisted therapy could be related to increased activation of the prefrontal cortex.

Near-Infrared Spectroscopy Analysis of Heavy Fuel Oils Using a New Diffusing Support.

Science.gov (United States)

Dupuy, Nathalie; Brahem, Zeineb; Amat, Sandrine; Kister, Jacky

2015-10-01

The characterization of heavy fuel oils (HFOs), used as fuel for boats, requires the analysis of various properties that are essential for engine optimization and pollution control. For some time, near-infrared (NIR) spectroscopy combined with chemometric treatment of the spectra was used for on-line analysis. This preliminary study included 61 heavy fuels from Europe, America, and Asia with different specifications according to their geographical origin; their refining process; and their physicochemical properties, including density, flash point, viscosity, and sulfur content. We have developed a new method for sampling heavy fuels on a fiberglass cell support. This support offers the advantages of speed, easy implementation, repeatable results, and freedom from problems associated with tank cleaning. Two sample presentations, an integrating sphere and an optical fiber, were used to collect the NIR spectra. A theoretical study of the choice of the value of resolution, scan number, and spectral region was conducted. The best conditions were chosen as a function of the quality of quantitative analysis results on viscosity, sulfur content, flash point, and density. The two collecting methods were compared on the same criteria.

Quantifying cerebral hypoxia by near-infrared spectroscopy tissue oximetry

DEFF Research Database (Denmark)

Rasmussen, Martin B.; Eriksen, Vibeke R.; Andresen, Bjørn

2017-01-01

Tissue oxygenation estimated by near-infrared spectroscopy (NIRS) is a volume-weighted mean of the arterial and venous hemoglobin oxygenation. In vivo validation assumes a fixed arterial-to-venous volume-ratio (AV-ratio). Regulatory cerebro-vascular mechanisms may change the AV-ratio. We used...

Determination of Chinese rice wine from different wineries by near-infrared spectroscopy combined with chemometrics methods

Science.gov (United States)

Niu, Xiaoying; Ying, Yibin; Yu, Haiyan; Xie, Lijuan; Fu, Xiaping; Zhou, Ying; Jiang, Xuesong

2007-09-01

In this paper, 104 samples of Chinese rice wines of the same variety (Shaoxing rice wine), collected in three winery ("guyuelongshan", "pagoda" brand, "kuaijishan"), three brewed years (2002, 2004, 2004-2006) were analyzed by near-infrared transmission spectroscopy between 800 and 2500 nm. The spectral differences were studied by principal components analysis (PCA), and Classifications, according the brand, were carried out by discriminant analysis (DA) and partial least squares discriminant analysis (PLSDA). The DA model gained a total accuracy of 94.23% and when used to predict the brand of the validation set samples, a better result, correctly classified all of the three kinds of Chinese rice wine up to 100%, are obtained by PLSDA model. The work reported here is a feasibility study and requires further development with considerable samples of more different brands. Further studies are needed in order to improve the accuracy and robustness, and to extend the discrimination to other Chinese rice wine varieties or brands.

Monitoring Industrial Food Processes Using Spectroscopy & Chemometrics

DEFF Research Database (Denmark)

Pedersen, Dorthe Kjær; Engelsen, Søren Balling

2001-01-01

In the last decade rapid spectroscopic measurements have revolutionized quality control in practically all areas of primary food and feed production. Near-infrared spectroscopy (NIR & NIT) has been implemented for monitoring the quality of millions of samples of cereals, milk and meat with unprec......In the last decade rapid spectroscopic measurements have revolutionized quality control in practically all areas of primary food and feed production. Near-infrared spectroscopy (NIR & NIT) has been implemented for monitoring the quality of millions of samples of cereals, milk and meat...

Effect of motion artifacts and their correction on near-infrared spectroscopy oscillation data

DEFF Research Database (Denmark)

Selb, Juliette; Yücel, Meryem A; Phillip, Dorte

2015-01-01

Functional near-infrared spectroscopy is prone to contamination by motion artifacts (MAs). Motion correction algorithms have previously been proposed and their respective performance compared for evoked rain activation studies. We study instead the effect of MAs on "oscillation" data which...... in the frequency band around 0.1 and 0.04 Hz, suggesting a physiological origin for the difference. We emphasize the importance of considering MAs as a confounding factor in oscillation-based functional near-infrared spectroscopy studies....

A Cross-Sectional Survey of Near-Infrared Spectroscopy Use in Pediatric Cardiac ICUs in the United Kingdom, Ireland, Italy, and Germany.

Science.gov (United States)

Hoskote, Aparna U; Tume, Lyvonne N; Trieschmann, Uwe; Menzel, Christoph; Cogo, Paola; Brown, Katherine L; Broadhead, Michael W

2016-01-01

Despite the increasing use of near-infrared spectroscopy across pediatric cardiac ICUs, there is significant variability and equipoise with no universally accepted management algorithms. We aimed to explore the use of near-infrared spectroscopy in pediatric cardiac ICUs in the United Kingdom, Ireland, Italy, and Germany. A cross-sectional multicenter, multinational electronic survey of one consultant in each pediatric cardiac ICU. Pediatric cardiac ICUs in the United Kingdom and Ireland (n = 13), Italy (n = 12), and Germany (n = 33). Questionnaire targeted to establish use, targets, protocols/thresholds for intervention, and perceived usefulness of near-infrared spectroscopy monitoring. Overall, 42 of 58 pediatric cardiac ICUs (72%) responded: United Kingdom and Ireland, 11 of 13 (84.6%); Italy, 12 of 12 (100%); and Germany, 19 of 33 (57%, included all major centers). Near-infrared spectroscopy usage varied with 35% (15/42) reporting that near-infrared spectroscopy was not used at all (7/42) or occasionally (8/42); near-infrared spectroscopy use was much less common in the United Kingdom (46%) when compared with 78% in Germany and all (100%) in Italy. Only four units had a near-infrared spectroscopy protocol, and 18 specifically used near-infrared spectroscopy in high-risk patients; 37 respondents believed that near-infrared spectroscopy added value to standard monitoring and 23 believed that it gave an earlier indication of deterioration, but only 19 would respond based on near-infrared spectroscopy data alone. Targets for absolute values and critical thresholds for intervention varied widely between units. The reasons cited for not or occasionally using near-infrared spectroscopy were expense (n = 6), limited evidence and uncertainty on how it guides management (n = 4), difficulty in interpretation, and unreliability of data (n = 3). Amongst the regular or occasional near-infrared spectroscopy users (n = 35), 28 (66%) agreed that a multicenter study is warranted

Pharmaceutical Raw Material Identification Using Miniature Near-Infrared (MicroNIR) Spectroscopy and Supervised Pattern Recognition Using Support Vector Machine.

Science.gov (United States)

Sun, Lan; Hsiung, Chang; Pederson, Christopher G; Zou, Peng; Smith, Valton; von Gunten, Marc; O'Brien, Nada A

2016-05-01

Near-infrared spectroscopy as a rapid and non-destructive analytical technique offers great advantages for pharmaceutical raw material identification (RMID) to fulfill the quality and safety requirements in pharmaceutical industry. In this study, we demonstrated the use of portable miniature near-infrared (MicroNIR) spectrometers for NIR-based pharmaceutical RMID and solved two challenges in this area, model transferability and large-scale classification, with the aid of support vector machine (SVM) modeling. We used a set of 19 pharmaceutical compounds including various active pharmaceutical ingredients (APIs) and excipients and six MicroNIR spectrometers to test model transferability. For the test of large-scale classification, we used another set of 253 pharmaceutical compounds comprised of both chemically and physically different APIs and excipients. We compared SVM with conventional chemometric modeling techniques, including soft independent modeling of class analogy, partial least squares discriminant analysis, linear discriminant analysis, and quadratic discriminant analysis. Support vector machine modeling using a linear kernel, especially when combined with a hierarchical scheme, exhibited excellent performance in both model transferability and large-scale classification. Hence, ultra-compact, portable and robust MicroNIR spectrometers coupled with SVM modeling can make on-site and in situ pharmaceutical RMID for large-volume applications highly achievable. © The Author(s) 2016.

Practical guide to interpretive near-infrared spectroscopy

CERN Document Server

Workman, Jr, Jerry

2007-01-01

Containing focused, comprehensive coverage, Practical Guide to Interpretive Near-Infrared Spectroscopy gives you the tools necessary to interpret NIR spectra. The authors present extensive tables, charts, and figures with NIR absorption band assignments and structural information for a broad range of functional groups, organic compounds, and polymers. They include visual spectral representation of all major compound functional groupings and NIR frequency ranges. Organized by functional group type and chemical structure, based on standard compound classification, the chapters are easy to

Chemometric correlation of shelf life, quality measurements, and visible-near infrared spectra of pasteurized eggs

Science.gov (United States)

A twelve week study was conducted on the egg albumen from both pasteurized and non-pasteurized shell eggs using visible-near infrared spectroscopy. Correlation of the chemical changes detected in the spectra to the measurement of Haugh units (measure of interior egg quality) was carried out using pr...

Breast phantom for mammary tissue characterization by near infrared spectroscopy

International Nuclear Information System (INIS)

Miranda, D A; Cristiano, K L; Gutiérrez, J C

2013-01-01

Breast cancer is a disease associated to a high morbidity and mortality in the entire world. In the study of early detection of breast cancer the development of phantom is so important. In this research we fabricate a breast phantom using a ballistic gel with special modifications to simulate a normal and abnormal human breast. Optical properties of woman breast in the near infrared region were modelled with the phantom we developed. The developed phantom was evaluated with near infrared spectroscopy in order to study its relation with breast tissue. A good optical behaviour was achieved with the model fabricated

On-Line Monitoring of Fermentation Processes by Near Infrared and Fluorescence Spectroscopy

DEFF Research Database (Denmark)

Svendsen, Carina

Monitoring and control of fermentation processes is important to ensure high product yield, product quality and product consistency. More knowledge on on-line analytical techniques such as near infrared and fluorescence spectroscopy is desired in the fermentation industry to increase the efficiency...... of on-line monitoring systems. The primary aim of this thesis is to elucidate and explore the dynamics in fermentation processes by spectroscopy. Though a number of successful on-line lab-scale monitoring systems have been reported, it seems that several challenges are still met, which limits the number...... of full-scale systems implemented in industrial fermentation processes. This thesis seeks to achieve a better understanding of the techniques near infrared and fluorescence spectroscopy and thereby to solve some of the challenges that are encountered. The thesis shows the advantages of applying real...

Experimental Design, Near-Infrared Spectroscopy, and Multivariate Calibration: An Advanced Project in a Chemometrics Course

Science.gov (United States)

de Oliveira, Rodrigo R.; das Neves, Luiz S.; de Lima, Kassio M. G.

2012-01-01

A chemometrics course is offered to students in their fifth semester of the chemistry undergraduate program that includes an in-depth project. Students carry out the project over five weeks (three 8-h sessions per week) and conduct it in parallel to other courses or other practical work. The students conduct a literature search, carry out…

Application of near-infrared spectroscopy to preservative-treated wood

Science.gov (United States)

Chi-Leung So; Stan T. Lebow; Thomas L. Eberhardt; Leslie H. Groom; Todd F. Shupe

2009-01-01

Near infrared (NIR) spectroscopy is now a widely-used technique in the field of forest products, especially for physical and mechanical property determinations. This technique is also ideal for the chemical analysis of wood. There has been a growing need to find a rapid, inexpensive and reliable method to distinguish between preservative-treated and untreated waste...

Noncontact blood species identification method based on spatially resolved near-infrared transmission spectroscopy

Science.gov (United States)

Zhang, Linna; Sun, Meixiu; Wang, Zhennan; Li, Hongxiao; Li, Yingxin; Li, Gang; Lin, Ling

2017-09-01

The inspection and identification of whole blood are crucially significant for import-export ports and inspection and quarantine departments. In our previous research, we proved Near-Infrared diffuse transmitted spectroscopy method was potential for noninvasively identifying three blood species, including macaque, human and mouse, with samples measured in the cuvettes. However, in open sampling cases, inspectors may be endangered by virulence factors in blood samples. In this paper, we explored the noncontact measurement for classification, with blood samples measured in the vacuum blood vessels. Spatially resolved near-infrared spectroscopy was used to improve the prediction accuracy. Results showed that the prediction accuracy of the model built with nine detection points was more than 90% in identification between all five species, including chicken, goat, macaque, pig and rat, far better than the performance of the model built with single-point spectra. The results fully supported the idea that spatially resolved near-infrared spectroscopy method can improve the prediction ability, and demonstrated the feasibility of this method for noncontact blood species identification in practical applications.

Near-infrared spectroscopy. Innovative technology summary report

International Nuclear Information System (INIS)

1999-07-01

A near-infrared (NIR) spectroscopy system with a remote fiber-optic probe was developed and demonstrated to measure the water content of high-level radioactive wastes from the underground storage tanks at the Hanford Site in richland Washington. The technology was developed as a cost-effective and safer alternative to the thermogravimetric analysis (TGA) technique in use as the baseline. This work was supported by the Tanks Focus Area (TFA) within the Department of Energy's (DOE) Office of Science and Technology (OST) in cooperation with the Hanford Tank Waste Remediation System (TWRS) Program

Evaluation of portable near-infrared spectroscopy for organic milk authentication

NARCIS (Netherlands)

Liu, Ningjing; Parra, Hector Aya; Pustjens, Annemieke; Hettinga, Kasper; Mongondry, Philippe; Ruth, van Saskia M.

2018-01-01

Organic products are vulnerable to fraud due to their premium price. Analytical methodology helps to manage the risk of fraud and due to the miniaturization of equipment, tests may nowadays even be rapidly applied on-site. The current study aimed to evaluate portable near infrared spectroscopy

Portable visible and near-infrared spectrophotometer for triglyceride measurements.

Science.gov (United States)

Kobayashi, Takanori; Kato, Yukiko Hakariya; Tsukamoto, Megumi; Ikuta, Kazuyoshi; Sakudo, Akikazu

2009-01-01

An affordable and portable machine is required for the practical use of visible and near-infrared (Vis-NIR) spectroscopy. A portable fruit tester comprising a Vis-NIR spectrophotometer was modified for use in the transmittance mode and employed to quantify triglyceride levels in serum in combination with a chemometric analysis. Transmittance spectra collected in the 600- to 1100-nm region were subjected to a partial least-squares regression analysis and leave-out cross-validation to develop a chemometrics model for predicting triglyceride concentrations in serum. The model yielded a coefficient of determination in cross-validation (R2VAL) of 0.7831 with a standard error of cross-validation (SECV) of 43.68 mg/dl. The detection limit of the model was 148.79 mg/dl. Furthermore, masked samples predicted by the model yielded a coefficient of determination in prediction (R2PRED) of 0.6856 with a standard error of prediction (SEP) and detection limit of 61.54 and 159.38 mg/dl, respectively. The portable Vis-NIR spectrophotometer may prove convenient for the measurement of triglyceride concentrations in serum, although before practical use there remain obstacles, which are discussed.

Is near-infrared spectroscopy clinically useful in the preterm infant?

DEFF Research Database (Denmark)

da Costa, Cristine Sortica; Greisen, Gorm; Austin, Topun

2015-01-01

Near-infrared spectroscopy (NIRS) has been used to study cerebral haemodynamics and oxygenation in the preterm infant for many years, but its use as a clinical tool has remained elusive. This has partly been due to the challenges of providing a continuous quantitative measurement that is valid an...

Classification of different tomato seed cultivars by multispectral visible-near infrared spectroscopy and chemometrics

DEFF Research Database (Denmark)

Shrestha, Santosh; Deleuran, Lise Christina; Gislum, René

2016-01-01

nm were extracted from multispectral images of tomato seeds. Principal component analysis (PCA) was used for data exploration, while partial least squares discriminant analysis (PLS-DA) and support vector machine discriminant analysis (SVM-DA) were used to classify the five different tomato cultivars....... The results showed very good classification accuracy for two independent test sets ranging from 94% to 100% for all tomato cultivars irrespective of chemometric methods. The overall classification error rates were 3.2% and 0.4% for the PLS-DA and SVM-DA calibration models, respectively. The results indicate...

Mid-infrared upconversion spectroscopy

DEFF Research Database (Denmark)

Tidemand-Lichtenberg, Peter; Dam, Jeppe Seidelin; Andersen, H. V.

2016-01-01

Mid-infrared (MIR) spectroscopy is emerging as an attractive alternative to near-infrared or visible spectroscopy. MIR spectroscopy offers a unique possibility to probe the fundamental absorption bands of a large number of gases as well as the vibrational spectra of complex molecules. In this paper...

Near-Infrared Spectroscopy as an Analytical Process Technology for the On-Line Quantification of Water Precipitation Processes during Danhong Injection.

Science.gov (United States)

Liu, Xuesong; Wu, Chunyan; Geng, Shu; Jin, Ye; Luan, Lianjun; Chen, Yong; Wu, Yongjiang

2015-01-01

This paper used near-infrared (NIR) spectroscopy for the on-line quantitative monitoring of water precipitation during Danhong injection. For these NIR measurements, two fiber optic probes designed to transmit NIR radiation through a 2 mm flow cell were used to collect spectra in real-time. Partial least squares regression (PLSR) was developed as the preferred chemometrics quantitative analysis of the critical intermediate qualities: the danshensu (DSS, (R)-3, 4-dihydroxyphenyllactic acid), protocatechuic aldehyde (PA), rosmarinic acid (RA), and salvianolic acid B (SAB) concentrations. Optimized PLSR models were successfully built and used for on-line detecting of the concentrations of DSS, PA, RA, and SAB of water precipitation during Danhong injection. Besides, the information of DSS, PA, RA, and SAB concentrations would be instantly fed back to site technical personnel for control and adjustment timely. The verification experiments determined that the predicted values agreed with the actual homologic value.

Predicting rapeseed oil content with near-infrared spectroscopy

Directory of Open Access Journals (Sweden)

Roberta Rossato

2013-12-01

Full Text Available The objective of this work was to establish a calibration equation and to estimate the efficiency of near-infrared reflectance (NIR spectroscopy for evaluating rapeseed oil content in Southern Brazil. Spectral data from 124 half-sib families were correlated with oil contents determined by the chemical method. The accuracy of the equation was verified by coefficient of determination (R² of 0.92, error of calibration (SEC of 0.78, and error of performance (SEP of 1.22. The oil content of ten genotypes, which were not included in the calibration with NIR, was similar to the one obtained by the standard chemical method. NIR spectroscopy is adequate to differentiate oil content of rapeseed genotypes.

Prediction of tablets disintegration times using near-infrared diffuse reflectance spectroscopy as a nondestructive method.

Science.gov (United States)

Donoso, M; Ghaly, Evone S

2005-01-01

The goals of this study are to user near-infrared reflectance (NIR) spectroscopy to measure the disintegration time of a series of tablets compacted at different compressional forces, calibrate NIR data vs. laboratory equipment data, develop a model equation, validate the model, and test the model's predictive ability. Seven theophylline tablet formulations of the same composition but with different disintegration time values (0.224, 1.141, 2.797, 5.492, 9.397, 16.8, and 30.092 min) were prepared along with five placebo tablet formulations with different disintegration times. Laboratory disintegration time was compared to near-infrared diffuse reflectance data. Linear regression, quadratic, cubic, and partial least square techniques were used to determine the relationship between disintegration time and near-infrared spectra. The results demonstrated that an increase in disintegration time produced an increase in near-infrared absorbance. Series of model equations, which depended on the mathematical technique used for regression, were developed from the calibration of disintegration time using laboratory equipment vs. the near-infrared diffuse reflectance for each formulation. The results of NIR disintegration time were similar to laboratory tests. The near-infrared diffuse reflectance spectroscopy method is an alternative nondestructive method for measurement of disintegration time of tablets.

Near-infrared spectroscopy used to predict soybean seed germination and vigor

Science.gov (United States)

The potential of using near-infrared (NIR) spectroscopy for differentiating levels in germination, vigor, and electrical conductivity of soybean seeds was investigated. For the 243 spectral data collected using the Perten DA7200, stratified sampling was used to obtain three calibration sets consisti...

Using near infrared spectroscopy to classify soybean oil according to expiration date.

Science.gov (United States)

da Costa, Gean Bezerra; Fernandes, David Douglas Sousa; Gomes, Adriano A; de Almeida, Valber Elias; Veras, Germano

2016-04-01

A rapid and non-destructive methodology is proposed for the screening of edible vegetable oils according to conservation state expiration date employing near infrared (NIR) spectroscopy and chemometric tools. A total of fifty samples of soybean vegetable oil, of different brands andlots, were used in this study; these included thirty expired and twenty non-expired samples. The oil oxidation was measured by peroxide index. NIR spectra were employed in raw form and preprocessed by offset baseline correction and Savitzky-Golay derivative procedure, followed by PCA exploratory analysis, which showed that NIR spectra would be suitable for the classification task of soybean oil samples. The classification models were based in SPA-LDA (Linear Discriminant Analysis coupled with Successive Projection Algorithm) and PLS-DA (Discriminant Analysis by Partial Least Squares). The set of samples (50) was partitioned into two groups of training (35 samples: 15 non-expired and 20 expired) and test samples (15 samples 5 non-expired and 10 expired) using sample-selection approaches: (i) Kennard-Stone, (ii) Duplex, and (iii) Random, in order to evaluate the robustness of the models. The obtained results for the independent test set (in terms of correct classification rate) were 96% and 98% for SPA-LDA and PLS-DA, respectively, indicating that the NIR spectra can be used as an alternative to evaluate the degree of oxidation of soybean oil samples. Copyright © 2015 Elsevier Ltd. All rights reserved.

Potential use of visible and near-infrared spectroscopy for pine ...

African Journals Online (AJOL)

The correct identification of pine species is necessary for proper application of wood in forest-based industries, since the quality of each species' wood depends on factors intrinsic to the material. The aim of this study was to evaluate the potential use of near-infrared and visible spectroscopy in the discrimination of pine ...

Towards a Low-Cost Mobile Subcutaneous Vein Detection Solution Using Near-Infrared Spectroscopy

Directory of Open Access Journals (Sweden)

Simon Juric

2014-01-01

Full Text Available Excessive venipunctures are both time- and resource-consuming events, which cause anxiety, pain, and distress in patients, or can lead to severe harmful injuries. We propose a low-cost mobile health solution for subcutaneous vein detection using near-infrared spectroscopy, along with an assessment of the current state of the art in this field. The first objective of this study was to get a deeper overview of the research topic, through the initial team discussions and a detailed literature review (using both academic and grey literature. The second objective, that is, identifying the commercial systems employing near-infrared spectroscopy, was conducted using the PubMed database. The goal of the third objective was to identify and evaluate (using the IEEE Xplore database the research efforts in the field of low-cost near-infrared imaging in general, as a basis for the conceptual model of the upcoming prototype. Although the reviewed commercial devices have demonstrated usefulness and value for peripheral veins visualization, other evaluated clinical outcomes are less conclusive. Previous studies regarding low-cost near-infrared systems demonstrated the general feasibility of developing cost-effective vein detection systems; however, their limitations are restricting their applicability to clinical practice. Finally, based on the current findings, we outline the future research direction.

Towards a low-cost mobile subcutaneous vein detection solution using near-infrared spectroscopy.

Science.gov (United States)

Juric, Simon; Flis, Vojko; Debevc, Matjaz; Holzinger, Andreas; Zalik, Borut

2014-01-01

Excessive venipunctures are both time- and resource-consuming events, which cause anxiety, pain, and distress in patients, or can lead to severe harmful injuries. We propose a low-cost mobile health solution for subcutaneous vein detection using near-infrared spectroscopy, along with an assessment of the current state of the art in this field. The first objective of this study was to get a deeper overview of the research topic, through the initial team discussions and a detailed literature review (using both academic and grey literature). The second objective, that is, identifying the commercial systems employing near-infrared spectroscopy, was conducted using the PubMed database. The goal of the third objective was to identify and evaluate (using the IEEE Xplore database) the research efforts in the field of low-cost near-infrared imaging in general, as a basis for the conceptual model of the upcoming prototype. Although the reviewed commercial devices have demonstrated usefulness and value for peripheral veins visualization, other evaluated clinical outcomes are less conclusive. Previous studies regarding low-cost near-infrared systems demonstrated the general feasibility of developing cost-effective vein detection systems; however, their limitations are restricting their applicability to clinical practice. Finally, based on the current findings, we outline the future research direction.

Differentiation of Body Fluid Stains on Fabrics Using External Reflection Fourier Transform Infrared Spectroscopy (FT-IR) and Chemometrics.

Science.gov (United States)

Zapata, Félix; de la Ossa, Ma Ángeles Fernández; García-Ruiz, Carmen

2016-04-01

Body fluids are evidence of great forensic interest due to the DNA extracted from them, which allows genetic identification of people. This study focuses on the discrimination among semen, vaginal fluid, and urine stains (main fluids in sexual crimes) placed on different colored cotton fabrics by external reflection Fourier transform infrared spectroscopy (FT-IR) combined with chemometrics. Semen-vaginal fluid mixtures and potential false positive substances commonly found in daily life such as soaps, milk, juices, and lotions were also studied. Results demonstrated that the IR spectral signature obtained for each body fluid allowed its identification and the correct classification of unknown stains by means of principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA). Interestingly, results proved that these IR spectra did not show any bands due to the color of the fabric and no substance of those present in daily life which were analyzed, provided a false positive. © The Author(s) 2016.

The application of Near Infrared Reflectance Spectroscopy (NIRS for the quantitative analysis of hydrocortisone in primary materials

Directory of Open Access Journals (Sweden)

A. PITTAS

2001-03-01

Full Text Available Near Infrared Reflectance Spectroscopy (NIRS, coupled with fiber optic probes, has been shown to be a quick and reliable analytical tool for quality assurance and quality control in the pharmaceutical industry, both for verifications of raw materials and quantification of the active ingredients in final products. In this paper, a typical pharmaceutical product, hydrocortisone sodium succinate, is used as an example for the application of NIR spectroscopy for quality control. In order to develop an NIRS method with higher precision and accuracy than the official UV/VIS spectroscopic method (BP '99, 19 samples, taken from one year’s production and several prepared in the laboratory, having a hydrocortisone sodium succinate concentration in the range from 89.05%to 95.83 %, were analysed by NIR and UV/VIS spectroscopy. Three frequency ranges: 5939.73–5627.32 cm-1; 4863.64 – 4574.36 cm-1; 4308.23–4200.24 cm-1, with the best positive correlation between the changes in the spectral and concentration data, were chosen. The validity of the developed NIRS chemometric method for the determination of the hydrocortisone sodium succinate concentration, constructed by the partial least squares (PLS regression technique, is discussed. A correlation coefficient of 0.9758 and a standard error of cross validation (RMSECVof 1.06%were found between the UV/VI Sand òhe NIR spectroscopic results of the hydrocortisone sodium succinate concentration in the samples.

Near infrared spectroscopy (NIRS) to monitor tissue haemoglobin (and myoglobin) oxygenation

NARCIS (Netherlands)

Scheeren, T. W. L.

2010-01-01

Introduction: Tissue oxygenation may be monitored noninvasively by near infrared spectroscopy (NIRS) both on the thenar eminescence (muscle) and on the forehead (brain). Thenar measurement have been used to guide therapy in trauma patients ( 1 ) and to determine the prognosis of septic patients ( 2

Background and state of the art of near infrared spectroscopy in the forest sector base

International Nuclear Information System (INIS)

Muñiz, G.I.B. de; Magalhães, W.L.E.; Carneiro, M.E.; Viana, L.C.

2012-01-01

The knowledge of wood properties is the fundamental importance for the indication of the potential and use of this material. In the search for new alternatives for a fast, simple and reliable characterization, there are the non-destructive evaluations of wood. The near infrared spectroscopy (NIRS) has been used as a non-destructive method that allows qualitative and quantitative information of the constituents of biomass through the interaction of electromagnetic waves with near-infrared next to the sample. This work aims to provide a review of the technique of near infrared spectroscopy and its application in forestry. The technique is used in virtually all areas due to the level of development that this technology has reached in recent years. NIR spectroscopy has proved a quick and efficient replacement of several tests that determine the quality of the wood. This is a literature review and state of the art on the theme [pt

BACKGROUND AND STATE OF THEE ART OF NEAR INFRARED SPECTROSCOPY IN THE FOREST SECTOR BASE

Directory of Open Access Journals (Sweden)

Graciela Inês Bolzon de Muñiz

2012-12-01

Full Text Available http://dx.doi.org/10.5902/198050987567The knowledge of wood properties is the fundamental importance for the indication of the potential and use of this material. In the search for new alternatives for a fast, simple and reliable characterization, there are the non-destructive evaluations of wood. The near infrared spectroscopy (NIRS has been used as a non-destructive method that allows qualitative and quantitative information of the constituents of biomass through the interaction of electromagnetic waves with near-infrared next to the sample. This work aims to provide a review of the technique of near infrared spectroscopy and its application in forestry. The technique is used in virtually all areas due to the level of development that this technology has reached in recent years. NIR spectroscopy has proved a quick and efficient replacement of several tests that determine the quality of the wood. This is a literature review and state of the art on the theme.

Application of multivariate chemometric techniques for simultaneous determination of five parameters of cottonseed oil by single bounce attenuated total reflectance Fourier transform infrared spectroscopy.

Science.gov (United States)

Talpur, M Younis; Kara, Huseyin; Sherazi, S T H; Ayyildiz, H Filiz; Topkafa, Mustafa; Arslan, Fatma Nur; Naz, Saba; Durmaz, Fatih; Sirajuddin

2014-11-01

Single bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) spectroscopy in conjunction with chemometrics was used for accurate determination of free fatty acid (FFA), peroxide value (PV), iodine value (IV), conjugated diene (CD) and conjugated triene (CT) of cottonseed oil (CSO) during potato chips frying. Partial least square (PLS), stepwise multiple linear regression (SMLR), principal component regression (PCR) and simple Beer׳s law (SBL) were applied to develop the calibrations for simultaneous evaluation of five stated parameters of cottonseed oil (CSO) during frying of French frozen potato chips at 170°C. Good regression coefficients (R(2)) were achieved for FFA, PV, IV, CD and CT with value of >0.992 by PLS, SMLR, PCR, and SBL. Root mean square error of prediction (RMSEP) was found to be less than 1.95% for all determinations. Result of the study indicated that SB-ATR FTIR in combination with multivariate chemometrics could be used for accurate and simultaneous determination of different parameters during the frying process without using any toxic organic solvent. Copyright © 2014 Elsevier B.V. All rights reserved.

Near-Infrared Spectroscopy as an Analytical Process Technology for the On-Line Quantification of Water Precipitation Processes during Danhong Injection

Directory of Open Access Journals (Sweden)

Xuesong Liu

2015-01-01

Full Text Available This paper used near-infrared (NIR spectroscopy for the on-line quantitative monitoring of water precipitation during Danhong injection. For these NIR measurements, two fiber optic probes designed to transmit NIR radiation through a 2 mm flow cell were used to collect spectra in real-time. Partial least squares regression (PLSR was developed as the preferred chemometrics quantitative analysis of the critical intermediate qualities: the danshensu (DSS, (R-3, 4-dihydroxyphenyllactic acid, protocatechuic aldehyde (PA, rosmarinic acid (RA, and salvianolic acid B (SAB concentrations. Optimized PLSR models were successfully built and used for on-line detecting of the concentrations of DSS, PA, RA, and SAB of water precipitation during Danhong injection. Besides, the information of DSS, PA, RA, and SAB concentrations would be instantly fed back to site technical personnel for control and adjustment timely. The verification experiments determined that the predicted values agreed with the actual homologic value.

Influence of earlobe thickness on near infrared spectroscopy

Science.gov (United States)

Jiang, Jingying; Wang, Tianpei; Li, Si; Li, Lin; Liu, Jiajia; Xu, Kexin

2017-03-01

Near-infrared spectroscopy has been recognized as a potential technology for noninvasive blood glucose sensing. However, the detected spectral signal is unstable mainly because of (1) the weak light absorption of glucose itself within NIR range, (2) the influence of temperature and individual differences of biotissue. Our previous results demonstrated that the synergistic effect of both transmittance and reflectance could enhance the strength of the detection signal. In this talk, we design a set of experiments to analyze the effect of earlobe thickness on Near Infrared spectroscopic measurement by using home-made optical fiber probe within the wavelength of 1000-1600nm. Firstly, we made a MC simulation of single-layer skin model and five-layer skin model to get the diffused transmittance spectra and diffused reflectance spectra under different optaical path lengths. And then we obtain the spectra of the earlobes from different volunteers by the same way. The experimental results showed that with the increase of the thickness,the light intensity of diffused transmittance decreases, and the light intensity of diffused reflectance remaines substantially unchanged.

Mid-infrared spectroscopy and multivariate analysis for determination of tetracycline residues in cow's milk

Directory of Open Access Journals (Sweden)

Lizeth Mariel Casarrubias-Torres

2018-01-01

Full Text Available Mid-infrared spectroscopy and chemometric analysis were tested to determine tetracycline's residues in cow's milk. Cow's milk samples (n = 30 were spiked with tetracycline, chlortetracycline, and oxytetracycline in the range of 10-400 µg/l. Chemometric models to quantify each of the tetracycline's residues were developed by applying Partial Components Regression and Partial Least Squares algorithms. The Soft Independent Modeling of Class Analogy model was used to differentiate between pure milk and milk sample with tetracycline residues. The best models for predicting the levels of these antibiotics were obtained using Partial Least Square 1 algorithm (coefficient of determination between 0.997-0.999 and the standard error of calibration from 1.81 to 2.95. The Soft Independent Modeling of Class Analogy model showed well-separated groups allowing classification of milk samples and milk sample with antibiotics. The obtained results demonstrate the great analytical potential of chemometrics coupled with mid-infrared spectroscopy for the prediction of antibiotic in cow's milk at a concentration of microgram per litre (µg/l. This technique can be used to verify the safety of the milk rapidly and reliably.

Measurement of soy contents in ground beef using near-infrared spectroscopy

Science.gov (United States)

Models for determining contents of soy products in ground beef were developed using near-infrared (NIR) spectroscopy. Samples were prepared by mixing four kinds of soybean protein products (Arconet, toasted soy grits, Profam and textured vegetable protein (TVP)) with ground beef (content from 0%–100...

Functional Near Infrared Spectroscopy: Enabling Routine Functional Brain Imaging.

Science.gov (United States)

Yücel, Meryem A; Selb, Juliette J; Huppert, Theodore J; Franceschini, Maria Angela; Boas, David A

2017-12-01

Functional Near-Infrared Spectroscopy (fNIRS) maps human brain function by measuring and imaging local changes in hemoglobin concentrations in the brain that arise from the modulation of cerebral blood flow and oxygen metabolism by neural activity. Since its advent over 20 years ago, researchers have exploited and continuously advanced the ability of near infrared light to penetrate through the scalp and skull in order to non-invasively monitor changes in cerebral hemoglobin concentrations that reflect brain activity. We review recent advances in signal processing and hardware that significantly improve the capabilities of fNIRS by reducing the impact of confounding signals to improve statistical robustness of the brain signals and by enhancing the density, spatial coverage, and wearability of measuring devices respectively. We then summarize the application areas that are experiencing rapid growth as fNIRS begins to enable routine functional brain imaging.

Pulsed near-infrared photoacoustic spectroscopy of blood

Science.gov (United States)

Laufer, Jan G.; Elwell, Clare E.; Delpy, Dave T.; Beard, Paul C.

2004-07-01

The aim of this study was to use pulsed near infrared photoacoustic spectroscopy to determine the oxygen saturation (SO2) of a saline suspension of red blood cells in vitro. The photoacoustic measurements were made in a cuvette which formed part of a larger circuit through which the red blood cell suspension was circulated. Oxygen saturation of the red blood cell suspension was altered between 2-3% to 100% in step increments using a membrane oxygenator and at each increment an independent measurement of oxygen saturation was made using a co-oximeter. An optical parametric oscillator laser system provided nanosecond excitation pulses at a number of wavelengths in the near-infrared spectrum (740-1040nm) which were incident on the cuvette. The resulting acoustic signals were detected using a broadband (15MHz) Fabry-Perot polymer film transducer. The optical transport coefficient and amplitude were determined from the acoustic signals as a function of wavelength. These data were then used to calculate the relative concentrations of oxy- and deoxyhaemoglobin, using their known specific absorption coefficients and an empirically determined wavelength dependence of optical scattering over the wavelength range investigated. From this, the oxygen saturation of the suspension was derived with an accuracy of +/-5% compared to the co-oximeter SO2 measurements.

Classification of jet fuel properties by near-infrared spectroscopy using fuzzy rule-building expert systems and support vector machines.

Science.gov (United States)

Xu, Zhanfeng; Bunker, Christopher E; Harrington, Peter de B

2010-11-01

Monitoring the changes of jet fuel physical properties is important because fuel used in high-performance aircraft must meet rigorous specifications. Near-infrared (NIR) spectroscopy is a fast method to characterize fuels. Because of the complexity of NIR spectral data, chemometric techniques are used to extract relevant information from spectral data to accurately classify physical properties of complex fuel samples. In this work, discrimination of fuel types and classification of flash point, freezing point, boiling point (10%, v/v), boiling point (50%, v/v), and boiling point (90%, v/v) of jet fuels (JP-5, JP-8, Jet A, and Jet A1) were investigated. Each physical property was divided into three classes, low, medium, and high ranges, using two evaluations with different class boundary definitions. The class boundaries function as the threshold to alarm when the fuel properties change. Optimal partial least squares discriminant analysis (oPLS-DA), fuzzy rule-building expert system (FuRES), and support vector machines (SVM) were used to build the calibration models between the NIR spectra and classes of physical property of jet fuels. OPLS-DA, FuRES, and SVM were compared with respect to prediction accuracy. The validation of the calibration model was conducted by applying bootstrap Latin partition (BLP), which gives a measure of precision. Prediction accuracy of 97 ± 2% of the flash point, 94 ± 2% of freezing point, 99 ± 1% of the boiling point (10%, v/v), 98 ± 2% of the boiling point (50%, v/v), and 96 ± 1% of the boiling point (90%, v/v) were obtained by FuRES in one boundaries definition. Both FuRES and SVM obtained statistically better prediction accuracy over those obtained by oPLS-DA. The results indicate that combined with chemometric classifiers NIR spectroscopy could be a fast method to monitor the changes of jet fuel physical properties.

Muscle metabolism from near infrared spectroscopy during rhythmic handgrip in humans

DEFF Research Database (Denmark)

Boushel, Robert Christopher; Pott, F; Madsen, P

1998-01-01

The rate of metabolism in forearm flexor muscles (MO2) was derived from near-infrared spectroscopy (NIRS-O2) during ischaemia at rest rhythmic handgrip at 15% and 30% of maximal voluntary contraction (MVC), post-exercise muscle ischaemia (PEMI), and recovery in seven subjects. The MO2 was compared...

The use of near infrared spectroscopy (NIRS) to predict the chemical ...

African Journals Online (AJOL)

resias

Keywords: NIRS, ostrich TMR, chemical composition, nutritive value ... For adequate feeding of livestock, farmers need information about the nutritive value of available .... presented a SD/SECV ratio value of less than three, which is regarded as fair, .... The current and future role of near infrared reflectance spectroscopy in.

Online analysis of wood pellets. Quality parameters by near infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Petersen Julius, Lars; Joergensen, Pia [Dong Energy Power, Fredericia (Denmark); Plejdrup Houmoeller, Lars [Arla Foods amba, Global Ingedients R and D, Videbaek (Denmark); Groenkaer Pedersen, Joan [Academy Engineer Chemistry Fertin Pharma, Vejle (Denmark); Anov, Dan

2010-07-01

A near infrared spectroscopy system was installed online in a wood pellet production facility. The objective was to translate real time spectra to useful chemical information, like calorific value, water- and ash content. It was possible to successfully determine water content and calorific value, whereas ash content proved troublesome. (orig.)

Near infrared spectroscopy for qualitative comparison of pharmaceutical batches.

Science.gov (United States)

Roggo, Y; Roeseler, C; Ulmschneider, M

2004-11-19

Pharmaceuticals are produced according to current pharmacopoeias, which require quality parameters. Tablets of identical formulation, produced by different factories should have the same properties before and after storage. In this article, we analyzed samples having two different origins before and after storage (30 degrees C, 75% relative moisture). The aim of the study is to propose two approaches to understand the differences between origins and the storage effect by near infrared spectroscopy. In the first part, the main wavelengths are identified in transmittance and reflectance near infrared spectra in order to identify the major differences between the samples. In this paper, this approach is called fingerprinting. In the second part, principal component analysis (PCA) is computed to confirm the fingerprinting interpretation. The two interpretations show the differences between batches: physical aspect and moisture content. The manufacturing process is responsible for the physical differences between batches. During the storage, changes are due to the increase of moisture content and the decrease of the active content.

Challenging Near InfraRed Spectroscopy discriminating ability for counterfeit pharmaceuticals detection

Energy Technology Data Exchange (ETDEWEB)

Storme-Paris, I. [Groupe de Chimie Analytique de Paris-Sud, EA 4041, IFR 141, School of Pharmacy, Univ Paris-Sud, 5 rue Jean Baptiste Clement, 92296 Chatenay-Malabry (France); Rebiere, H. [Laboratories and Control Department, French Health Products Safety Agency (AFSSAPS), 635 rue de la Garenne, 34740 Vendargues (France); Matoga, M. [Groupe de Chimie Analytique de Paris-Sud, EA 4041, IFR 141, School of Pharmacy, Univ Paris-Sud, 5 rue Jean Baptiste Clement, 92296 Chatenay-Malabry (France); Civade, C.; Bonnet, P.-A.; Tissier, M.H. [Laboratories and Control Department, French Health Products Safety Agency (AFSSAPS), 635 rue de la Garenne, 34740 Vendargues (France); Chaminade, P., E-mail: pierre.chaminade@u-psud.fr [Groupe de Chimie Analytique de Paris-Sud, EA 4041, IFR 141, School of Pharmacy, Univ Paris-Sud, 5 rue Jean Baptiste Clement, 92296 Chatenay-Malabry (France)

2010-01-25

This study was initiated by the laboratories and control department of the French Health Products Safety Agency (AFSSAPS) as part of the fight against the public health problem of rising counterfeit and imitation medicines. To test the discriminating ability of Near InfraRed Spectroscopy (NIRS), worse cases scenarios were first considered for the discrimination of various pharmaceutical final products containing the same Active Pharmaceutical Ingredient (API) with different excipients, such as generics of proprietary medicinal products (PMP). Two generic databases were explored: low active strength hard capsules of Fluoxetine and high strength tablets of Ciprofloxacin. Then 4 other cases involving suspicious samples, counterfeits and imitations products were treated. In all these cases, spectral differences between samples were studied, giving access to API or excipient contents information, and eventually allowing manufacturing site identification. A chemometric background is developed to explain the optimisation methodology, consisting in the choices of appropriate pretreatments, algorithms for data exploratory analyses (unsupervised Principal Component Analysis), and data classification (supervised cluster analysis, and Soft Independent Modelling of Class Analogy). Results demonstrate the high performance of NIRS, highlighting slight differences in formulations, such as 2.5% (w/w) in API strength, 1.0% (w/w) in excipient and even coating variations (<1%, w/w) with identical contents, approaching the theoretical limits of NIRS sensitivity. All the different generic formulations were correctly discriminated and foreign PMP, constituted of formulations slightly different from the calibration ones, were also all discriminated. This publication addresses the ability of NIRS to detect counterfeits and imitations and presents the NIRS as an ideal tool to master the global threat of counterfeit drugs.

Challenging Near InfraRed Spectroscopy discriminating ability for counterfeit pharmaceuticals detection

International Nuclear Information System (INIS)

Storme-Paris, I.; Rebiere, H.; Matoga, M.; Civade, C.; Bonnet, P.-A.; Tissier, M.H.; Chaminade, P.

2010-01-01

This study was initiated by the laboratories and control department of the French Health Products Safety Agency (AFSSAPS) as part of the fight against the public health problem of rising counterfeit and imitation medicines. To test the discriminating ability of Near InfraRed Spectroscopy (NIRS), worse cases scenarios were first considered for the discrimination of various pharmaceutical final products containing the same Active Pharmaceutical Ingredient (API) with different excipients, such as generics of proprietary medicinal products (PMP). Two generic databases were explored: low active strength hard capsules of Fluoxetine and high strength tablets of Ciprofloxacin. Then 4 other cases involving suspicious samples, counterfeits and imitations products were treated. In all these cases, spectral differences between samples were studied, giving access to API or excipient contents information, and eventually allowing manufacturing site identification. A chemometric background is developed to explain the optimisation methodology, consisting in the choices of appropriate pretreatments, algorithms for data exploratory analyses (unsupervised Principal Component Analysis), and data classification (supervised cluster analysis, and Soft Independent Modelling of Class Analogy). Results demonstrate the high performance of NIRS, highlighting slight differences in formulations, such as 2.5% (w/w) in API strength, 1.0% (w/w) in excipient and even coating variations (<1%, w/w) with identical contents, approaching the theoretical limits of NIRS sensitivity. All the different generic formulations were correctly discriminated and foreign PMP, constituted of formulations slightly different from the calibration ones, were also all discriminated. This publication addresses the ability of NIRS to detect counterfeits and imitations and presents the NIRS as an ideal tool to master the global threat of counterfeit drugs.

Cerebral hemodynamics measured with simultaneous PET and near-infrared spectroscopy in humans

DEFF Research Database (Denmark)

Rostrup, Egill; Law, Ian; Pott, Frank

2002-01-01

Near-infrared spectroscopy (NIRS) enables continuous non-invasive quantification of blood and tissue oxygenation, and may be useful for quantification of cerebral blood volume (CBV) changes. In this study, changes in cerebral oxy- and deoxyhemoglobin were compared to corresponding changes in CBF ...

Rapid differentiation of Listeria monocytogenes epidemic clones III and IV and their intact compared with heat-killed populations using Fourier transform infrared spectroscopy and chemometrics.

Science.gov (United States)

Nyarko, Esmond B; Puzey, Kenneth A; Donnelly, Catherine W

2014-06-01

The objectives of this study were to determine if Fourier transform infrared (FT-IR) spectroscopy and multivariate statistical analysis (chemometrics) could be used to rapidly differentiate epidemic clones (ECs) of Listeria monocytogenes, as well as their intact compared with heat-killed populations. FT-IR spectra were collected from dried thin smears on infrared slides prepared from aliquots of 10 μL of each L. monocytogenes ECs (ECIII: J1-101 and R2-499; ECIV: J1-129 and J1-220), and also from intact and heat-killed cell populations of each EC strain using 250 scans at a resolution of 4 cm(-1) in the mid-infrared region in a reflectance mode. Chemometric analysis of spectra involved the application of the multivariate discriminant method for canonical variate analysis (CVA) and linear discriminant analysis (LDA). CVA of the spectra in the wavelength region 4000 to 600 cm(-1) separated the EC strains while LDA resulted in a 100% accurate classification of all spectra in the data set. Further, CVA separated intact and heat-killed cells of each EC strain and there was 100% accuracy in the classification of all spectra when LDA was applied. FT-IR spectral wavenumbers 1650 to 1390 cm(-1) were used to separate heat-killed and intact populations of L. monocytogenes. The FT-IR spectroscopy method allowed discrimination between strains that belong to the same EC. FT-IR is a highly discriminatory and reproducible method that can be used for the rapid subtyping of L. monocytogenes, as well as for the detection of live compared with dead populations of the organism. Fourier transform infrared (FT-IR) spectroscopy and multivariate statistical analysis can be used for L. monocytogenes source tracking and for clinical case isolate comparison during epidemiological investigations since the method is capable of differentiating epidemic clones and it uses a library of well-characterized strains. The FT-IR method is potentially less expensive and more rapid compared to genetic

Application of near-infrared spectroscopy for monitoring and control of cell culture and fermentation.

Science.gov (United States)

Cervera, Albert E; Petersen, Nanna; Lantz, Anna Eliasson; Larsen, Anders; Gernaey, Krist V

2009-01-01

Near-infrared (NIR) spectroscopy can potentially provide on-line information on substrate, biomass, product, and metabolite concentrations in fermentation processes, which could be useful for improved monitoring or control. However, several factors can negatively influence the quality of chemometric models built for interpretation of the spectra, thus impairing the analyte concentration predictions. The aim of this review was to provide an overview of necessary conditions and challenges that one has to face when developing a NIR application for monitoring of cell culture or fermentation processes. Important practical aspects are introduced, such as sampling, modeling of biomass concentration, influence of microorganism morphology on the spectra, effects of the hydrodynamic conditions in the fermenter, temperature influence, instrument settings, and signal optimization. Several examples from the literature are provided, which will hopefully guide the reader interested in the topic. Furthermore, the general procedure used for the development of calibration models is presented, and the influence of microorganism metabolism-potential source of correlation between analytes-is commented. Other important issues such as wavelength selection and evaluation of robustness are shortly introduced. Finally, some examples of potential applications of NIR monitoring are provided, including the implementation of control strategies, the combination with other monitoring tools (the so-called sensor fusion), and the description of process trajectories. On the basis of the review, we conclude that acceptance of NIR spectroscopy as a standard monitoring tool by the fermentation industry will necessitate considerably more on-line studies using industrially relevant-and highly challenging-fermentation conditions (high aeration intensity, high biomass concentration and viscosity, and filamentous production strain). (c) 2009 American Institute of Chemical Engineers Biotechnol. Prog., 2009.

Chemometrics in spectroscopy. Part 1. Classical chemometrics

International Nuclear Information System (INIS)

Geladi, Paul

2003-01-01

An overview is given of chemometrics as it can be applied to spectroscopic and other multivariate data. Major chemometrics and data analysis techniques are described. An important aspect is the focus on soft modeling for situations that are too complicated for the traditional hard models to work. Also measurement noise is given due attention. A small example is used to illustrate some ways of working, mainly by using graphics. Selected literature references are given. Part 1 deals with classical chemometrics. Part 2 presents some newer developments and includes some more elaborated examples

Screening suspected counterfeit Viagra and imitations of Viagra with near-infrared spectroscopy.

NARCIS (Netherlands)

Vredenbregt, M J; Blok-Tip, L; Hoogerbrugge, Ronald; Barends, D M; Kaste, D de

2006-01-01

We describe a near-infrared spectroscopy (NIRS) method for fast-screening Viagra tablets, counterfeit Viagra tablets, and imitations of Viagra. The method can (1) check the homogeneity of a batch; (2) distinguish counterfeits and imitations from authentic Viagra; (3) screen for the presence of

Use of Near-Infrared Spectroscopy and Chemometrics for the Nondestructive Identification of Concealed Damage in Raw Almonds (Prunus dulcis).

Science.gov (United States)

Rogel-Castillo, Cristian; Boulton, Roger; Opastpongkarn, Arunwong; Huang, Guangwei; Mitchell, Alyson E

2016-07-27

Concealed damage (CD) is defined as a brown discoloration of the kernel interior (nutmeat) that appears only after moderate to high heat treatment (e.g., blanching, drying, roasting, etc.). Raw almonds with CD have no visible defects before heat treatment. Currently, there are no screening methods available for detecting CD in raw almonds. Herein, the feasibility of using near-infrared (NIR) spectroscopy between 1125 and 2153 nm for the detection of CD in almonds is demonstrated. Almond kernels with CD have less NIR absorbance in the region related with oil, protein, and carbohydrates. With the use of partial least squares discriminant analysis (PLS-DA) and selection of specific wavelengths, three classification models were developed. The calibration models have false-positive and false-negative error rates ranging between 12.4 and 16.1% and between 10.6 and 17.2%, respectively. The percent error rates ranged between 8.2 and 9.2%. Second-derivative preprocessing of the selected wavelength resulted in the most robust predictive model.

Near-infrared spectroscopy and microstructure of the scales of Sabethes ( Sabethes albiprivus (Diptera: Culicidae

Directory of Open Access Journals (Sweden)

Betina Westphal-Ferreira

Full Text Available ABSTRACT Near-infrared spectroscopy and microstructure of the scales of Sabethes (Sabethes albiprivus (Diptera: Culicidae. Sabethes (Sabethes albiprivus Theobald individuals vary considerably in size and color of the reflections of the scales on their thorax, abdomen, antepronotal lobes and occiput. The goal of this study was to investigate and to characterize the differences in the color of the scales among preserved specimens and to analyze the differences in the microstructures of the scales that cover their bodies using near-infrared spectroscopy, and to evaluate whether the latter is efficient in distinguishing the populations. A total of 201 adult females were analyzed for the characterization of color patterns. In addition, absorbance spectra and scanning electron microscope images were obtained from them. As a result of color analysis, two variations were identified, one represented by specimens with yellow or green scales and the other with blue or purple scales. The same two variations were corroborated using NIRS. Analysis of the microstructure of the scales lining the mesonotum, occiput and antepronotal lobes resulted in the same variations. The three methodologies, near-infrared spectroscopy, scanning electron microscopy and coloration of the reflections of the scales revealed two variations within Sa. albiprivus.

Multivariate Calibration Models for Sorghum Composition using Near-Infrared Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Wolfrum, E.; Payne, C.; Stefaniak, T.; Rooney, W.; Dighe, N.; Bean, B.; Dahlberg, J.

2013-03-01

NREL developed calibration models based on near-infrared (NIR) spectroscopy coupled with multivariate statistics to predict compositional properties relevant to cellulosic biofuels production for a variety of sorghum cultivars. A robust calibration population was developed in an iterative fashion. The quality of models developed using the same sample geometry on two different types of NIR spectrometers and two different sample geometries on the same spectrometer did not vary greatly.

Comparing predictive ability of laser-induced breakdown spectroscopy to visible near-infrared spectroscopy for soil property determination

DEFF Research Database (Denmark)

Knadel, Maria; Gislum, René; Hermansen, Cecilie

2017-01-01

Soil organic carbon (SOC) and particle size fractions have a practical value for agronomy and the environment. Thus, alternative techniques to replace the expensive conventional analyses of soil are needed. Visible near-infrared reflectance spectroscopy (viseNIRS) has already shown potential...

Investigation of vegetation history of buried chernozem soils using near-infrared spectroscopy (NIRS)

Czech Academy of Sciences Publication Activity Database

Vysloužilová, B.; Ertlen, D.; Šefrna, L.; Novák, T.; Virágh, K.; Rué, M.; Campaner, A.; Dreslerová, Dagmar; Schwartz, D.

2015-01-01

Roč. 365, 16 April (2015), s. 203-211 ISSN 1040-6182 Institutional support: RVO:67985912 Keywords : Holocene * paleopedology * paleoecology * near-infrared spectroscopy * chernozem * buried paleosol Subject RIV: DF - Soil Science Impact factor: 2.067, year: 2015

A comprehensive quality evaluation method by FT-NIR spectroscopy and chemometric: Fine classification and untargeted authentication against multiple frauds for Chinese Ganoderma lucidum

Science.gov (United States)

Fu, Haiyan; Yin, Qiaobo; Xu, Lu; Wang, Weizheng; Chen, Feng; Yang, Tianming

2017-07-01

The origins and authenticity against frauds are two essential aspects of food quality. In this work, a comprehensive quality evaluation method by FT-NIR spectroscopy and chemometrics were suggested to address the geographical origins and authentication of Chinese Ganoderma lucidum (GL). Classification for 25 groups of GL samples (7 common species from 15 producing areas) was performed using near-infrared spectroscopy and interval-combination One-Versus-One least squares support vector machine (IC-OVO-LS-SVM). Untargeted analysis of 4 adulterants of cheaper mushrooms was performed by one-class partial least squares (OCPLS) modeling for each of the 7 GL species. After outlier diagnosis and comparing the influences of different preprocessing methods and spectral intervals on classification, IC-OVO-LS-SVM with standard normal variate (SNV) spectra obtained a total classification accuracy of 0.9317, an average sensitivity and specificity of 0.9306 and 0.9971, respectively. With SNV or second-order derivative (D2) spectra, OCPLS could detect at least 2% or more doping levels of adulterants for 5 of the 7 GL species and 5% or more doping levels for the other 2 GL species. This study demonstrates the feasibility of using new chemometrics and NIR spectroscopy for fine classification of GL geographical origins and species as well as for untargeted analysis of multiple adulterants.

Fourier transform infrared spectroscopy combined with chemometrics for discrimination of Curcuma longa, Curcuma xanthorrhiza and Zingiber cassumunar

Science.gov (United States)

Rohaeti, Eti; Rafi, Mohamad; Syafitri, Utami Dyah; Heryanto, Rudi

2015-02-01

Turmeric (Curcuma longa), java turmeric (Curcuma xanthorrhiza) and cassumunar ginger (Zingiber cassumunar) are widely used in traditional Indonesian medicines (jamu). They have similar color for their rhizome and possess some similar uses, so it is possible to substitute one for the other. The identification and discrimination of these closely-related plants is a crucial task to ensure the quality of the raw materials. Therefore, an analytical method which is rapid, simple and accurate for discriminating these species using Fourier transform infrared spectroscopy (FTIR) combined with some chemometrics methods was developed. FTIR spectra were acquired in the mid-IR region (4000-400 cm-1). Standard normal variate, first and second order derivative spectra were compared for the spectral data. Principal component analysis (PCA) and canonical variate analysis (CVA) were used for the classification of the three species. Samples could be discriminated by visual analysis of the FTIR spectra by using their marker bands. Discrimination of the three species was also possible through the combination of the pre-processed FTIR spectra with PCA and CVA, in which CVA gave clearer discrimination. Subsequently, the developed method could be used for the identification and discrimination of the three closely-related plant species.

Gastric cancer differentiation using Fourier transform near-infrared spectroscopy with unsupervised pattern recognition

Science.gov (United States)

Yi, Wei-song; Cui, Dian-sheng; Li, Zhi; Wu, Lan-lan; Shen, Ai-guo; Hu, Ji-ming

2013-01-01

The manuscript has investigated the application of near-infrared (NIR) spectroscopy for differentiation gastric cancer. The 90 spectra from cancerous and normal tissues were collected from a total of 30 surgical specimens using Fourier transform near-infrared spectroscopy (FT-NIR) equipped with a fiber-optic probe. Major spectral differences were observed in the CH-stretching second overtone (9000-7000 cm-1), CH-stretching first overtone (6000-5200 cm-1), and CH-stretching combination (4500-4000 cm-1) regions. By use of unsupervised pattern recognition, such as principal component analysis (PCA) and cluster analysis (CA), all spectra were classified into cancerous and normal tissue groups with accuracy up to 81.1%. The sensitivity and specificity was 100% and 68.2%, respectively. These present results indicate that CH-stretching first, combination band and second overtone regions can serve as diagnostic markers for gastric cancer.

Nondestructive detection of zebra chip disease in potatoes using near-infrared spectroscopy

Science.gov (United States)

Near-Infrared (NIR) spectroscopy in the wavelength region from 900 nm to 2600 nm was evaluated as the basis for a rapid, non-destructive method for the detection of Zebra Chip disease in potatoes and the measurement of sugar concentrations in affected tubers. Using stepwise regression in conjunction...

Detection of Genetically Modified Sugarcane by Using Terahertz Spectroscopy and Chemometrics

Science.gov (United States)

Liu, J.; Xie, H.; Zha, B.; Ding, W.; Luo, J.; Hu, C.

2018-03-01

A methodology is proposed to identify genetically modified sugarcane from non-genetically modified sugarcane by using terahertz spectroscopy and chemometrics techniques, including linear discriminant analysis (LDA), support vector machine-discriminant analysis (SVM-DA), and partial least squares-discriminant analysis (PLS-DA). The classification rate of the above mentioned methods is compared, and different types of preprocessing are considered. According to the experimental results, the best option is PLS-DA, with an identification rate of 98%. The results indicated that THz spectroscopy and chemometrics techniques are a powerful tool to identify genetically modified and non-genetically modified sugarcane.

Fiber-Content Measurement of Wool-Cashmere Blends Using Near-Infrared Spectroscopy.

Science.gov (United States)

Zhou, Jinfeng; Wang, Rongwu; Wu, Xiongying; Xu, Bugao

2017-10-01

Cashmere and wool are two protein fibers with analogous geometrical attributes, but distinct physical properties. Due to its scarcity and unique features, cashmere is a much more expensive fiber than wool. In the textile production, cashmere is often intentionally blended with fine wool in order to reduce the material cost. To identify the fiber contents of a wool-cashmere blend is important to quality control and product classification. The goal of this study is to develop a reliable method for estimating fiber contents in wool-cashmere blends based on near-infrared (NIR) spectroscopy. In this study, we prepared two sets of cashmere-wool blends by using either whole fibers or fiber snippets in 11 different blend ratios of the two fibers and collected the NIR spectra of all the 22 samples. Of the 11 samples in each set, six were used as a subset for calibration and five as a subset for validation. By referencing the NIR band assignment to chemical bonds in protein, we identified six characteristic wavelength bands where the NIR absorbance powers of the two fibers were significantly different. We then performed the chemometric analysis with two multilinear regression (MLR) equations to predict the cashmere content (CC) in a blended sample. The experiment with these samples demonstrated that the predicted CCs from the MLR models were consistent with the CCs given in the preparations of the two sample sets (whole fiber or snippet), and the errors of the predicted CCs could be limited to 0.5% if the testing was performed over at least 25 locations. The MLR models seem to be reliable and accurate enough for estimating the cashmere content in a wool-cashmere blend and have potential to be used for tackling the cashmere adulteration problem.

Food Safety Evaluation Based on Near Infrared Spectroscopy and Imaging: A Review.

Science.gov (United States)

Fu, Xiaping; Ying, Yibin

2016-08-17

In recent years, due to the increasing consciousness of food safety and human health, much progress has been made in developing rapid and nondestructive techniques for the evaluation of food hazards, food authentication, and traceability. Near infrared (NIR) spectroscopy and imaging techniques have gained wide acceptance in many fields because of their advantages over other analytical techniques. Following a brief introduction of NIR spectroscopy and imaging basics, this review mainly focuses on recent NIR spectroscopy and imaging applications for food safety evaluation, including (1) chemical hazards detection; (2) microbiological hazards detection; (3) physical hazards detection; (4) new technology-induced food safety concerns; and (5) food traceability. The review shows NIR spectroscopy and imaging to be effective tools that will play indispensable roles for food safety evaluation. In addition, on-line/real-time applications of these techniques promise to be a huge growth field in the near future.

NEAR-INFRARED SPECTROSCOPY OF POST-AGB STARS

NARCIS (Netherlands)

OUDMAIJER, RD; WATERS, LBFM; VANDERVEEN, WECJ; GEBALLE, TR

The results of a medium resolution near-infrared spectral survey of 18 post-AGB candidate stars are presented. Most of the stars have near-infrared hydrogen lines in absorption, which is normal for their spectral types. Three stars, HD 101584, HD 179821 and HD 170756 have the CO first overtone bands

Near-infrared Spectroscopy in the Brewing Industry.

Science.gov (United States)

Sileoni, Valeria; Marconi, Ombretta; Perretti, Giuseppe

2015-01-01

This article offers an exhaustive description of the use of Near-Infrared (NIR) Spectroscopy in the brewing industry. This technique is widely used for quality control testing of raw materials, intermediates, and finished products, as well as process monitoring during malting and brewing. In particular, most of the reviewed works focus on the assessment of barley properties, aimed at quickly selecting the best barley varieties in order to produce a high-quality malt leading to high-quality beer. Various works concerning the use of NIR in the evaluation of raw materials, such as barley, malt, hop, and yeast, are also summarized here. The implementation of NIR sensors for the control of malting and brewing processes is also highlighted, as well as the use of NIR for quality assessment of the final product.

Near-infrared spectroscopy for monitoring muscle oxygenation

DEFF Research Database (Denmark)

Boushel, Robert Christopher; Piantadosi, C A

2000-01-01

Near-infrared spectroscopy (NIRS) is a non-invasive method for monitoring oxygen availability and utilization by the tissues. In intact skeletal muscle, NIRS allows semi-quantitative measurements of haemoglobin plus myoglobin oxygenation (tissue O2 stores) and the haemoglobin volume. Specialized...... algorithms allow assessment of the oxidation-reduction (redox) state of the copper moiety (CuA) of mitochondrial cytochrome c oxidase and, with the use of specific tracers, accurate assessment of regional blood flow. NIRS has demonstrated utility for monitoring changes in muscle oxygenation and blood flow...... during submaximal and maximal exercise and under pathophysiological conditions including cardiovascular disease and sepsis. During work, the extent to which skeletal muscles deoxygenate varies according to the type of muscle, type of exercise and blood flow response. In some instances, a strong...

Orthostatic leg blood volume changes assessed by near-infrared spectroscopy

DEFF Research Database (Denmark)

Truijen, J; Kim, Y S; Krediet, C T P

2012-01-01

posture, volume accumulation in small blood vessels contributes significantly to the total fluid volume accumulated in the legs. Considering that near-infrared spectroscopy (NIRS) tracks postural blood volume changes within the small blood vessels of the lower leg, we evaluated the NIRS-determined changes......-linear accumulation of blood volume in the small vessels of the leg, with an initial fast phase followed by a more gradual increase at least partly contributing to the relocation of fluid during orthostatic stress....

[Research progress and application prospect of near infrared spectroscopy in soil nutrition analysis].

Science.gov (United States)

Ding, Hai-quan; Lu, Qi-peng

2012-01-01

"Digital agriculture" or "precision agriculture" is an important direction of modern agriculture technique. It is the combination of the modern information technique and traditional agriculture and becomes a hotspot field in international agriculture research in recent years. As a nondestructive, real-time, effective and exact analysis technique, near infrared spectroscopy, by which precision agriculture could be carried out, has vast prospect in agrology and gradually gained the recognition. The present paper intends to review the basic theory of near infrared spectroscopy and its applications in the field of agrology, pointing out that the direction of NIR in agrology should based on portable NIR spectrograph in order to acquire qualitative or quantitative information from real-time measuring in field. In addition, NIRS could be combined with space remote sensing to macroscopically control the way crop is growing and the nutrition crops need, to change the current state of our country's agriculture radically.

Application of miniaturized near-infrared spectroscopy for quality control of extemporaneous orodispersible films.

Science.gov (United States)

Foo, Wen Chin; Widjaja, Effendi; Khong, Yuet Mei; Gokhale, Rajeev; Chan, Sui Yung

2018-02-20

Extemporaneous oral preparations are routinely compounded in the pharmacy due to a lack of suitable formulations for special populations. Such small-scale pharmacy preparations also present an avenue for individualized pharmacotherapy. Orodispersible films (ODF) have increasingly been evaluated as a suitable dosage form for extemporaneous oral preparations. Nevertheless, as with all other extemporaneous preparations, safety and quality remain a concern. Although the United States Pharmacopeia (USP) recommends analytical testing of compounded preparations for quality assurance, pharmaceutical assays are typically not routinely performed for such non-sterile pharmacy preparations, due to the complexity and high cost of conventional assay methods such as high performance liquid chromatography (HPLC). Spectroscopic methods including Raman, infrared and near-infrared spectroscopy have been successfully applied as quality control tools in the industry. The state-of-art benchtop spectrometers used in those studies have the advantage of superior resolution and performance, but are not suitable for use in a small-scale pharmacy setting. In this study, we investigated the application of a miniaturized near infrared (NIR) spectrometer as a quality control tool for identification and quantification of drug content in extemporaneous ODFs. Miniaturized near infrared (NIR) spectroscopy is suitable for small-scale pharmacy applications in view of its small size, portability, simple user interface, rapid measurement and real-time prediction results. Nevertheless, the challenge with miniaturized NIR spectroscopy is its lower resolution compared to state-of-art benchtop equipment. We have successfully developed NIR spectroscopy calibration models for identification of ODFs containing five different drugs, and quantification of drug content in ODFs containing 2-10mg ondansetron (OND). The qualitative model for drug identification produced 100% prediction accuracy. The quantitative

Chemometrics in spectroscopy

International Nuclear Information System (INIS)

Geladi, Paul; Sethson, Britta; Nystroem, Josefina; Lillhonga, Tom; Lestander, Torbjoern; Burger, Jim

2004-01-01

Some of the principles and main methods of chemometrics are illustrated by examples. The examples are from electrochemistry, process analytical chemistry and multivariate imaging. Principal component analysis, partial least squares regression and multivariate image analysis are used to illustrate the power of chemometrical thinking. The emphasis is on plotting and visualization for showing the salient features of a model or data set

Advances in near-infrared spectroscopy to study the brain of the preterm and term neonate

DEFF Research Database (Denmark)

Wolf, Martin; Greisen, Gorm

2009-01-01

This article reviews tissue oximetry and imaging to study the preterm and newborn infant brain by near-infrared spectroscopy. These two technologies are now advanced; nearly 100 reports on their use in newborn infants have been published, and commercial instruments are available. The precision...

A review on the applications of portable near-infrared spectrometers in the agro-food industry.

Science.gov (United States)

dos Santos, Cláudia A Teixeira; Lopo, Miguel; Páscoa, Ricardo N M J; Lopes, João A

2013-11-01

Industry has created the need for a cost-effective and nondestructive quality-control analysis system. This requirement has increased interest in near-infrared (NIR) spectroscopy, leading to the development and marketing of handheld devices that enable new applications that can be implemented in situ. Portable NIR spectrometers are powerful instruments offering several advantages for nondestructive, online, or in situ analysis: small size, low cost, robustness, simplicity of analysis, sample user interface, portability, and ergonomic design. Several studies of on-site NIR applications are presented: characterization of internal and external parameters of fruits and vegetables; conservation state and fat content of meat and fish; distinguishing among and quality evaluation of beverages and dairy products; protein content of cereals; evaluation of grape ripeness in vineyards; and soil analysis. Chemometrics is an essential part of NIR spectroscopy manipulation because wavelength-dependent scattering effects, instrumental noise, ambient effects, and other sources of variability may complicate the spectra. As a consequence, it is difficult to assign specific absorption bands to specific functional groups. To achieve useful and meaningful results, multivariate statistical techniques (essentially involving regression techniques coupled with spectral preprocessing) are therefore required to extract the information hidden in the spectra. This work reviews the evolution of the use of portable near-infrared spectrometers in the agro-food industry.

Quantitative near-infrared spectroscopy on patients with peripheral vascular disease

OpenAIRE

Franceschini, MA; Fantini, S; Palumbo, R; Pasqualini, L; Vaudo, G; Franceschini, E; Gratton, E; Palumbo, B; Innocente, S; Mannarino, E

1997-01-01

We have used near-infrared spectroscopy to measure the hemoglobin saturation at rest and during exercise on patients affected by peripheral vascular disease (PVD). The instrument used in our study is a frequency-domain tissue oximeter which employs intensity modulated (110 MHz) laser diodes. We examined 9 subjects, 3 of which were controls and 6 were patients affected by stage II PVD. The optical probe was located on the calf muscle of the subjects. The measurement protocol consisted of: (1) ...

Functional near-infrared spectroscopy studies in children

Directory of Open Access Journals (Sweden)

Nagamitsu Shinichiro

2012-03-01

Full Text Available Abstract Psychosomatic and developmental behavioral medicine in pediatrics has been the subject of significant recent attention, with infants, school-age children, and adolescents frequently presenting with psychosomatic, behavioral, and psychiatric symptoms. These may be a consequence of insecurity of attachment, reduced self-confidence, and peer -relationship conflicts during their developmental stages. Developmental cognitive neuroscience has revealed significant associations between specific brain lesions and particular cognitive dysfunctions. Thus, identifying the biological deficits underlying such cognitive dysfunction may provide new insights into therapeutic prospects for the management of those symptoms in children. Recent advances in noninvasive neuroimaging techniques, and especially functional near-infrared spectroscopy (NIRS, have contributed significant findings to the field of developmental cognitive neuroscience in pediatrics. We present here a comprehensive review of functional NIRS studies of children who have developed normally and of children with psychosomatic and behavioral disorders.

Dataset of Fourier transform-infrared coupled with chemometric analysis used to distinguish accessions of Garcinia mangostana L. in Peninsular Malaysia

OpenAIRE

Samsir, Sri A’jilah; Bunawan, Hamidun; Yen, Choong Chee; Noor, Normah Mohd

2016-01-01

In this dataset, we distinguish 15 accessions of Garcinia mangostana from Peninsular Malaysia using Fourier transform-infrared spectroscopy coupled with chemometric analysis. We found that the position and intensity of characteristic peaks at 3600–3100 cm−1 in IR spectra allowed discrimination of G. mangostana from different locations. Further principal component analysis (PCA) of all the accessions suggests the two main clusters were formed: samples from Johor, Melaka, and Negeri Sembilan (S...

Voxel-based measurement sensitivity of spatially resolved near-infrared spectroscopy in layered tissues.

Science.gov (United States)

Niwayama, Masatsugu

2018-03-01

We quantitatively investigated the measurement sensitivity of spatially resolved spectroscopy (SRS) across six tissue models: cerebral tissue, a small animal brain, the forehead of a fetus, an adult brain, forearm muscle, and thigh muscle. The optical path length in the voxel of the model was analyzed using Monte Carlo simulations. It was found that the measurement sensitivity can be represented as the product of the change in the absorption coefficient and the difference in optical path length in two states with different source-detector distances. The results clarified the sensitivity ratio between the surface layer and the deep layer at each source-detector distance for each model and identified changes in the deep measurement area when one of the detectors was close to the light source. A comparison was made with the results from continuous-wave spectroscopy. The study also identified measurement challenges that arise when the surface layer is inhomogeneous. Findings on the measurement sensitivity of SRS at each voxel and in each layer can support the correct interpretation of measured values when near-infrared oximetry or functional near-infrared spectroscopy is used to investigate different tissue structures. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

At-line monitoring of key parameters of nisin fermentation by near infrared spectroscopy, chemometric modeling and model improvement.

Science.gov (United States)

Guo, Wei-Liang; Du, Yi-Ping; Zhou, Yong-Can; Yang, Shuang; Lu, Jia-Hui; Zhao, Hong-Yu; Wang, Yao; Teng, Li-Rong

2012-03-01

An analytical procedure has been developed for at-line (fast off-line) monitoring of 4 key parameters including nisin titer (NT), the concentration of reducing sugars, cell concentration and pH during a nisin fermentation process. This procedure is based on near infrared (NIR) spectroscopy and Partial Least Squares (PLS). Samples without any preprocessing were collected at intervals of 1 h during fifteen batch of fermentations. These fermentation processes were implemented in 3 different 5 l fermentors at various conditions. NIR spectra of the samples were collected in 10 min. And then, PLS was used for modeling the relationship between NIR spectra and the key parameters which were determined by reference methods. Monte Carlo Partial Least Squares (MCPLS) was applied to identify the outliers and select the most efficacious methods for preprocessing spectra, wavelengths and the suitable number of latent variables (n (LV)). Then, the optimum models for determining NT, concentration of reducing sugars, cell concentration and pH were established. The correlation coefficients of calibration set (R (c)) were 0.8255, 0.9000, 0.9883 and 0.9581, respectively. These results demonstrated that this method can be successfully applied to at-line monitor of NT, concentration of reducing sugars, cell concentration and pH during nisin fermentation processes.

Fourier transform infrared spectroscopy combined with chemometrics for discrimination of Curcuma longa, Curcuma xanthorrhiza and Zingiber cassumunar.

Science.gov (United States)

Rohaeti, Eti; Rafi, Mohamad; Syafitri, Utami Dyah; Heryanto, Rudi

2015-02-25

Turmeric (Curcuma longa), java turmeric (Curcuma xanthorrhiza) and cassumunar ginger (Zingiber cassumunar) are widely used in traditional Indonesian medicines (jamu). They have similar color for their rhizome and possess some similar uses, so it is possible to substitute one for the other. The identification and discrimination of these closely-related plants is a crucial task to ensure the quality of the raw materials. Therefore, an analytical method which is rapid, simple and accurate for discriminating these species using Fourier transform infrared spectroscopy (FTIR) combined with some chemometrics methods was developed. FTIR spectra were acquired in the mid-IR region (4000-400 cm(-1)). Standard normal variate, first and second order derivative spectra were compared for the spectral data. Principal component analysis (PCA) and canonical variate analysis (CVA) were used for the classification of the three species. Samples could be discriminated by visual analysis of the FTIR spectra by using their marker bands. Discrimination of the three species was also possible through the combination of the pre-processed FTIR spectra with PCA and CVA, in which CVA gave clearer discrimination. Subsequently, the developed method could be used for the identification and discrimination of the three closely-related plant species. Copyright © 2014 Elsevier B.V. All rights reserved.

Exploring process dynamics by near infrared spectroscopy in lactic fermentations

DEFF Research Database (Denmark)

Svendsen, Carina; Cieplak, Tomasz; van der Berg, Franciscus Winfried J

2016-01-01

In the industrial production of yoghurt, measurement of pH is normally the only in-line technique applied as a real-time monitoring signalfor following the dynamics during the fermentation process. However, every dairy company would benefit from an in-line technique giving information about...... the chemical composition, physical/textural properties and/or microbial contamination. In this study lactic fermentation batches with the starter bacteria Streptococcus thermophilus and Lactobacillus delbrueckii subsp. bulgaricus are explored by in-line near infrared (NIR) spectroscopy. The dynamics obtained...

Cerebral near infrared spectroscopy oximetry in extremely preterm infants : Phase II randomised clinical trial

NARCIS (Netherlands)

Hyttel-Sorensen, Simon; Pellicer, Adelina; Alderliesten, Thomas; Austin, Topun; Van Bel, Frank; Benders, Manon; Claris, Olivier; Dempsey, Eugene; Franz, Axel R.; Fumagalli, Monica; Gluud, Christian; Grevstad, Berit; Hagmann, Cornelia; Lemmers, Petra; Van Oeveren, Wim; Pichler, Gerhard; Plomgaard, Anne Mette; Riera, Joan; Sanchez, Laura; Winkel, Per; Wolf, Martin; Greisen, Gorm

2015-01-01

Objective: To determine if it is possible to stabilise the cerebral oxygenation of extremely preterm infants monitored by cerebral near infrared spectroscopy (NIRS) oximetry. Design: Phase II randomised, single blinded, parallel clinical trial. Setting Eight tertiary neonatal intensive care units in

Fluorescence Spectroscopy and Chemometric Modeling for Bioprocess Monitoring

Directory of Open Access Journals (Sweden)

Saskia M. Faassen

2015-04-01

Full Text Available On-line sensors for the detection of crucial process parameters are desirable for the monitoring, control and automation of processes in the biotechnology, food and pharma industry. Fluorescence spectroscopy as a highly developed and non-invasive technique that enables the on-line measurements of substrate and product concentrations or the identification of characteristic process states. During a cultivation process significant changes occur in the fluorescence spectra. By means of chemometric modeling, prediction models can be calculated and applied for process supervision and control to provide increased quality and the productivity of bioprocesses. A range of applications for different microorganisms and analytes has been proposed during the last years. This contribution provides an overview of different analysis methods for the measured fluorescence spectra and the model-building chemometric methods used for various microbial cultivations. Most of these processes are observed using the BioView® Sensor, thanks to its robustness and insensitivity to adverse process conditions. Beyond that, the PLS-method is the most frequently used chemometric method for the calculation of process models and prediction of process variables.

Fluorescence Spectroscopy and Chemometric Modeling for Bioprocess Monitoring

Science.gov (United States)

Faassen, Saskia M.; Hitzmann, Bernd

2015-01-01

On-line sensors for the detection of crucial process parameters are desirable for the monitoring, control and automation of processes in the biotechnology, food and pharma industry. Fluorescence spectroscopy as a highly developed and non-invasive technique that enables the on-line measurements of substrate and product concentrations or the identification of characteristic process states. During a cultivation process significant changes occur in the fluorescence spectra. By means of chemometric modeling, prediction models can be calculated and applied for process supervision and control to provide increased quality and the productivity of bioprocesses. A range of applications for different microorganisms and analytes has been proposed during the last years. This contribution provides an overview of different analysis methods for the measured fluorescence spectra and the model-building chemometric methods used for various microbial cultivations. Most of these processes are observed using the BioView® Sensor, thanks to its robustness and insensitivity to adverse process conditions. Beyond that, the PLS-method is the most frequently used chemometric method for the calculation of process models and prediction of process variables. PMID:25942644

Quantification of simvastatin in mice plasma by near-infrared and chemometric analysis of spectral data

Directory of Open Access Journals (Sweden)

Fahmy UA

2016-08-01

Full Text Available Usama A Fahmy Department of Pharmaceutics & Industrial Pharmacy, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia Abstract: Time and cost saving is an essential requirement in pharmacokinetics and bioequivalence studies. The aim of this study is to use a simple, fast, and nondestructive near-infrared transmission spectroscopic method to quantify simvastatin (SMV concentrations in mice plasma and also to improve SMV bioavailability by using alpha-lipoic acid as a carrier. Calibration curve was built at a concentration range of 10–250 ng/mL, and HPLC method was considered as a reference method. A partial least squares regression analysis model was used for method development, which gave less root mean square error cross-validation. Comparison of SMV concentrations obtained from both instruments showed no statistically significant differences between all the data. Near-infrared spectroscopy was utilized as a rapid, simple accurate method to quantify drug–plasma concentrations without need for any extraction protocols, and the significant effect of alpha-lipoic acid as a novel carrier to enhance SMV bioavailability is also addressed. Keywords: alpha lipoic acid, bioavailability, non invasive, FTIR, pharmacokinetics

Real time near-infrared Raman spectroscopy for the diagnosis of nasopharyngeal cancer.

Science.gov (United States)

Ming, Lim Chwee; Gangodu, Nagaraja Rao; Loh, Thomas; Zheng, Wei; Wang, Jianfeng; Lin, Kan; Zhiwei, Huang

2017-07-25

Near-infrared (NIR) Raman spectroscopy has been investigated as a tool to differentiate nasopharyngeal cancer (NPC) from normal nasopharyngeal tissue in an ex-vivo setting. Recently, we have miniaturized the fiber-optic Raman probe to investigate its utility in real time in-vivo surveillance of NPC patients. A posterior probability model using partial linear square (PLS) mathematical technique was constructed to verify the sensitivity and specificity of Raman spectroscopy in diagnosing NPC from post-irradiated and normal tissue using a diagnostic algorithm from three significant latent variables. NIR-Raman signals of 135 sites were measured from 79 patients with either newly diagnosed NPC (N = 12), post irradiated nasopharynx (N = 37) and normal nasopharynx (N = 30). The mean Raman spectra peaks identified differences at several Raman peaks at 853 cm-1, 940 cm-1, 1078 cm-1, 1335 cm-1, 1554 cm-1, 2885 cm-1 and 2940 cm-1 in the three different nasopharyngeal conditions. The sensitivity and specificity of distinguishing Raman signatures among normal nasopharynx versus NPC and post-irradiated nasopharynx versus NPC were 91% and 95%; and 77% and 96% respectively. Real time near-infrared Raman spectroscopy has a high specificity in distinguishing malignant from normal nasopharyngeal tissue in vivo, and may be investigated as a novel non-invasive surveillance tool in patients with nasopharyngeal cancer.

Near infrared spectroscopy of human muscles

Science.gov (United States)

Gasbarrone, R.; Currà, A.; Cardillo, A.; Bonifazi, G.; Serranti, S.

2018-02-01

Optical spectroscopy is a powerful tool in research and industrial applications. Its properties of being rapid, non-invasive and not destructive make it a promising technique for qualitative as well as quantitative analysis in medicine. Recent advances in materials and fabrication techniques provided portable, performant, sensing spectrometers readily operated by user-friendly cabled or wireless systems. We used such a system to test whether infrared spectroscopy techniques, currently utilized in many areas as primary/secondary raw materials sector, cultural heritage, agricultural/food industry, environmental remote and proximal sensing, pharmaceutical industry, etc., could be applied in living humans to categorize muscles. We acquired muscles infrared spectra in the Vis-SWIR regions (350-2500 nm), utilizing an ASD FieldSpec 4 Standard-Res Spectroradiometer with a spectral sampling capability of 1.4 nm at 350-1000 nm and 1.1 nm at 1001-2500 nm. After a preliminary spectra pre-processing (i.e. signal scattering reduction), Principal Component Analysis (PCA) was applied to identify similar spectral features presence and to realize their further grouping. Partial Least-Squares Discriminant Analysis (PLS-DA) was utilized to implement discrimination/prediction models. We studied 22 healthy subjects (age 25-89 years, 11 females), by acquiring Vis-SWIR spectra from the upper limb muscles (i.e. biceps, a forearm flexor, and triceps, a forearm extensor). Spectroscopy was performed in fixed limb postures (elbow angle approximately 90‡). We found that optical spectroscopy can be applied to study human tissues in vivo. Vis-SWIR spectra acquired from the arm detect muscles, distinguish flexors from extensors.

Developments in enzyme immobilization and near-infrared Raman spectroscopy with downstream renewable energy applications

Energy Technology Data Exchange (ETDEWEB)

Lupoi, Jason [Iowa State Univ., Ames, IA (United States)

2012-01-01

This dissertation focuses on techniques for (1) increasing ethanol yields from saccharification and fermentation of cellulose using immobilized cellulase, and (2) the characterization and classification of lignocellulosic feedstocks, and quantification of useful parameters such as the syringyl/guaiacyl (S/G) lignin monomer content using 1064 nm dispersive multichannel Raman spectroscopy and chemometrics.

Usefulness of near infrared spectroscopy and chemometrics in screening of the quality of dessert wine Prošek

Directory of Open Access Journals (Sweden)

T. Lovrić

2011-01-01

Full Text Available NIRS has been applied for the analysis of dessert wine Prošek produced from dried grapes of Pošip and Plavac mali cv. in a semi-scaled fermentation. It is a fast and non-destructive analytical method that in association with chemometrics is becoming more frequently used technique. NIR spectra were measured and the relative density, alcohol content, dry extract, reducing sugars, pH, total acidity, volatile acidity, ash, free sulphur dioxide and total sulphur dioxide were determined. The range of NIRS used in this paper was 904–1699 nm (i.e. 11062–5886 cm−1 because in this range vibrations of C–H, O–H, S–H and N–H bonds can mainly be observed. Using the basic principles of multivariate analysis, principal component analysis (PCA, was used to reduce the input matrix in order to look for significant relationships between the NIR spectra and the observed characteristics of wine Prošek. Chemometrics applied here resulted in further discrimination between samples. The main features of the spectra are absorption bands at 1580 and 1670 nm, which are related to the first overtone of the C–H stretch. Absorption bands around 908 nm, present the stretches related to the 3rd C–H overtone and 2nd overtone of the O–H stretch of H2O and ethanol. PC1 and PC2, the first two components, gave the highest level of classification (≈95 % based on the grape used for wine production as well as on the added yeast. The potential of NIRS, as a non-destructive method, is screening of basic parameters that are usually determined during the winemaking and ageing of wine. The results of investigations confirm that NIRS combined with chemometric analysis is a promising tool for quality control and for on-line application in the control of the final product, Prošek.

Ischemia monitoring in off-pump coronary artery bypass surgery using intravascular near-infrared spectroscopy

Directory of Open Access Journals (Sweden)

Zerkowski Hans-Reinhard

2006-05-01

Full Text Available Abstract Background In off-pump coronary artery bypass surgery, manipulations on the beating heart can lead to transient interruptions of myocardial oxygen supply, which can generate an accumulation of oxygen-dependent metabolites in coronary venous blood. The objective of this study was to evaluate the reliability of intravascular near-infrared spectroscopy as a monitoring method to detect possible ischemic events in off-pump coronary artery bypass procedures. Methods In 15 elective patients undergoing off-pump myocardial revascularization, intravascular near-infrared spectroscopic analysis of coronary venous blood was performed. NIR signals were transferred through a fiberoptic catheter for signal emission and collection. For data analysis and processing, a miniature spectrophotometer with multivariate statistical package was used. Signal acquisition and analysis were performed before and after revascularization. Spectroscopic data were compared with hemodynamic parameters, electrocardiogram, transesophageal echocardiography and laboratory findings. Results A conversion to extracorporeal circulation was not necessary. The mean number of grafts per patient was 3.1 ± 0.6. An intraoperative myocardial ischemia was not evident, as indicated by electrocardiogram and transesophageal echocardiography. Continuous spectroscopic analysis showed reproducible absorption spectra of coronary sinus blood. Due to uneventful intraoperative courses, clear ischemia-related changes could be detected in none of the patients. Conclusion Our initial results show that intravascular near-infrared spectroscopy can reliably be used for an online intraoperative ischemia monitoring in off-pump coronary artery bypass surgery. However, the method has to be further evaluated and standardized to determine the role of spectroscopy in off-pump coronary artery bypass surgery.

Near-infrared spectroscopy determined cerebral oxygenation with eliminated skin blood flow in young males

DEFF Research Database (Denmark)

Hirasawa, Ai; Kaneko, Takahito; Tanaka, Naoki

2016-01-01

We estimated cerebral oxygenation during handgrip exercise and a cognitive task using an algorithm that eliminates the influence of skin blood flow (SkBF) on the near-infrared spectroscopy (NIRS) signal. The algorithm involves a subtraction method to develop a correction factor for each subject. ...

Dataset of Fourier transform-infrared coupled with chemometric analysis used to distinguish accessions of Garcinia mangostana L. in Peninsular Malaysia

Directory of Open Access Journals (Sweden)

Sri A’jilah Samsir

2016-09-01

Full Text Available In this dataset, we distinguish 15 accessions of Garcinia mangostana from Peninsular Malaysia using Fourier transform-infrared spectroscopy coupled with chemometric analysis. We found that the position and intensity of characteristic peaks at 3600–3100 cm−1 in IR spectra allowed discrimination of G. mangostana from different locations. Further principal component analysis (PCA of all the accessions suggests the two main clusters were formed: samples from Johor, Melaka, and Negeri Sembilan (South were clustered together in one group while samples from Perak, Kedah, Penang, Selangor, Kelantan, and Terengganu (North and East Coast were in another clustered group. Keywords: Apomictic, Mangosteen, Fourier Transformed-Infrared, Peninsular Malaysia

Qualitative and Quantitative Analysis of Heparin during Precipitation by Near-Infrared Spectroscopy

OpenAIRE

Lian Li; Jinfeng Wang; Hengchang Zang; Hui Zhang; Wei Jiang; Shang Chen; Fengshan Wang

2016-01-01

Heparin is a glycosaminoglycan (GAG) that plays an important role in the blood coagulation system. Its quality is of great importance, so it is necessary to develop a fast analytical method during the manufacture process to analyse the quality of heparin produced. In this study, the heparin contents of 80 samples collected from five batches during the precipitation process were analysed using nearinfrared (NIR) spectroscopy and a chemometrics approach. This was done in order to improve the ef...

Near-Infrared Spatially Resolved Spectroscopy for Tablet Quality Determination.

Science.gov (United States)

Igne, Benoît; Talwar, Sameer; Feng, Hanzhou; Drennen, James K; Anderson, Carl A

2015-12-01

Near-infrared (NIR) spectroscopy has become a well-established tool for the characterization of solid oral dosage forms manufacturing processes and finished products. In this work, the utility of a traditional single-point NIR measurement was compared with that of a spatially resolved spectroscopic (SRS) measurement for the determination of tablet assay. Experimental designs were used to create samples that allowed for calibration models to be developed and tested on both instruments. Samples possessing a poor distribution of ingredients (highly heterogeneous) were prepared by under-blending constituents prior to compaction to compare the analytical capabilities of the two NIR methods. The results indicate that SRS can provide spatial information that is usually obtainable only through imaging experiments for the determination of local heterogeneity and detection of abnormal tablets that would not be detected with single-point spectroscopy, thus complementing traditional NIR measurement systems for in-line, and in real-time tablet analysis. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Underwater near-infrared spectroscopy can measure training adaptations in adolescent swimmers.

Science.gov (United States)

Jones, Ben; Parry, Dave; Cooper, Chris E

2018-01-01

The development of an underwater near-infrared spectroscopy (uNIRS) device has enabled previously unattainable measurements of peripheral muscle hemodynamics and oxygenation to be taken within the natural aquatic environment. The purposes of this study were (i) to trial the use of uNIRS, in a real world training study, and (ii) to monitor the effects of a swim training program upon muscle oxygenation status in short distance swimming. A total of 14 junior club level swimmers completed a repeated swim sprint test before and after an eight week endurance training program. A waterproof, portable Near-Infrared Spectroscopy device was attached to the vastus lateralis . uNIRS successfully measured changes in muscle oxygenation and blood volume in all individuals; rapid sub-second time resolution of the device was able to demonstrate muscle oxygenation changes during the characteristic swim movements. Post training heart rate recovery and swim performance time were significantly improved. uNIRS data also showed significant changes. A larger rise in deoxyhemoglobin during individual sprints suggested training induced an increase in muscle oxygen extraction; a faster recovery time for muscle oxygenation suggested positive training induced changes and significant changes in muscle blood flow also occur. As a strong correlation was seen between an increased reoxygenation rate and an improved swim performance time, these findings support the use of uNIRS as a new performance analysis tool in swimming.

7 CFR 801.7 - Reference methods and tolerances for near-infrared spectroscopy (NIRS) analyzers.

Science.gov (United States)

2010-01-01

... 7 Agriculture 7 2010-01-01 2010-01-01 false Reference methods and tolerances for near-infrared spectroscopy (NIRS) analyzers. 801.7 Section 801.7 Agriculture Regulations of the Department of Agriculture...), DEPARTMENT OF AGRICULTURE OFFICIAL PERFORMANCE REQUIREMENTS FOR GRAIN INSPECTION EQUIPMENT § 801.7 Reference...

Assessment of beer quality based on foamability and chemical composition using computer vision algorithms, near infrared spectroscopy and machine learning algorithms.

Science.gov (United States)

Gonzalez Viejo, Claudia; Fuentes, Sigfredo; Torrico, Damir; Howell, Kate; Dunshea, Frank R

2018-01-01

Beer quality is mainly defined by its colour, foamability and foam stability, which are influenced by the chemical composition of the product such as proteins, carbohydrates, pH and alcohol. Traditional methods to assess specific chemical compounds are usually time-consuming and costly. This study used rapid methods to evaluate 15 foam and colour-related parameters using a robotic pourer (RoboBEER) and chemical fingerprinting using near infrared spectroscopy (NIR) from six replicates of 21 beers from three types of fermentation. Results from NIR were used to create partial least squares regression (PLS) and artificial neural networks (ANN) models to predict four chemometrics such as pH, alcohol, Brix and maximum volume of foam. The ANN method was able to create more accurate models (R 2  = 0.95) compared to PLS. Principal components analysis using RoboBEER parameters and NIR overtones related to protein explained 67% of total data variability. Additionally, a sub-space discriminant model using the absorbance values from NIR wavelengths resulted in the successful classification of 85% of beers according to fermentation type. The method proposed showed to be a rapid system based on NIR spectroscopy and RoboBEER outputs of foamability that can be used to infer the quality, production method and chemical parameters of beer with minimal laboratory equipment. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Regional calibration models for predicting loblolly pine tracheid properties using near-infrared spectroscopy

Science.gov (United States)

Mohamad Nabavi; Joseph Dahlen; Laurence Schimleck; Thomas L. Eberhardt; Cristian Montes

2018-01-01

This study developed regional calibration models for the prediction of loblolly pine (Pinus taeda) tracheid properties using near-infrared (NIR) spectroscopy. A total of 1842 pith-to-bark radial strips, aged 19–31 years, were acquired from 268 trees from 109 stands across the southeastern USA. Diffuse reflectance NIR spectra were collected at 10-mm...

Bound states of water in gelatin discriminated by near-infrared spectroscopy

Science.gov (United States)

Otsuka, Yukiko; Shirakashi, Ryo; Hirakawa, Kazuhiko

2017-11-01

By near-infrared spectroscopy, we classified water molecules in hydrated gelatin membranes in a drying process. Absorbance spectra in the frequency range of 4500-5500 cm-1 were resolved into three peaks, S0, S1, and S2, that correspond to water molecules with different hydrogen bond states. From the areas of the absorbance peaks as a function of the water content of gelatin, together with the information on the freezing properties of water measured by differential scanning calorimetry, we found that, when the water content is less than 20%, free water disappears and only weakly and strongly bound waters remain. We also found that the weakly bound water consists of S0, S1, and S2 water molecules with a simple composition of \\text{S}0:\\text{S}1:\\text{S}2 ≈ 1:2:0. Using this information, most of the freezable water was determined to be free water. Our classification provides a simple method of estimating the retention and freezing properties of processed foods or drugs by infrared spectroscopy.

Noninvasive detection of change in skeletal muscle oxygenation during incremental exercise with near-infrared spectroscopy

Science.gov (United States)

Liu, Fang; Luo, Qingming; Xu, Guodong; Li, Pengcheng

2003-12-01

Near infrared spectroscopy (NIRS) has been developed as a non-invasive method to assess O2 delivery, O2 consumption and blood flow, in diverse local muscle groups at rest and during exercise. The aim of this study was to investigate local O2 consumption in exercising muscle by use of near-infrared spectroscopy (NIRS). Ten elite athletes of different sport items were tested in rest and during step incremental load exercise. Local variations of quadriceps muscles were investigated with our wireless NIRS blood oxygen monitor system. The results show that the changes of blood oxygen relate on the sport items, type of muscle, kinetic capacity et al. These results indicate that NIRS is a potential useful tool to detect local muscle oxygenation and blood flow profiles; therefore it might be easily applied for evaluating the effect of athletes training.

Underwater near-infrared spectroscopy can measure training adaptations in adolescent swimmers

OpenAIRE

Ben Jones; Dave Parry; Chris E. Cooper

2018-01-01

The development of an underwater near-infrared spectroscopy (uNIRS) device has enabled previously unattainable measurements of peripheral muscle hemodynamics and oxygenation to be taken within the natural aquatic environment. The purposes of this study were (i) to trial the use of uNIRS, in a real world training study, and (ii) to monitor the effects of a swim training program upon muscle oxygenation status in short distance swimming. A total of 14 junior club level swimmers completed a repea...

Near-infrared spectroscopy for cocrystal screening. A comparative study with Raman spectroscopy.

Science.gov (United States)

Allesø, Morten; Velaga, Sitaram; Alhalaweh, Amjad; Cornett, Claus; Rasmussen, Morten A; van den Berg, Frans; de Diego, Heidi Lopez; Rantanen, Jukka

2008-10-15

Near-infrared (NIR) spectroscopy is a well-established technique for solid-state analysis, providing fast, noninvasive measurements. The use of NIR spectroscopy for polymorph screening and the associated advantages have recently been demonstrated. The objective of this work was to evaluate the analytical potential of NIR spectroscopy for cocrystal screening using Raman spectroscopy as a comparative method. Indomethacin was used as the parent molecule, while saccharin and l-aspartic acid were chosen as guest molecules. Molar ratios of 1:1 for each system were subjected to two types of preparative methods. In the case of saccharin, liquid-assisted cogrinding as well as cocrystallization from solution resulted in a stable 1:1 cocrystalline phase termed IND-SAC cocrystal. For l-aspartic acid, the solution-based method resulted in a polymorphic transition of indomethacin into the metastable alpha form retained in a physical mixture with the guest molecule, while liquid-assisted cogrinding did not induce any changes in the crystal lattice. The good chemical peak selectivity of Raman spectroscopy allowed a straightforward interpretation of sample data by analyzing peak positions and comparing to those of pure references. In addition, Raman spectroscopy provided additional information on the crystal structure of the IND-SAC cocrystal. The broad spectral line shapes of NIR spectra make visual interpretation of the spectra difficult, and consequently, multivariate modeling by principal component analysis (PCA) was applied. Successful use of NIR/PCA was possible only through the inclusion of a set of reference mixtures of parent and guest molecules representing possible solid-state outcomes from the cocrystal screening. The practical hurdle related to the need for reference mixtures seems to restrict the applicability of NIR spectroscopy in cocrystal screening.

Inline monitoring of adsorption of Butane Isomers with near infrared spectroscopy: Drift Correction in time based experiments

NARCIS (Netherlands)

Ferreira, A.; Boelens, H.F.M.; Westerhuis, J.A.

2005-01-01

Near-infrared (NIR) spectroscopy is used to monitor online a large variety of processes. Hydrocarbons with their strong NIR spectral signature are good candidate analytes. For this work, the sorption data are measured in a manometric setup coupled with online NIR spectroscopy, to monitor the bulk

Rapid quantification of casein in skim milk using Fourier transform infrared spectroscopy, enzymatic perturbation, and multiway partial least squares: Monitoring chymosin at work

DEFF Research Database (Denmark)

Baum, Andreas; Hansen, P. W.; Nørgaard, Lars

2016-01-01

In this study, we introduce enzymatic perturbation combined with Fourier transform infrared (FTIR) spectroscopy as a concept for quantifying casein in subcritical heated skim milk using chemometric multiway analysis. Chymosin is a protease that cleaves specifically caseins. As a result of hydroly......In this study, we introduce enzymatic perturbation combined with Fourier transform infrared (FTIR) spectroscopy as a concept for quantifying casein in subcritical heated skim milk using chemometric multiway analysis. Chymosin is a protease that cleaves specifically caseins. As a result...... of hydrolysis, all casein proteins clot to form a creamy precipitate, and whey proteins remain in the supernatant. We monitored the cheese-clotting reaction in real time using FTIR and analyzed the resulting evolution profiles to establish calibration models using parallel factor analysis and multiway partial...

Biodiesel classification by base stock type (vegetable oil) using near infrared spectroscopy data

Energy Technology Data Exchange (ETDEWEB)

Balabin, Roman M., E-mail: balabin@org.chem.ethz.ch [Department of Chemistry and Applied Biosciences, ETH Zurich, 8093 Zurich (Switzerland); Safieva, Ravilya Z. [Gubkin Russian State University of Oil and Gas, 119991 Moscow (Russian Federation)

2011-03-18

The use of biofuels, such as bioethanol or biodiesel, has rapidly increased in the last few years. Near infrared (near-IR, NIR, or NIRS) spectroscopy (>4000 cm{sup -1}) has previously been reported as a cheap and fast alternative for biodiesel quality control when compared with infrared, Raman, or nuclear magnetic resonance (NMR) methods; in addition, NIR can easily be done in real time (on-line). In this proof-of-principle paper, we attempt to find a correlation between the near infrared spectrum of a biodiesel sample and its base stock. This correlation is used to classify fuel samples into 10 groups according to their origin (vegetable oil): sunflower, coconut, palm, soy/soya, cottonseed, castor, Jatropha, etc. Principal component analysis (PCA) is used for outlier detection and dimensionality reduction of the NIR spectral data. Four different multivariate data analysis techniques are used to solve the classification problem, including regularized discriminant analysis (RDA), partial least squares method/projection on latent structures (PLS-DA), K-nearest neighbors (KNN) technique, and support vector machines (SVMs). Classifying biodiesel by feedstock (base stock) type can be successfully solved with modern machine learning techniques and NIR spectroscopy data. KNN and SVM methods were found to be highly effective for biodiesel classification by feedstock oil type. A classification error (E) of less than 5% can be reached using an SVM-based approach. If computational time is an important consideration, the KNN technique (E = 6.2%) can be recommended for practical (industrial) implementation. Comparison with gasoline and motor oil data shows the relative simplicity of this methodology for biodiesel classification.

Biodiesel classification by base stock type (vegetable oil) using near infrared spectroscopy data

International Nuclear Information System (INIS)

Balabin, Roman M.; Safieva, Ravilya Z.

2011-01-01

The use of biofuels, such as bioethanol or biodiesel, has rapidly increased in the last few years. Near infrared (near-IR, NIR, or NIRS) spectroscopy (>4000 cm -1 ) has previously been reported as a cheap and fast alternative for biodiesel quality control when compared with infrared, Raman, or nuclear magnetic resonance (NMR) methods; in addition, NIR can easily be done in real time (on-line). In this proof-of-principle paper, we attempt to find a correlation between the near infrared spectrum of a biodiesel sample and its base stock. This correlation is used to classify fuel samples into 10 groups according to their origin (vegetable oil): sunflower, coconut, palm, soy/soya, cottonseed, castor, Jatropha, etc. Principal component analysis (PCA) is used for outlier detection and dimensionality reduction of the NIR spectral data. Four different multivariate data analysis techniques are used to solve the classification problem, including regularized discriminant analysis (RDA), partial least squares method/projection on latent structures (PLS-DA), K-nearest neighbors (KNN) technique, and support vector machines (SVMs). Classifying biodiesel by feedstock (base stock) type can be successfully solved with modern machine learning techniques and NIR spectroscopy data. KNN and SVM methods were found to be highly effective for biodiesel classification by feedstock oil type. A classification error (E) of less than 5% can be reached using an SVM-based approach. If computational time is an important consideration, the KNN technique (E = 6.2%) can be recommended for practical (industrial) implementation. Comparison with gasoline and motor oil data shows the relative simplicity of this methodology for biodiesel classification.

Intact neurovascular coupling during executive function in migraine without aura: interictal near-infrared spectroscopy study

DEFF Research Database (Denmark)

Schytz, H W; Ciftçi, K; Akin, A

2010-01-01

An altered neurovascular coupling has been proposed in migraine. We aimed to investigate neurovascular coupling during a mental task interictally in patients with migraine without aura (MO) by near-infrared spectroscopy (NIRS). Twelve migraineurs and 12 healthy controls were included. Using NIRS,...

Application of near-infrared spectroscopy to predict microfibril angle of 14-year-old Pinus patula

CSIR Research Space (South Africa)

Zbonak, A

2006-09-01

Full Text Available An investigation was conducted to test the feasibility of near infrared spectroscopy (NIR) as a tool for predicting the microfibril angle (MFA) of solid wood samples of Pinus patula. Thirty 14 year-old trees were selected from three compartments...

NIRS - Near infrared spectroscopy - investigations in neurovascular diseases

DEFF Research Database (Denmark)

Schytz, Henrik Winther

2015-01-01

The purpose of this thesis was to explore and develop methods, where continuous wave near infrared spectroscopy (CW-NIRS) can be applied in different neurovascular diseases, in order to find biological markers that are useful in clinical neurology. To develop a new method to detect changes...... tomography (133Xe-SPECT) and the corrected BFI value. It was concluded, that it was not possible to obtain reliable BFI data with the ICG CW-NIRS method. NIRS measurements of low frequency oscillations (LFOs) may be a reliable method to investigate vascular alterations in neurovascular diseases......, but this requires an acceptable LFOs variation between hemispheres and over time in the healthy brain. The second study therefore investigated day-to-day and hemispheric variations in LFOs with NIRS. It was shown that NIRS might be useful in assessing LFOs between hemispheres, as well as interhemispheric phase...

Near Infrared Spectroscopy Systems for Tissue Oximetry

DEFF Research Database (Denmark)

Petersen, Søren Dahl

for other medical applications. The tissue oximeters are realised by incorporation of pn-diodes into the silicon in order to form arrays of infrared detectors. These arrays can then be used for spatially resolved spectroscopy measurements, with the targeted end user being prematurely born infant children...

Evaluation of light detector surface area for functional Near Infrared Spectroscopy.

Science.gov (United States)

Wang, Lei; Ayaz, Hasan; Izzetoglu, Meltem; Onaral, Banu

2017-10-01

Functional Near Infrared Spectroscopy (fNIRS) is an emerging neuroimaging technique that utilizes near infrared light to detect cortical concentration changes of oxy-hemoglobin and deoxy-hemoglobin non-invasively. Using light sources and detectors over the scalp, multi-wavelength light intensities are recorded as time series and converted to concentration changes of hemoglobin via modified Beer-Lambert law. Here, we describe a potential source for systematic error in the calculation of hemoglobin changes and light intensity measurements. Previous system characterization and analysis studies looked into various fNIRS parameters such as type of light source, number and selection of wavelengths, distance between light source and detector. In this study, we have analyzed the contribution of light detector surface area to the overall outcome. Results from Monte Carlo based digital phantoms indicated that selection of detector area is a critical system parameter in minimizing the error in concentration calculations. The findings here can guide the design of future fNIRS sensors. Copyright © 2017 Elsevier Ltd. All rights reserved.

Near-Infrared Spectroscopic Study of Chlorite Minerals

OpenAIRE

Min Yang; Meifang Ye; Haihui Han; Guangli Ren; Ling Han; Zhuan Zhang

2018-01-01

The mineral chemistry of twenty chlorite samples from the United States Geological Survey (USGS) spectral library and two other regions, having a wide range of Fe and Mg contents and relatively constant Al and Si contents, was studied via infrared (IR) spectroscopy, near-infrared (NIR) spectroscopy, and X-ray fluorescence (XRF) analysis. Five absorption features of the twenty samples near 4525, 4440, 4361, 4270, and 4182 cm−1 were observed, and two diagnostic features at 4440 and 4280 cm−1 we...

Comparison of cortical activation in an upper limb added-purpose task versus a single-purpose task: a near-infrared spectroscopy study

OpenAIRE

Huang, Fubiao; Hirano, Daisuke; Shi, Yun; Taniguchi, Takamichi

2015-01-01

[Purpose] The purpose of this study was to compare prefrontal activations during an added-purpose task with those during a single-purpose task using functional near-infrared spectroscopy. [Subjects] Six healthy right-handed adults were included in this study. [Methods] The participants were instructed to complete both added-purpose and single-purpose activities separately with each hand. The near-infrared spectroscopy probes were placed on the scalp overlying the prefrontal cortex, according ...

Underwater near-infrared spectroscopy can measure training adaptations in adolescent swimmers

Directory of Open Access Journals (Sweden)

Ben Jones

2018-04-01

Full Text Available The development of an underwater near-infrared spectroscopy (uNIRS device has enabled previously unattainable measurements of peripheral muscle hemodynamics and oxygenation to be taken within the natural aquatic environment. The purposes of this study were (i to trial the use of uNIRS, in a real world training study, and (ii to monitor the effects of a swim training program upon muscle oxygenation status in short distance swimming. A total of 14 junior club level swimmers completed a repeated swim sprint test before and after an eight week endurance training program. A waterproof, portable Near-Infrared Spectroscopy device was attached to the vastus lateralis. uNIRS successfully measured changes in muscle oxygenation and blood volume in all individuals; rapid sub-second time resolution of the device was able to demonstrate muscle oxygenation changes during the characteristic swim movements. Post training heart rate recovery and swim performance time were significantly improved. uNIRS data also showed significant changes. A larger rise in deoxyhemoglobin during individual sprints suggested training induced an increase in muscle oxygen extraction; a faster recovery time for muscle oxygenation suggested positive training induced changes and significant changes in muscle blood flow also occur. As a strong correlation was seen between an increased reoxygenation rate and an improved swim performance time, these findings support the use of uNIRS as a new performance analysis tool in swimming.

[Near-infrared spectroscopy as an auxiliary tool in the study of child development].

Science.gov (United States)

Oliveira, Suelen Rosa de; Machado, Ana Carolina Cabral de Paula; Miranda, Débora Marques de; Campos, Flávio Dos Santos; Ribeiro, Cristina Oliveira; Magalhães, Lívia de Castro; Bouzada, Maria Cândida Ferrarez

2015-01-01

To investigate the applicability of Near-Infrared Spectroscopy (NIRS) for cortical hemodynamic assessment tool as an aid in the study of child development. Search was conducted in the PubMed and Lilacs databases using the following keywords: "psychomotor performance/child development/growth and development/neurodevelopment/spectroscopy/near-infrared" and their equivalents in Portuguese and Spanish. The review was performed according to criteria established by Cochrane and search was limited to 2003 to 2013. English, Portuguese and Spanish were included in the search. Of the 484 articles, 19 were selected: 17 cross-sectional and two longitudinal studies, published in non-Brazilian journals. The analyzed articles were grouped in functional and non-functional studies of child development. Functional studies addressed the object processing, social skills development, language and cognitive development. Non-functional studies discussed the relationship between cerebral oxygen saturation and neurological outcomes, and the comparison between the cortical hemodynamic response of preterm and term newborns. NIRS has become an increasingly feasible alternative and a potentially useful technique for studying functional activity of the infant brain. Copyright © 2015 Associação de Pediatria de São Paulo. Publicado por Elsevier Editora Ltda. All rights reserved.

Characterisation of olive fruit for the milling process by using visible/near infrared spectroscopy

Directory of Open Access Journals (Sweden)

Roberto Beghi

2013-10-01

Full Text Available Increasing consumption of olive oil and table olives has recently determined an expansion of olive tree cultivation in the world. This trend is supported by the documented nutritional value of the Mediterranean diet. The aim of this work was to test a portable visible/ near infrared (vis/NIR system (400-1000 nm for the analysis of physical-chemical parameters, such as olive soluble solid content (SSC and texture before the olive oil extraction process. The final goal is to provide the sector with post-harvest methods and sorting systems for a quick evaluation of important properties of olive fruit. In the present study, a total of 109 olives for oil production were analysed. Olive spectra registered with the optical device and values obtained with destructive analysis in the laboratory were analysed. Specific statistical models were elaborated to study correlations between optical and laboratory analysis, and to evaluate predictions of reference parameters obtained through the analysis of the visible-near infrared range. Statistical models were processed using chemometric techniques to extract maximum data information. Principal component analysis (PCA was performed on vis/NIR spectra to examine sample groupings and identify outliers, while partial least square (PLS regression algorithm was used to correlate samples spectra and physical- chemical properties. Results are encouraging. PCA showed a significant sample grouping among different ranges of SSC and texture. PLS models gave fairly good predictive capabilities in validation for SSC (R2=0.67 and RMSECV%=7.5% and texture (R2=0.68 and RMSECV%=8.2%.

Near infrared spectroscopy in the development of solid dosage forms.

Science.gov (United States)

Räsänen, Eetu; Sandler, Niklas

2007-02-01

The use of near infrared (NIR) spectroscopy has rapidly grown partly due to demands of process analytical applications in the pharmaceutical industry. Furthermore, newest regulatory guidelines have advanced the increase of the use of NIR technologies. The non-destructive and non-invasive nature of measurements makes NIR a powerful tool in characterization of pharmaceutical solids. These benefits among others often make NIR advantageous over traditional analytical methods. However, in addition to NIR, a wide variety of other tools are naturally also available for analysis in pharmaceutical development and manufacturing, and those can often be more suitable for a given application. The versatility and rapidness of NIR will ensure its contribution to increased process understanding, better process control and improved quality of drug products. This review concentrates on the use of NIR spectroscopy from a process research perspective and highlights recent applications in the field.

Combined optimal-pathlengths method for near-infrared spectroscopy analysis

International Nuclear Information System (INIS)

Liu Rong; Xu Kexin; Lu Yanhui; Sun Huili

2004-01-01

Near-infrared (NIR) spectroscopy is a rapid, reagent-less and nondestructive analytical technique, which is being increasingly employed for quantitative application in chemistry, pharmaceutics and food industry, and for the optical analysis of biological tissue. The performance of NIR technology greatly depends on the abilities to control and acquire data from the instrument and to calibrate and analyse data. Optical pathlength is a key parameter of the NIR instrument, which has been thoroughly discussed in univariate quantitative analysis in the presence of photometric errors. Although multiple wavelengths can provide more chemical information, it is difficult to determine a single pathlength that is suitable for each wavelength region. A theoretical investigation of a selection procedure for multiple pathlengths, called the combined optimal-pathlengths (COP) method, is identified in this paper and an extensive comparison with the single pathlength method is also performed on simulated and experimental NIR spectral data sets. The results obtained show that the COP method can greatly improve the prediction accuracy in NIR spectroscopy quantitative analysis

Rapid determination of sugar level in snack products using infrared spectroscopy.

Science.gov (United States)

Wang, Ting; Rodriguez-Saona, Luis E

2012-08-01

Real-time spectroscopic methods can provide a valuable window into food manufacturing to permit optimization of production rate, quality and safety. There is a need for cutting edge sensor technology directed at improving efficiency, throughput and reliability of critical processes. The aim of the research was to evaluate the feasibility of infrared systems combined with chemometric analysis to develop rapid methods for determination of sugars in cereal products. Samples were ground and spectra were collected using a mid-infrared (MIR) spectrometer equipped with a triple-bounce ZnSe MIRacle attenuated total reflectance accessory or Fourier transform near infrared (NIR) system equipped with a diffuse reflection-integrating sphere. Sugar contents were determined using a reference HPLC method. Partial least squares regression (PLSR) was used to create cross-validated calibration models. The predictability of the models was evaluated on an independent set of samples and compared with reference techniques. MIR and NIR spectra showed characteristic absorption bands for sugars, and generated excellent PLSR models (sucrose: SEP 0.96). Multivariate models accurately and precisely predicted sugar level in snacks allowing for rapid analysis. This simple technique allows for reliable prediction of quality parameters, and automation enabling food manufacturers for early corrective actions that will ultimately save time and money while establishing a uniform quality. The U.S. snack food industry generates billions of dollars in revenue each year and vibrational spectroscopic methods combined with pattern recognition analysis could permit optimization of production rate, quality, and safety of many food products. This research showed that infrared spectroscopy is a powerful technique for near real-time (approximately 1 min) assessment of sugar content in various cereal products. © 2012 Institute of Food Technologists®

[Application of Fourier transform infrared spectroscopy in identification of wine spoilage].

Science.gov (United States)

Zhao, Xian-De; Dong, Da-Ming; Zheng, Wen-Gang; Jiao, Lei-Zi; Lang, Yun

2014-10-01

In the present work, fresh and spoiled wine samples from three wines produced by different companies were studied u- sing Fourier transform infrared (FTIR) spectroscopy. We analyzed the physicochemical property change in the process of spoil- age, and then, gave out the attribution of some main FTIR absorption peaks. A novel determination method was explored based on the comparisons of some absorbance ratios at different wavebands although the absorbance ratios in this method were relative. Through the compare of the wine spectra before and after spoiled, the authors found that they were informative at the bands of 3,020~2,790, 1,760~1,620 and 1,550~800 cm(-1). In order to find the relation between these informative spectral bands and the wine deterioration and achieve the discriminant analysis, chemometrics methods were introduced. Principal compounds analysis (PCA) and soft independent modeling of class analogy (SIMCA) were used for classifying different-quality wines. And partial least squares discriminant analysis (PLS-DA) was applied to identify spoiled wines and good wines. Results showed that FTIR technique combined with chemometrics methods could effectively distinguish spoiled wines from fresh samples. The effect of classification at the wave band of 1 550-800 cm(-1) was the best. The recognition rate of SIMCA and PLSDA were respectively 94% and 100%. This study demonstrates that Fourier transform infrared spectroscopy is an effective tool for monitoring red wine's spoilage and provides theoretical support for developing early-warning equipments.

Determination of soil content in chlordecone (organochlorine pesticide) using near infrared reflectance spectroscopy (NIRS)

International Nuclear Information System (INIS)

Brunet, Didier; Woignier, Thierry; Lesueur-Jannoyer, Magalie; Achard, Raphael; Rangon, Luc; Barthes, Bernard G.

2009-01-01

Chlordecone is a toxic organochlorine insecticide that was used in banana plantations until 1993 in the French West Indies. This study aimed at assessing the potential of near infrared reflectance spectroscopy (NIRS) for determining chlordecone content in Andosols, Nitisols and Ferralsols from Martinique. Using partial least square regression, chlordecone content conventionally determined through gas chromatography-mass spectrometry could be correctly predicted by NIRS (Q 2 = 0.75, R 2 = 0.82 for the total set), especially for samples with chlordecone content -1 or when the sample set was rather homogeneous (Q 2 = 0.91, R 2 = 0.82 for the Andosols). Conventional measures and NIRS predictions were poorly correlated for chlordecone content >12 mg kg -1 , nevertheless ca. 80% samples were correctly predicted when the set was divided into three or four classes of chlordecone content. Thus NIRS could be considered a time- and cost-effective method for characterising soil contamination by chlordecone. - Soil content in chlordecone, an organochlorine insecticide, can be determined time- and cost-effectively using near infrared reflectance spectroscopy (NIRS).

Rapidly Simultaneous Determination of Six Effective Components in Cistanche tubulosa by Near Infrared Spectroscopy

Directory of Open Access Journals (Sweden)

Xinhong Wang

2017-05-01

Full Text Available Quantitative determination of multiple effective components in a given plant usually requires a very large amount of authentic natural products. In this study, we proposed a rapid and non-destructive method for the simultaneous determination of echinacoside, verbascoside, mannitol, sucrose, glucose and fructose in Cistanche tubulosa by near infrared spectroscopy (NIRS. Near infrared diffuse reflectance spectroscopy (DRS and high performance liquid chromatography (HPLC were conducted on 116 batches of C. tubulosa samples. The DRS data were processed using standard normal variety (SNV and multiplicative scatter correction (MSC methods. Partial least squares regression (PLSR was utilized to build calibration models for components-of-interest in C. tubulosa. All models were then assessed by calculating the root mean square error of calibration (RMSEC, correlation coefficient of calibration (r. The r values of all six calibration models were determined to be greater than 0.94, suggesting each model is reliable. Therefore, the quantitative NIR models reported in this study can be qualified to accurately quantify the contents of six medicinal components in C. tubulosa.

Determination of soil content in chlordecone (organochlorine pesticide) using near infrared reflectance spectroscopy (NIRS)

Energy Technology Data Exchange (ETDEWEB)

Brunet, Didier, E-mail: didier.brunet@ird.f [IRD - Institut de Recherche pour le Developpement, UMR Eco and Sols (Ecologie Fonctionnelle et Biogeochimie des Sols), Montpellier SupAgro, Batiment 12, 2 place Viala, 34060 Montpellier Cedex 1 (France); Woignier, Thierry [IRD, UMR Eco and Sols, PRAM (Pole de Recherche Agronomique de la Martinique), BP 213, Petit Morne, 97232 Le Lamentin, Martinique (French West Indies) (France); CNRS - Centre National de la Recherche Scientifique, Universite Montpellier 2, place Eugene Bataillon, 34095 Montpellier Cedex 5 (France); Lesueur-Jannoyer, Magalie; Achard, Raphael [CIRAD (Centre de Cooperation Internationale en Recherche Agronomique pour le Developpement), PRAM, BP 213, Petit Morne, 97232 Le Lamentin, Martinique (French West Indies) (France); Rangon, Luc [IRD, UMR Eco and Sols, PRAM (Pole de Recherche Agronomique de la Martinique), BP 213, Petit Morne, 97232 Le Lamentin, Martinique (French West Indies) (France); Barthes, Bernard G. [IRD - Institut de Recherche pour le Developpement, UMR Eco and Sols (Ecologie Fonctionnelle et Biogeochimie des Sols), Montpellier SupAgro, Batiment 12, 2 place Viala, 34060 Montpellier Cedex 1 (France)

2009-11-15

Chlordecone is a toxic organochlorine insecticide that was used in banana plantations until 1993 in the French West Indies. This study aimed at assessing the potential of near infrared reflectance spectroscopy (NIRS) for determining chlordecone content in Andosols, Nitisols and Ferralsols from Martinique. Using partial least square regression, chlordecone content conventionally determined through gas chromatography-mass spectrometry could be correctly predicted by NIRS (Q{sup 2} = 0.75, R{sup 2} = 0.82 for the total set), especially for samples with chlordecone content <12 mg kg{sup -1} or when the sample set was rather homogeneous (Q{sup 2} = 0.91, R{sup 2} = 0.82 for the Andosols). Conventional measures and NIRS predictions were poorly correlated for chlordecone content >12 mg kg{sup -1}, nevertheless ca. 80% samples were correctly predicted when the set was divided into three or four classes of chlordecone content. Thus NIRS could be considered a time- and cost-effective method for characterising soil contamination by chlordecone. - Soil content in chlordecone, an organochlorine insecticide, can be determined time- and cost-effectively using near infrared reflectance spectroscopy (NIRS).

Neuroimaging with functional near infrared spectroscopy: From formation to interpretation

Science.gov (United States)

Herrera-Vega, Javier; Treviño-Palacios, Carlos G.; Orihuela-Espina, Felipe

2017-09-01

Functional Near Infrared Spectroscopy (fNIRS) is gaining momentum as a functional neuroimaging modality to investigate the cerebral hemodynamics subsequent to neural metabolism. As other neuroimaging modalities, it is neuroscience's tool to understand brain systems functions at behaviour and cognitive levels. To extract useful knowledge from functional neuroimages it is critical to understand the series of transformations applied during the process of the information retrieval and how they bound the interpretation. This process starts with the irradiation of the head tissues with infrared light to obtain the raw neuroimage and proceeds with computational and statistical analysis revealing hidden associations between pixels intensities and neural activity encoded to end up with the explanation of some particular aspect regarding brain function.To comprehend the overall process involved in fNIRS there is extensive literature addressing each individual step separately. This paper overviews the complete transformation sequence through image formation, reconstruction and analysis to provide an insight of the final functional interpretation.

Can spectroscopy in combination with chemometrics replace minks in digestibility tests?

DEFF Research Database (Denmark)

Dahl, P.L.; Christensen, B.M.; Munck, L.

2000-01-01

One of the most relevant but expensive methods of assessing the quality of fish meal is the physiological digestibility test with minks. The purpose of this study was to determine whether spectroscopic and chemical analyses evaluated with chemometrics can replace minks in digestibility tests....... The spectroscopic methods used were the two complementary techniques of fluorescence emission and near-infrared reflectance. The investigation included 54 samples of high-quality fish meal ranging from 89.6 to 93.9 on the mink digestibility index. The investigation also included determination of seven quality...... parameters in the fish meal to substantiate the spectroscopic models on the mink digestibility. These quality parameters include the content of protein, oil, water, water-soluble protein, ash and the biogenic substance cadaverine as well as the titration value. The study demonstrates that the mink...

Near-infrared spectroscopy (NIRS) in a piglet model

DEFF Research Database (Denmark)

Clausen, Nicola Groes; Spielmann, Nelly; Ringer, Simone K.

2017-01-01

Near-infrared spectroscopy (NIRS) in a piglet model: readings are influenced by the colour of the cover Clausen NG1,2, Spielmann N1,3, Weiss M1,3, Ringer SK4 1Children’s Research Center, University Children’s Hospital of Zurich, Switzerland; 2Department of Anaesthesiology and Intensive Care, Odense....... The rSO2 was measured by placing NIRS sensors in the supra glabellar region. In 12 animals sensors were covered with a uni-coloured pink (P) napkin and a turquoise (T) napkin in a random order (Setting A). In further 13 animals sensors were covered with blue-coloured surgical drape (SD) and a napkin...... with a reddish SantaClaus (SC) motive (Setting B). Uncovered (UC) baseline values were captured and measurements obtained for a period of three minutes. During measurements, the animals were kept in normoterm, normotensive, normoglycaemic and normoxic condition. Inspired oxygen fraction and ventilatory settings...

State-of-art application of near infrared spectroscopy for functional diagnostics in neonatology

International Nuclear Information System (INIS)

Wolf, M.; Paiziev, A.

2013-01-01

The present brief review is devoted to application of near infra-red spectroscopy (NIRS) for early diagnostics of human brain injury. The number of commercially accessible NIRS instruments, and accordingly their users, increases but the precision of measurements and their reproducibility from the clinical point of view essentially depend on used algorithms, a kind of the NIRS-instrument, sensors, which frequently leads to the different values of the measurable parameters of blood oxygen saturation (StO 2 ). We present some commercially accessible NIRS instruments for control of an oxygen saturation degree in human blood, first of all in neonatology, on the basis of absorption and scattering of near infra-red light at human tissue chromophores. The results of clinical investigations of different NIRS-spectrometers for measurements of in-vivo new-born child' blood saturation are presented as well. (authors)

A mesenteric traction syndrome affects near-infrared spectroscopy evaluated cerebral oxygenation because skin blood flow increases

DEFF Research Database (Denmark)

Olesen, Niels D; Sørensen, Henrik; Ambrus, Rikard

2018-01-01

During abdominal surgery manipulation of internal organs may induce a "mesenteric traction syndrome" (MTS) including a triad of flushing, hypotension, and tachycardia that lasts for about 30 min. We evaluated whether MTS affects near-infrared spectroscopy (NIRS) assessed frontal lobe oxygenation ...

Optimal hemodynamic response model for functional near-infrared spectroscopy

Directory of Open Access Journals (Sweden)

Muhammad Ahmad Kamran

2015-06-01

Full Text Available Functional near-infrared spectroscopy (fNIRS is an emerging non-invasive brain imaging technique and measures brain activities by means of near-infrared light of 650-950 nm wavelengths. The cortical hemodynamic response (HR differs in attributes at different brain regions and on repetition of trials, even if the experimental paradigm is kept exactly the same. Therefore, an HR model that can estimate such variations in the response is the objective of this research. The canonical hemodynamic response function (cHRF is modeled by using two Gamma functions with six unknown parameters. The HRF model is supposed to be linear combination of HRF, baseline and physiological noises (amplitudes and frequencies of physiological noises are supposed to be unknown. An objective function is developed as a square of the residuals with constraints on twelve free parameters. The formulated problem is solved by using an iterative optimization algorithm to estimate the unknown parameters in the model. Inter-subject variations in HRF and physiological noises have been estimated for better cortical functional maps. The accuracy of the algorithm has been verified using ten real and fifteen simulated data sets. Ten healthy subjects participated in the experiment and their HRF for finger-tapping tasks have been estimated and analyzed. The statistical significance of the estimated activity strength parameters has been verified by employing statistical analysis, i.e., (t-value >tcritical and p-value < 0.05.

Optimal hemodynamic response model for functional near-infrared spectroscopy.

Science.gov (United States)

Kamran, Muhammad A; Jeong, Myung Yung; Mannan, Malik M N

2015-01-01

Functional near-infrared spectroscopy (fNIRS) is an emerging non-invasive brain imaging technique and measures brain activities by means of near-infrared light of 650-950 nm wavelengths. The cortical hemodynamic response (HR) differs in attributes at different brain regions and on repetition of trials, even if the experimental paradigm is kept exactly the same. Therefore, an HR model that can estimate such variations in the response is the objective of this research. The canonical hemodynamic response function (cHRF) is modeled by two Gamma functions with six unknown parameters (four of them to model the shape and other two to scale and baseline respectively). The HRF model is supposed to be a linear combination of HRF, baseline, and physiological noises (amplitudes and frequencies of physiological noises are supposed to be unknown). An objective function is developed as a square of the residuals with constraints on 12 free parameters. The formulated problem is solved by using an iterative optimization algorithm to estimate the unknown parameters in the model. Inter-subject variations in HRF and physiological noises have been estimated for better cortical functional maps. The accuracy of the algorithm has been verified using 10 real and 15 simulated data sets. Ten healthy subjects participated in the experiment and their HRF for finger-tapping tasks have been estimated and analyzed. The statistical significance of the estimated activity strength parameters has been verified by employing statistical analysis (i.e., t-value > t critical and p-value < 0.05).

Application of Near-Infrared and Fourier Transform Infrared Spectroscopy in the Characterization of Ligand-Induced Conformation Changes in Folate Binding Protein Purified from Bovine Milk

DEFF Research Database (Denmark)

Bruun, Susanne Wrang; Holm, Jan; Hansen, Steen Ingemann

2006-01-01

Fourier transform infrared (FT-IR) and near-infrared (NIR) spectroscopy have been applied to detect structural alterations in folate binding protein (FBP) induced by ligation in different buffer types. The amide I region pointed to a beta-sheet to alpha-helix transition upon ligation in acetate...

Usefulness of portable near infrared spectroscopy in olive breeding programs

Energy Technology Data Exchange (ETDEWEB)

Leon-Moreno, L.

2012-11-01

The usefulness of portable near infrared (NIR) spectroscopy as a simple and efficient method to determine some of the main selection traits in olive breeding is evaluated in this work. Calibration models were developed and evaluated using partial least squares (PLS) regression from samples collected in different selection steps of the breeding work and under different experimental conditions. The results showed that accurate enough models (values of correlation between actual and predicted constituent higher than 0.9) were obtained for oil and moisture content in both cross validation and prediction results. Portable NIR spectroscopy could be used for selection of genotypes on the basis of these characters, providing similar ranking of genotypes than reference methods both in different selection steps of the breeding process (progenies and selection plots) and different experimental conditions (on-tree or under laboratory conditions). The advantages of this technique to improve the efficiency of the evaluation process in olive breeding programs are discussed. (Author) 21 refs.

Quantitative Determination of Germinability of Puccinia striiformis f. sp. tritici Urediospores Using Near Infrared Spectroscopy Technology

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Yaqiong Zhao

2015-01-01

Full Text Available Stripe rust caused by Puccinia striiformis f. sp. tritici (Pst is an important disease on wheat. In this study, quantitative determination of germinability of Pst urediospores was investigated by using near infrared reflectance spectroscopy (NIRS combined with quantitative partial least squares (QPLS and support vector regression (SVR. The near infrared spectra of the urediospore samples were acquired using FT-NIR MPA spectrometer and the germination rate of each sample was measured using traditional spore germination method. The best QPLS model was obtained with vector correction as the preprocessing method of the original spectra and 4000–12000 cm−1 as the modeling spectral region while the modeling ratio of the training set to the testing set was 4 : 1. The best SVR model was built when vector normalization was used as the preprocessing method, the modeling ratio was 5 : 1 and the modeling spectral region was 8000–11000 cm−1. The results showed that the effect of the best model built using QPLS or SVR was satisfactory. This indicated that quantitative determination of germinability of Pst urediospores using near infrared spectroscopy technology is feasible. A new method based on NIRS was provided for rapid, automatic, and nondestructive determination of germinability of Pst urediospores.

Twenty years of functional near-infrared spectroscopy: introduction for the special issue.

Science.gov (United States)

Boas, David A; Elwell, Clare E; Ferrari, Marco; Taga, Gentaro

2014-01-15

Papers from four different groups were published in 1993 demonstrating the ability of functional near infrared spectroscopy (fNIRS) to non-invasively measure hemoglobin concentration responses to brain function in humans. This special issue commemorates the first 20years of fNIRS research. The 9 reviews and 49 contributed papers provide a comprehensive survey of the exciting advances driving the field forward and of the myriad of applications that will benefit from fNIRS. Copyright © 2013 Elsevier Inc. All rights reserved.

Brain plasticity and rehabilitation by using Near-Infrared Spectroscopy

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Balconi Michela

2016-04-01

Full Text Available The present review elucidated the use of optical imaging technique (Near-Infrared Spectroscopy, NIRS to better explain the brain plasticity for learning mechanisms, rehabilitation and post-traumatic brain recovery. Some recent applications were discussed, with specific focus on the usability of integrated measures (such as electroencephalography, EEG-NIRS; Transcranial Magnet Stimulation, TMS-NIRS to study plasticity and its dynamic effects. NIRS-Neurofeedback and NIRS-BCI (Brain Computer Interface were also explored as possible tools to produce a specific long-lasting learning in relationship with a specific cognitive domain. Finally a proficient domain where NIRS was found to be useful to test neuroplasticity is the interpersonal brain-to-brain coupling, termed “hyperscanning”, a new emerging paradigm in neuroscience which measures brain activity from two or more people simultaneously.

Increased prefrontal hemodynamic change after atomoxetine administration in pediatric attention-deficit/hyperactivity disorder as measured by near-infrared spectroscopy.

Science.gov (United States)

Ota, Toyosaku; Iida, Junzo; Nakanishi, Yoko; Sawada, Satomi; Matsuura, Hiroki; Yamamuro, Kazuhiko; Ueda, Shotaro; Uratani, Mitsuhiro; Kishimoto, Naoko; Negoro, Hideki; Kishimoto, Toshifumi

2015-03-01

Atomoxetine, approved in Japan for the treatment of pediatric attention-deficit/hyperactivity disorder (ADHD) in April 2009, is a nonstimulant that is thought to act presynaptically via the inhibition of norepinephrine reuptake. Near-infrared spectroscopy is a non-invasive optical tool that can be used to study oxygenation and hemodynamic changes in the cerebral cortex. The present study examined the effects of a clinical dose of atomoxetine on changes in prefrontal hemodynamic activity in children with ADHD, as measured by near-infrared spectroscopy using the Stroop Color-Word Task. Ten children with ADHD participated in the present study. We used 24-channel near-infrared spectroscopy to measure the relative concentrations of oxyhemoglobin in the frontal lobes of participants in the drug-naïve condition and those who had received atomoxetine for 8 weeks. Measurements were conducted every 0.1 s during the Stroop Color-Word Task. We used the ADHD Rating Scale-IV-Japanese version (Home Version) to evaluate ADHD symptoms. We found a significant decrease in ADHD Rating Scale-IV-Japanese version scores, from 30.7 to 22.6 (P=0.003). During the Stroop Color-Word Task, we found significantly higher levels of oxyhemoglobin changes in the prefrontal cortex of participants in the atomoxetine condition compared with those in the drug-naïve condition. This increase in oxyhemoglobin changes might indicate an intensified prefrontal hemodynamic response induced by atomoxetine. Near-infrared spectroscopy is a sensitive tool for measuring the pharmacological effects of atomoxetine in children with ADHD. © 2014 The Authors. Psychiatry and Clinical Neurosciences © 2014 Japanese Society of Psychiatry and Neurology.

[Study on discrimination of varieties of fire resistive coating for steel structure based on near-infrared spectroscopy].

Science.gov (United States)

Xue, Gang; Song, Wen-qi; Li, Shu-chao

2015-01-01

In order to achieve the rapid identification of fire resistive coating for steel structure of different brands in circulating, a new method for the fast discrimination of varieties of fire resistive coating for steel structure by means of near infrared spectroscopy was proposed. The raster scanning near infrared spectroscopy instrument and near infrared diffuse reflectance spectroscopy were applied to collect the spectral curve of different brands of fire resistive coating for steel structure and the spectral data were preprocessed with standard normal variate transformation(standard normal variate transformation, SNV) and Norris second derivative. The principal component analysis (principal component analysis, PCA)was used to near infrared spectra for cluster analysis. The analysis results showed that the cumulate reliabilities of PC1 to PC5 were 99. 791%. The 3-dimentional plot was drawn with the scores of PC1, PC2 and PC3 X 10, which appeared to provide the best clustering of the varieties of fire resistive coating for steel structure. A total of 150 fire resistive coating samples were divided into calibration set and validation set randomly, the calibration set had 125 samples with 25 samples of each variety, and the validation set had 25 samples with 5 samples of each variety. According to the principal component scores of unknown samples, Mahalanobis distance values between each variety and unknown samples were calculated to realize the discrimination of different varieties. The qualitative analysis model for external verification of unknown samples is a 10% recognition ration. The results demonstrated that this identification method can be used as a rapid, accurate method to identify the classification of fire resistive coating for steel structure and provide technical reference for market regulation.

Determining the clay/organic carbon ratio by visible near infrared spectroscopy

DEFF Research Database (Denmark)

Knadel, Maria; Peng, Yi; Hermansen, Cecilie

/OC ratio directly would be valuable. Visible near infrared spectroscopy (vis-NIRS) is a cost-effective method for soil analysis and was tested here for the prediction of clay/OC ratio. Soil samples from two agricultural fields in Denmark (N=115) were analyzed. Partial Least Squares regression (full cross......The recently presented Dexter et al. (2008) threshold (ratio of clay to organic carbon (OC) of 10 kg/kg-1) is a good indicator for soil functional properties. However, the conventional analysis of OC and clay are costly and time consuming, thus an alternative method to quantify OC, clay or clay...

Pharmaceutical Raw Material Identification Using Miniature Near-Infrared (MicroNIR) Spectroscopy and Supervised Pattern Recognition Using Support Vector Machine

OpenAIRE

Sun, Lan; Hsiung, Chang; Pederson, Christopher G.; Zou, Peng; Smith, Valton; von Gunten, Marc; O?Brien, Nada A.

2016-01-01

Near-infrared spectroscopy as a rapid and non-destructive analytical technique offers great advantages for pharmaceutical raw material identification (RMID) to fulfill the quality and safety requirements in pharmaceutical industry. In this study, we demonstrated the use of portable miniature near-infrared (MicroNIR) spectrometers for NIR-based pharmaceutical RMID and solved two challenges in this area, model transferability and large-scale classification, with the aid of support vector machin...

Use of near infrared spectroscopy to measure the chemical and mechanical properties of solid wood

Science.gov (United States)

Stephen S. Kelley; Timothy G. Rials; Rebecca Snell; Leslie H. Groom; Amie Sluiter

2004-01-01

Near infrared (NIR) spectroscopy (500 nm-2400 nm), coupled with multivariate analytic (MVA) statistical techniques, have been used to predict the chemical and mechanical properties of solid loblolly pine wood. The samples were selected from different radial locations and heights of three loblolly pine trees grown in Arkansas. The chemical composition and mechanical...

Rapid determination of acetic acid, furfural and 5-hydroxymethylfurfural in biomass hydrolysate using near-infrared spectroscopy

Science.gov (United States)

Near infrared spectroscopy (NIR) is a rapid detection technique that has been used to characterize biomass. The objective of this study was to develop suitable NIR models to predict the acetic acid, furfural, and 5-hydroxymethylfurfural (HMF) contents in biomass hydrolysates. Using a uniform distrib...

Near and mid infrared spectroscopy and multivariate data analysis in studies of oxidation of edible oils.

Science.gov (United States)

Wójcicki, Krzysztof; Khmelinskii, Igor; Sikorski, Marek; Sikorska, Ewa

2015-11-15

Infrared spectroscopic techniques and chemometric methods were used to study oxidation of olive, sunflower and rapeseed oils. Accelerated oxidative degradation of oils at 60°C was monitored using peroxide values and FT-MIR ATR and FT-NIR transmittance spectroscopy. Principal component analysis (PCA) facilitated visualization and interpretation of spectral changes occurring during oxidation. Multivariate curve resolution (MCR) method found three spectral components in the NIR and MIR spectral matrix, corresponding to the oxidation products, and saturated and unsaturated structures. Good quantitative relation was found between peroxide value and contribution of oxidation products evaluated using MCR--based on NIR (R(2) = 0.890), MIR (R(2) = 0.707) and combined NIR and MIR (R(2) = 0.747) data. Calibration models for prediction peroxide value established using partial least squares (PLS) regression were characterized for MIR (R(2) = 0.701, RPD = 1.7), NIR (R(2) = 0.970, RPD = 5.3), and combined NIR and MIR data (R(2) = 0.954, RPD = 3.1). Copyright © 2015 Elsevier Ltd. All rights reserved.

A review: Functional near infrared spectroscopy evaluation in muscle tissues using Monte Carlo simulation

Science.gov (United States)

Halim, A. A. A.; Laili, M. H.; Salikin, M. S.; Rusop, M.

2018-05-01

Monte Carlo Simulation has advanced their quantification based on number of the photon counting to solve the propagation of light inside the tissues including the absorption, scattering coefficient and act as preliminary study for functional near infrared application. The goal of this paper is to identify the optical properties using Monte Carlo simulation for non-invasive functional near infrared spectroscopy (fNIRS) evaluation of penetration depth in human muscle. This paper will describe the NIRS principle and the basis for its proposed used in Monte Carlo simulation which focused on several important parameters include ATP, ADP and relate with blow flow and oxygen content at certain exercise intensity. This will cover the advantages and limitation of such application upon this simulation. This result may help us to prove that our human muscle is transparent to this near infrared region and could deliver a lot of information regarding to the oxygenation level in human muscle. Thus, this might be useful for non-invasive technique for detecting oxygen status in muscle from living people either athletes or working people and allowing a lots of investigation muscle physiology in future.

Development of Electronic Nose and Near Infrared Spectroscopy Analysis Techniques to Monitor the Critical Time in SSF Process of Feed Protein

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Hui Jiang

2014-10-01

Full Text Available In order to assure the consistency of the final product quality, a fast and effective process monitoring is a growing need in solid state fermentation (SSF industry. This work investigated the potential of non-invasive techniques combined with the chemometrics method, to monitor time-related changes that occur during SSF process of feed protein. Four fermentation trials conducted were monitored by an electronic nose device and a near infrared spectroscopy (NIRS spectrometer. Firstly, principal component analysis (PCA and independent component analysis (ICA were respectively applied to the feature extraction and information fusion. Then, the BP_AdaBoost algorithm was used to develop the fused model for monitoring of the critical time in SSF process of feed protein. Experimental results showed that the identified results of the fusion model are much better than those of the single technique model both in the training and validation sets, and the complexity of the fusion model was also less than that of the single technique model. The overall results demonstrate that it has a high potential in online monitoring of the critical moment in SSF process by use of integrating electronic nose and NIRS techniques, and data fusion from multi-technique could significantly improve the monitoring performance of SSF process.

Fast determination of the resin and rubber content in Parthenium argentatum biomass using near infrared spectroscopy

NARCIS (Netherlands)

Suchat, S.; Pioch, D.; Palu, S.; Tardan, E.; Loo, van E.N.; Davrieux, F.

2013-01-01

Guayule (Parthenium argentatum), a plant native of semi-arid regions of northern Mexico and southern Texas, United States, is an under-used source of hypoallergenic latex, a solution to the serious latex allergy IgE problem worldwide. This study aimed to develop near infrared spectroscopy (NIRS)

Detection and differentiation of bacterial spores in a mineral matrix by Fourier transform infrared spectroscopy (FTIR and chemometrical data treatment

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Brandes Ammann Andrea

2011-07-01

Full Text Available Abstract Background Fourier transform infrared spectroscopy (FTIR has been used as analytical tool in chemistry for many years. In addition, FTIR can also be applied as a rapid and non-invasive method to detect and identify microorganisms. The specific and fingerprint-like spectra allow - under optimal conditions - discrimination down to the species level. The aim of this study was to develop a fast and reproducible non-molecular method to differentiate pure samples of Bacillus spores originating from different species as well as to identify spores in a simple matrix, such as the clay mineral, bentonite. Results We investigated spores from pure cultures of seven different Bacillus species by FTIR in reflection or transmission mode followed by chemometrical data treatment. All species investigated (B. atrophaeus, B. brevis, B. circulans, B. lentus, B. megaterium, B. subtilis, B. thuringiensis are typical aerobic soil-borne spore formers. Additionally, a solid matrix (bentonite and mixtures of benonite with spores of B. megaterium at various wt/wt ratios were included in the study. Both hierarchical cluster analysis and principal component analysis of the spectra along with multidimensional scaling allowed the discrimination of different species and spore-matrix-mixtures. Conclusions Our results show that FTIR spectroscopy is a fast method for species-level discrimination of Bacillus spores. Spores were still detectable in the presence of the clay mineral bentonite. Even a tenfold excess of bentonite (corresponding to 2.1 × 1010 colony forming units per gram of mineral matrix still resulted in an unambiguous identification of B. megaterium spores.

Near-near-infrared thermal lens spectroscopy to assess overtones and combination bands of sulfentrazone pesticide

Science.gov (United States)

Ventura, M.; Silva, J. R.; Andrade, L. H. C.; Scorza Júnior, R. P.; Lima, S. M.

2018-01-01

Thermal lens spectroscopy (TLS) in the near-near-infrared region was used to explore the absorptions of overtones and combination bands of sulfentrazone (SFZ) herbicide diluted in methanol. This spectroscopic region was chosen in order to guarantee that only thermal lens effect is noted during the experimental procedure. The results showed that it was possible to detect very low concentrations ( 2 ng/μL) of SFZ in methanol by determining its thermal diffusivity or the absorption coefficient due to the 3ν(NH) + 1δ(CH) combination band. This minimum SFZ concentration is the limit observed by chromatography method. The findings demonstrated that the TLS can be used for precise and accurate assessment of pesticides in ecosystems. Besides, the 3ν(NH) + 1δ(CH) combination band at 960 nm can be used as a marker for SFZ in methanol.

Dataset of Fourier transform-infrared coupled with chemometric analysis used to distinguish accessions of Garcinia mangostana L. in Peninsular Malaysia.

Science.gov (United States)

Samsir, Sri A'jilah; Bunawan, Hamidun; Yen, Choong Chee; Noor, Normah Mohd

2016-09-01

In this dataset, we distinguish 15 accessions of Garcinia mangostana from Peninsular Malaysia using Fourier transform-infrared spectroscopy coupled with chemometric analysis. We found that the position and intensity of characteristic peaks at 3600-3100 cm(-) (1) in IR spectra allowed discrimination of G. mangostana from different locations. Further principal component analysis (PCA) of all the accessions suggests the two main clusters were formed: samples from Johor, Melaka, and Negeri Sembilan (South) were clustered together in one group while samples from Perak, Kedah, Penang, Selangor, Kelantan, and Terengganu (North and East Coast) were in another clustered group.

Reduced dorsolateral prefrontal cortical hemodynamic response in adult obsessive-compulsive disorder as measured by near-infrared spectroscopy during the verbal fluency task

Directory of Open Access Journals (Sweden)

Hirosawa R

2013-07-01

Full Text Available Rikuei Hirosawa,1 Jin Narumoto,1 Yuki Sakai,1 Seiji Nishida,2 Takuya Ishida,1 Takashi Nakamae,1 Yuichi Takei,3 Kenji Fukui1 1Department of Psychiatry, Graduate School of Medicine, Kyoto Prefectural University of Medicine, Kyoto, 2Maizuru Medical Center, Kyoto, 3Department of Psychiatry and Neuroscience, Gunma University Graduate School of Medicine, Gunma, Japan Background: Near-infrared spectroscopy has helped our understanding of the neurobiological mechanisms of psychiatric disorders and has advantages including noninvasiveness, lower cost, and ease of use compared with other imaging techniques, like functional magnetic resonance imaging. The verbal fluency task is the most common and well established task used to assess cognitive activation during near-infrared spectroscopy. Recent functional neuroimaging studies have shown that the orbitofrontal cortex and other brain regions, including the dorsolateral prefrontal cortex, may play important roles in the pathophysiology of obsessive-compulsive disorder (OCD. This study aimed to evaluate hemodynamic responses in the dorsolateral prefrontal cortex in patients with OCD using near-infrared spectroscopy during the verbal fluency task and to compare these with dorsolateral prefrontal cortex responses in healthy controls. Methods: Twenty patients with OCD and 20 controls matched for age, gender, handedness, and estimated intelligence quotient participated in this study. The verbal fluency task was used to elicit near-infrared spectroscopic activation and consisted of a 30-second pre-task, followed by three repetitions of a 20-second verbal fluency task (total 60 seconds, followed by a 70-second post-task period. The near-infrared spectroscopy experiment was conducted on the same day as surveys of obsessive-compulsive symptoms, depression, and anxiety. Z-scores for changes in the concentration of oxygenated hemoglobin were compared between the OCD patients and controls in 14 channels set over the

Noninvasive measurement of postocclusive parameters in human forearm blood by near infrared spectroscopy

Science.gov (United States)

Rao, K. Prahlad; Radhakrishnan, S.; Reddy, M. Ramasubba

2005-04-01

Near infrared (NIR) light in the wavelength range from 700 to 900 nm can pass through skin, bone and other tissues relatively easily. As a result, NIR techniques allow a noninvasive assessment of hemoglobin saturation for a wide range of applications, such as in the study of muscle metabolism, the diagnosis of vascular disorders, brain imaging, and breast cancer detection. Near infrared Spectroscopy (NIRS) is an effective tool to measure the hemoglobin concentration in the tissues, which can discriminate optically the oxy- and deoxy- hemoglobin species because of their different near-infrared absorption spectra. We have developed an NIRS probe consisting of a laser diode of 830 nm wavelength and a PIN photodiode in reflectance mode. We have selected a set of healthy volunteers (mean age 30, range 26-40 years) for the study. The probe is placed on forearm of each subject and the backscattered light intensity is measured by occluding the blood flow at 210, 110 and 85 mmHg pressures. Recovery time, peak time and time after 50% release of the cuff pressure are determined from the optical densities during the post occlusive state of forearm. These parameters are useful for determining the transient increase in blood flow after the release of blood occlusion. Clinically, the functional aspects of blood flow in the limbs could be evaluated noninvasively by NIRS.

Frontal lobe activation during object permanence: data from near-infrared spectroscopy.

Science.gov (United States)

Baird, Abigail A; Kagan, Jerome; Gaudette, Thomas; Walz, Kathryn A; Hershlag, Natalie; Boas, David A

2002-08-01

The ability to create and hold a mental schema of an object is one of the milestones in cognitive development. Developmental scientists have named the behavioral manifestation of this competence object permanence. Convergent evidence indicates that frontal lobe maturation plays a critical role in the display of object permanence, but methodological and ethical constrains have made it difficult to collect neurophysiological evidence from awake, behaving infants. Near-infrared spectroscopy provides a noninvasive assessment of changes in oxy- and deoxyhemoglobin and total hemoglobin concentration within a prescribed region. The evidence described in this report reveals that the emergence of object permanence is related to an increase in hemoglobin concentration in frontal cortex.

Estimation of muscle fatigue using surface electromyography and near-infrared spectroscopy.

Science.gov (United States)

Taelman, Joachim; Vanderhaegen, Joke; Robijns, Mieke; Naulaers, Gunnar; Spaepen, Arthur; Van Huffel, Sabine

2011-01-01

This study looks at various parameters, derived from surface electromyography (sEMG) and Near Infrared Spectroscopy (NIRS) and their relationship in muscle fatigue during a static elbow flexion until exhaustion as well as during a semidynamic exercise.We found a linear increasing trend for a corrected amplitude parameter and a linear decreasing slope for the frequency content of the sEMG signal. The tissue oxygenation index (TOI) extracted from NIRS recordings showed a four-phase response for all the subjects. A strong correlation between frequency content of the sEMG signal and TOI was established. We can conclude that both sEMG and NIRS give complementary information concerning muscle fatigue.

Comparing predictive ability of Laser-Induced Breakdown Spectroscopy to Near Infrared Spectroscopy for soil texture and organic carbon determination

DEFF Research Database (Denmark)

Knadel, Maria; Peng, Yi; Gislum, René

Soil organic carbon (SOC) and texture have a practical value for agronomy and the environment. Thus, alternative techniques to supplement or substitute for the expensive conventional analysis of soil are developed. Here the feasibility of laser-induced breakdown spectroscopy (LIBS) to determine SOC...... and texture was tested and compared with near infrared spectroscopy (NIRS) technique and traditional laboratory analysis. Calibration models were developed on 50 topsoil samples. For all properties except silt, higher predictive ability of LIBS than NIRS models was obtained. Successful calibrations indicate...... that LIBS can be used as a fast and reliable method for SOC and texture estimation....

Digital Breast Tomosynthesis guided Near Infrared Spectroscopy: Volumetric estimates of fibroglandular fraction and breast density from tomosynthesis reconstructions.

Science.gov (United States)

Vedantham, Srinivasan; Shi, Linxi; Michaelsen, Kelly E; Krishnaswamy, Venkataramanan; Pogue, Brian W; Poplack, Steven P; Karellas, Andrew; Paulsen, Keith D

A multimodality system combining a clinical prototype digital breast tomosynthesis with its imaging geometry modified to facilitate near-infrared spectroscopic imaging has been developed. The accuracy of parameters recovered from near-infrared spectroscopy is dependent on fibroglandular tissue content. Hence, in this study, volumetric estimates of fibroglandular tissue from tomosynthesis reconstructions were determined. A kernel-based fuzzy c-means algorithm was implemented to segment tomosynthesis reconstructed slices in order to estimate fibroglandular content and to provide anatomic priors for near-infrared spectroscopy. This algorithm was used to determine volumetric breast density (VBD), defined as the ratio of fibroglandular tissue volume to the total breast volume, expressed as percentage, from 62 tomosynthesis reconstructions of 34 study participants. For a subset of study participants who subsequently underwent mammography, VBD from mammography matched for subject, breast laterality and mammographic view was quantified using commercial software and statistically analyzed to determine if it differed from tomosynthesis. Summary statistics of the VBD from all study participants were compared with prior independent studies. The fibroglandular volume from tomosynthesis and mammography were not statistically different ( p =0.211, paired t-test). After accounting for the compressed breast thickness, which were different between tomosynthesis and mammography, the VBD from tomosynthesis was correlated with ( r =0.809, p 0.99, paired t-test), and was linearly related to, the VBD from mammography. Summary statistics of the VBD from tomosynthesis were not statistically different from prior studies using high-resolution dedicated breast computed tomography. The observation of correlation and linear association in VBD between mammography and tomosynthesis suggests that breast density associated risk measures determined for mammography are translatable to tomosynthesis

Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements.

Science.gov (United States)

Bai, Wenming; Yoshimura, Norio; Takayanagi, Masao; Che, Jingai; Horiuchi, Naomi; Ogiwara, Isao

2016-06-28

Nondestructive prediction of ingredient contents of farm products is useful to ship and sell the products with guaranteed qualities. Here, near-infrared spectroscopy is used to predict nondestructively total sugar, total organic acid, and total anthocyanin content in each blueberry. The technique is expected to enable the selection of only delicious blueberries from all harvested ones. The near-infrared absorption spectra of blueberries are measured with the diffuse reflectance mode at the positions not on the calyx. The ingredient contents of a blueberry determined by high-performance liquid chromatography are used to construct models to predict the ingredient contents from observed spectra. Partial least squares regression is used for the construction of the models. It is necessary to properly select the pretreatments for the observed spectra and the wavelength regions of the spectra used for analyses. Validations are necessary for the constructed models to confirm that the ingredient contents are predicted with practical accuracies. Here we present a protocol to construct and validate the models for nondestructive prediction of ingredient contents in blueberries by near-infrared spectroscopy.

Rapid identification of soil cadmium pollution risk at regional scale based on visible and near-infrared spectroscopy

NARCIS (Netherlands)

Chen, T.; Changa, Q.; Clevers, J.G.P.W.; Kooistra, L.

2015-01-01

Soil heavy metal pollution due to long-term sewage irrigation is a serious environmental problem in many irrigation areas in northern China. Quickly identifying its pollution status is an important basis for remediation. Visible-near-infrared reflectance spectroscopy (VNIRS) provides a useful tool.

APPLICATION OF NEAR INFRARED SPECTROSCOPY AND EXPLORATORY DATA ANALYSIS FOR THE IDENTIFICATION OF WOODS IN THE FURNITURE INDUSTRY

Directory of Open Access Journals (Sweden)

Lucas Ferreira Bastos

2012-07-01

Full Text Available The paper aimed to investigate the application of infrared spectroscopy and exploratory data analysis to distinguish the different types of natural woods, contributing to the control of the origin of the materials used in the furniture industry. The near infrared spectroscopy (NIR was used for the characterization of 44 samples of 19 different types of wood, and the principal component analysis (PCA to discriminate. The proposed methodology was efficient in the separation of some samples, but further studies should be performed for the diffusion of this methodology in the routine of the furniture industry.

Quantifying low amorphous or crystalline amounts of alpha-lactose-monohydrate using X-ray powder diffraction, near-infrared spectroscopy, and differential scanning calorimetry.

Science.gov (United States)

Fix, I; Steffens, K J

2004-05-01

Efficient and accurate quantification of low amorphous and crystalline contents within pharmaceutical materials still remains a challenging task in the pharmaceutical industry. Since X-ray powder diffraction (XRPD) equipment has improved in recent years, our aim was 1) to investigate the possibility of substantially lowering the detection limits of amorphous or crystalline material to about 1% or 0.5% w/w respectively by applying conventional Bragg Brentano optics, combined with a fast and simple evaluation technique; 2) to perform these measurements within a short time to make it suitable for routine analysis; and 3) to subject the same data sets to a partial least squares regression (PLSR) in order to investigate whether it is possible to improve accuracy and precision compared to the standard integration method. Near-infrared spectroscopy (NIRS) and differential scanning calorimetry (DSC) were chosen as reference method. As model substance, alpha lactose monohydrate was chosen to create calibration curves based on predetermined mixtures of highly crystalline and amorphous substance. In contrast to DSC, XRPD and NIRS revealed an excellent linearity, precision, and accuracy with the percent of crystalline amount and a detectability down to about 0.5% w/w. Chemometric evaluation (partial least squares regression) applied to the XRPD data further improved the quality of our calibration.

Fourier Transform Infrared Spectroscopy (FTIR) as a Tool for the Identification and Differentiation of Pathogenic Bacteria.

Science.gov (United States)

Zarnowiec, Paulina; Lechowicz, Łukasz; Czerwonka, Grzegorz; Kaca, Wiesław

2015-01-01

Methods of human bacterial pathogen identification need to be fast, reliable, inexpensive, and time efficient. These requirements may be met by vibrational spectroscopic techniques. The method that is most often used for bacterial detection and identification is Fourier transform infrared spectroscopy (FTIR). It enables biochemical scans of whole bacterial cells or parts thereof at infrared frequencies (4,000-600 cm(-1)). The recorded spectra must be subsequently transformed in order to minimize data variability and to amplify the chemically-based spectral differences in order to facilitate spectra interpretation and analysis. In the next step, the transformed spectra are analyzed by data reduction tools, regression techniques, and classification methods. Chemometric analysis of FTIR spectra is a basic technique for discriminating between bacteria at the genus, species, and clonal levels. Examples of bacterial pathogen identification and methods of differentiation up to the clonal level, based on infrared spectroscopy, are presented below.

Fourier transform near-infrared spectroscopy application for sea salt quality evaluation.

Science.gov (United States)

Galvis-Sánchez, Andrea C; Lopes, João Almeida; Delgadillo, Ivonne; Rangel, António O S S

2011-10-26

Near-infrared (NIR) spectroscopy in diffuse reflectance mode was explored with the objective of discriminating sea salts according to their quality type (traditional salt vs "flower of salt") and geographical origin (Atlantic vs Mediterranean). Sea salts were also analyzed in terms of Ca(2+), Mg(2+), K(+), alkalinity, and sulfate concentrations to support spectroscopic results. High concentrations of Mg(2+) and K(+) characterized Atlantic samples, while a high Ca(2+) content was observed in traditional sea salts. A partial least-squares discriminant analysis model considering the 8500-7500 cm(-1) region permitted the discrimination of salts by quality types. The regions 4650-4350 and 5900-5500 cm(-1) allowed salts classification according to their geographical origin. It was possible to classify correctly 85.3 and 94.8% of the analyzed samples according to the salt type and to the geographical origin, respectively. These results demonstrated that NIR spectroscopy is a suitable and very efficient tool for sea salt quality evaluation.

Capturing Pain in the Cortex during General Anesthesia: Near Infrared Spectroscopy Measures in Patients Undergoing Catheter Ablation of Arrhythmias.

Directory of Open Access Journals (Sweden)

Barry D Kussman

Full Text Available The predictability of pain makes surgery an ideal model for the study of pain and the development of strategies for analgesia and reduction of perioperative pain. As functional near-infrared spectroscopy reproduces the known functional magnetic resonance imaging activations in response to a painful stimulus, we evaluated the feasibility of functional near-infrared spectroscopy to measure cortical responses to noxious stimulation during general anesthesia. A multichannel continuous wave near-infrared imager was used to measure somatosensory and frontal cortical activation in patients undergoing catheter ablation of arrhythmias under general anesthesia. Anesthetic technique was standardized and intraoperative NIRS signals recorded continuously with markers placed in the data set for the timing and duration of each cardiac ablation event. Frontal cortical signals only were suitable for analysis in five of eight patients studied (mean age 14 ± 1 years, weight 66.7 ± 17.6 kg, 2 males. Thirty ablative lesions were recorded for the five patients. Radiofrequency or cryoablation was temporally associated with a hemodynamic response function in the frontal cortex characterized by a significant decrease in oxyhemoglobin concentration (paired t-test, p<0.05 with the nadir occurring in the period 4 to 6 seconds after application of the ablative lesion. Cortical signals produced by catheter ablation of arrhythmias in patients under general anesthesia mirrored those seen with noxious stimulation in awake, healthy volunteers, during sedation for colonoscopy, and functional Magnetic Resonance Imaging activations in response to pain. This study demonstrates the feasibility and potential utility of functional near-infrared spectroscopy as an objective measure of cortical activation under general anesthesia.

Comparison between proton transfer reaction mass spectrometry and near infrared spectroscopy for the authentication of Brazilian coffee

NARCIS (Netherlands)

Monteiro, Pablo Inocêncio; Santos, Jânio Sousa; Alvarenga Brizola, Vitor Rafael; Pasini Deolindo, Carolina Turnes; Koot, Alex; Boerrigter-Eenling, Rita; Ruth, van Saskia; Georgouli, Konstantia; Koidis, Anastasios; Granato, Daniel

2018-01-01

In this study, proton-transfer reaction mass spectrometry (PTR-MS) and near-infrared spectroscopy (NIRS) were compared for the authentication of geographical and farming system origins of Brazilian coffees. For this purpose, n = 19 organic (ORG) and n = 26 conventional (CONV) coffees from

A rapid quantification method for the screening indicator for β-thalassemia with near-infrared spectroscopy

Science.gov (United States)

Chen, Jiemei; Peng, Lijun; Han, Yun; Yao, Lijun; Zhang, Jing; Pan, Tao

2018-03-01

Near-infrared (NIR) spectroscopy combined with chemometrics was applied to rapidly analyse haemoglobin A2 (HbA2) for β-thalassemia screening in human haemolysate samples. The relative content indicator HbA2 was indirectly quantified by simultaneous analysis of two absolute content indicators (Hb and Hb • HbA2). According to the comprehensive prediction effect of the multiple partitioning of calibration and prediction sets, the parameters were optimized to achieve modelling stability, and the preferred models were validated using the samples not involved in modelling. Savitzky-Golay smoothing was firstly used for the spectral pretreatment. The absorbance optimization partial least squares (AO-PLS) was used to eliminate high-absorption wave-bands appropriately. The equidistant combination PLS (EC-PLS) was further used to optimize wavelength models. The selected optimal models were I = 856 nm, N = 16, G = 1 and F = 6 for Hb and I = 988 nm, N = 12, G = 2 and F = 5 for Hb • HbA2. Through independent validation, the root-mean-square errors and correlation coefficients for prediction (RMSEP, RP) were 3.50 g L- 1 and 0.977 for Hb and 0.38 g L- 1 and 0.917 for Hb • HbA2, respectively. The predicted values of relative percentage HbA2 were further calculated, and the calculated RMSEP and RP were 0.31% and 0.965, respectively. The sensitivity and specificity for β-thalassemia both reached 100%. Therefore, the prediction of HbA2 achieved high accuracy for distinguishing β-thalassemia. The local optimal models for single parameter and the optimal equivalent model sets were proposed, providing more models to match possible constraints in practical applications. The NIR analysis method for the screening indicator of β-thalassemia was successfully established. The proposed method was rapid, simple and promising for thalassemia screening in a large population.

Near infrared spectroscopy based brain-computer interface

Science.gov (United States)

Ranganatha, Sitaram; Hoshi, Yoko; Guan, Cuntai

2005-04-01

A brain-computer interface (BCI) provides users with an alternative output channel other than the normal output path of the brain. BCI is being given much attention recently as an alternate mode of communication and control for the disabled, such as patients suffering from Amyotrophic Lateral Sclerosis (ALS) or "locked-in". BCI may also find applications in military, education and entertainment. Most of the existing BCI systems which rely on the brain's electrical activity use scalp EEG signals. The scalp EEG is an inherently noisy and non-linear signal. The signal is detrimentally affected by various artifacts such as the EOG, EMG, ECG and so forth. EEG is cumbersome to use in practice, because of the need for applying conductive gel, and the need for the subject to be immobile. There is an urgent need for a more accessible interface that uses a more direct measure of cognitive function to control an output device. The optical response of Near Infrared Spectroscopy (NIRS) denoting brain activation can be used as an alternative to electrical signals, with the intention of developing a more practical and user-friendly BCI. In this paper, a new method of brain-computer interface (BCI) based on NIRS is proposed. Preliminary results of our experiments towards developing this system are reported.

A prototype stationary Fourier transform spectrometer for near-infrared absorption spectroscopy.

Science.gov (United States)

Li, Jinyang; Lu, Dan-feng; Qi, Zhi-mei

2015-09-01

A prototype stationary Fourier transform spectrometer (FTS) was constructed with a fiber-coupled lithium niobate (LiNbO3) waveguide Mach-Zehnder interferometer (MZI) for the purpose of rapid on-site spectroscopy of biological and chemical measurands. The MZI contains push-pull electrodes for electro-optic modulation, and its interferogram as a plot of intensity against voltage was obtained by scanning the modulating voltage from -60 to +60 V in 50 ms. The power spectrum of input signal was retrieved by Fourier transform processing of the interferogram combined with the wavelength dispersion of half-wave voltage determined for the MZI used. The prototype FTS operates in the single-mode wavelength range from 1200 to 1700 nm and allows for reproducible spectroscopy. A linear concentration dependence of the absorbance at λmax = 1451 nm for water in ethanolic solution was obtained using the prototype FTS. The near-infrared spectroscopy of solid samples was also implemented, and the different spectra obtained with different materials evidenced the chemical recognition capability of the prototype FTS. To make this prototype FTS practically applicable, work on improving its spectral resolution by increasing the maximum optical path length difference is in progress.

Near-infrared spectroscopy can reveal increases in brain activity related to animal-assisted therapy

OpenAIRE

Morita, Yuka; Ebara, Fumio; Morita, Yoshimitsu; Horikawa, Etsuo

2017-01-01

[Purpose] Previous studies have indicated that animal-assisted therapy can promote recovery of psychological, social, and physiological function in mental disorders. This study was designed as a pilot evaluation of the use of near-infrared spectroscopy to objectively identify changes in brain activity that could mediate the effect of animal-assisted therapy. [Subjects and Methods] The participants were 20 healthy students (10 males and 10 females; age 19?21 years) of the Faculty of Agricultur...

[Current progress in food geographical origin traceability by near infrared spectroscopy technology].

Science.gov (United States)

Ma, Dong-Hong; Wang, Xi-Chang; Liu, Li-Ping; Liu, Yuan

2011-04-01

The geographical origin traceability of food, an important part of traceability system, is effective in protecting the quality and safety of foodstuffs. Near-infrared spectroscopy (NIR), which is a powerful technique for geographical origin traceability, has attracted extensive attention by scientists due to its speediness, non-pollution and simple operation. This paper presents the advantages and disadvantages of techniques that have been used for food geographical origin traceability. The basic principles of NIR and its applications in different food geographical origin traceability are presented too. Furthermore, problems in applications are analyzed and the future development trends are discussed.

A sampling approach for predicting the eating quality of apples using visible–near infrared spectroscopy

DEFF Research Database (Denmark)

Vega, Mabel V Martínez; Sharifzadeh, Sara; Wulfsohn, Dvoralai

2013-01-01

BACKGROUND Visible–near infrared spectroscopy remains a method of increasing interest as a fast alternative for the evaluation of fruit quality. The success of the method is assumed to be achieved by using large sets of samples to produce robust calibration models. In this study we used represent......BACKGROUND Visible–near infrared spectroscopy remains a method of increasing interest as a fast alternative for the evaluation of fruit quality. The success of the method is assumed to be achieved by using large sets of samples to produce robust calibration models. In this study we used...... representative samples of an early and a late season apple cultivar to evaluate model robustness (in terms of prediction ability and error) on the soluble solids content (SSC) and acidity prediction, in the wavelength range 400–1100 nm. RESULTS A total of 196 middle–early season and 219 late season apples (Malus...... training and test sets (‘smooth fractionator’, by date of measurement after harvest and random). Using the ‘smooth fractionator’ sampling method, fewer spectral bands (26) and elastic net resulted in improved performance for SSC models of ‘Aroma’ apples, with a coefficient of variation CVSSC = 13...

The application of Near Infrared Reflectance Spectroscopy (NIRS) for the quantitative analysis of hydrocortisone in primary materials

OpenAIRE

A. PITTAS; C. SERGIDES; K. NIKOLICH

2001-01-01

Near Infrared Reflectance Spectroscopy (NIRS), coupled with fiber optic probes, has been shown to be a quick and reliable analytical tool for quality assurance and quality control in the pharmaceutical industry, both for verifications of raw materials and quantification of the active ingredients in final products. In this paper, a typical pharmaceutical product, hydrocortisone sodium succinate, is used as an example for the application of NIR spectroscopy for quality control. In order to deve...

Characterizing process effects on pharmaceutical solid forms using near-infrared spectroscopy and infrared imaging.

Science.gov (United States)

Roggo, Y; Jent, N; Edmond, A; Chalus, P; Ulmschneider, M

2005-09-01

Near-infrared spectroscopy (NIRS) has become a widely used analytical technique in the pharmaceutical industry, serving for example to determine the active substance or water content of tablets. Its great advantage lies in the minimal sample preparation required and speed of measurement. In a study designed to detect the effects of process on tablet dissolution, we describe the application of NIRS to the detection and identification of changes in uncoated and coated tablets in response to pilot-scale changes in process parameters during melt granulation, compression, and coating. Beginning with a qualitative comparison between pharmaceutical batches, we show that NIRS and principal component analysis can separate batches produced with different melt granulation parameters and differentiate between cores compressed with different compaction forces. Complementary infrared imaging can also explain the difference in dissolution properties between samples produced with different melt granulation parameters. NIRS is sensitive to changes in coating formulation, the quality of a coating excipient (hydroxypropyl methylcellulose), and coating time. In a concluding quantitative analysis, we demonstrate the feasibility of NIRS in a manufacturing context for predicting coating time and detecting production cores failing to meet dissolution test specifications.

Investigation of Filtration Membranes from the Dairy Protein Industry for Residual Fouling Using Infrared Spectroscopy and Chemometrics

DEFF Research Database (Denmark)

Jensen, Jannie Krog

the reversible fouling can be removed/cleaned. The aim of this thesis is to investigate the residual fouling that is deposited on ultrafiltration and microfiltration membranes after usage. The membrane surfaces are investigated using infrared spectroscopy with an attenuated reflectance sampling unit...... and this is thesis work highlights the strengths and weaknesses of using infrared spectroscopy to investigate residual fouling on membranes and in particular the challenges with the infrared penetration depth when layering in the samples occurs. Real size production membrane cartridges at different stages of use...... microfiltration membrane cartridges were investigated with Attenuated- Total-Reflection Fourier-Transform-Infrared (ATR FT-IR) to map the residual fouling on both types of cartridges. The height of the characteristic amide peaks from proteins were used to determine the relative concentrations. The first...

Challenges in the noninvasive detection of body composition using near-infrared spectroscopy

Directory of Open Access Journals (Sweden)

Wenliang Chen

2014-11-01

Full Text Available Noninvasive detection of body composition plays a significant role in the improvement of life quality and reduction in complications of the patients, and the near-infrared (NIR spectroscopy, with the advantages of painlessness and convenience, is considered as the most promising tool for the online noninvasive monitoring of body composition. However, quite different from other fields of online detection using NIR spectroscopy, such as food safety and environment monitoring, noninvasive detection of body composition demands higher precision of the instruments as well as more rigorousness of measurement conditions. Therefore, new challenges emerge when NIR spectroscopy is applied to the noninvasive detection of body composition, which, in this paper, are first concluded from the aspects of measurement methods, measurement conditions, instrument precision, multi-component influence, individual difference and novel weak-signal extraction method based on our previous research in the cutting-edge field of NIR noninvasive blood glucose detection. Moreover, novel ideas and approaches of our group to solve these problems are introduced, which may provide evidence for the future development of noninvasive blood glucose detection, and further contribute to the noninvasive detection of other body compositions using NIR spectroscopy.

Authenticity assessment of banknotes using portable near infrared spectrometer and chemometrics.

Science.gov (United States)

da Silva Oliveira, Vanessa; Honorato, Ricardo Saldanha; Honorato, Fernanda Araújo; Pereira, Claudete Fernandes

2018-05-01

Spectra recorded using a portable near infrared (NIR) spectrometer, Soft Independent Modeling of Class Analogy (SIMCA) and Linear Discriminant Analysis (LDA) associated to Successive Projections Algorithm (SPA) models were applied to identify counterfeit and authentic Brazilian Real (R$20, R$50 and R$100) banknotes, enabling a simple field analysis. NIR spectra (950-1650nm) were recorded from seven different areas of the banknotes (two with fluorescent ink, one over watermark, three with intaglio printing process and one over the serial numbers with typography printing). SIMCA and SPA-LDA models were built using 1st derivative preprocessed spectral data from one of the intaglio areas. For the SIMCA models, all authentic (300) banknotes were correctly classified and the counterfeits (227) were not classified. For the two classes SPA-LDA models (authentic and counterfeit currencies), all the test samples were correctly classified into their respective class. The number of selected variables by SPA varied from two to nineteen for R$20, R$50 and R$100 currencies. These results show that the use of the portable near-infrared with SIMCA or SPA-LDA models can be a completely effective, fast, and non-destructive way to identify authenticity of banknotes as well as permitting field analysis. Copyright © 2018 Elsevier B.V. All rights reserved.

Evaluating RNAlater® as a preservative for using near-infrared spectroscopy to predict Anopheles gambiae age and species

Science.gov (United States)

Mosquito age and species identification is a crucial determinant of the efficacy of vector control programs. Near-infrared spectroscopy (NIRS) has previously been applied successfully to rapidly, non-destructively, and simultaneously determine the age and species of freshly anesthetized African mala...

Assessment of hyaline cartilage matrix composition using near infrared spectroscopy.

Science.gov (United States)

Palukuru, Uday P; McGoverin, Cushla M; Pleshko, Nancy

2014-09-01

Changes in the composition of the extracellular matrix (ECM) are characteristic of injury or disease in cartilage tissue. Various imaging modalities and biochemical techniques have been used to assess the changes in cartilage tissue but lack adequate sensitivity, or in the case of biochemical techniques, result in destruction of the sample. Fourier transform near infrared (FT-NIR) spectroscopy has shown promise for the study of cartilage composition. In the current study NIR spectroscopy was used to identify the contributions of individual components of cartilage in the NIR spectra by assessment of the major cartilage components, collagen and chondroitin sulfate, in pure component mixtures. The NIR spectra were obtained using homogenous pellets made by dilution with potassium bromide. A partial least squares (PLS) model was calculated to predict composition in bovine cartilage samples. Characteristic absorbance peaks between 4000 and 5000 cm(-1) could be attributed to components of cartilage, i.e. collagen and chondroitin sulfate. Prediction of the amount of collagen and chondroitin sulfate in tissues was possible within 8% (w/dw) of values obtained by gold standard biochemical assessment. These results support the use of NIR spectroscopy for in vitro and in vivo applications to assess matrix composition of cartilage tissues, especially when tissue destruction should be avoided. Copyright © 2014. Published by Elsevier B.V.

Study on Fracture Healing with Small-Splint-Fixation Therapy by Near-Infrared Raman Spectroscopy

OpenAIRE

Hao Huang; Shangyuan Feng; Weiwei Chen; Yun Yu; Duo Lin; Rong Chen

2013-01-01

In this study, near-infrared (NIR) Raman spectroscopy was explored to assess the incorporation of calcium hydroxyapatite (CHA ~960 cm−1) and other biochemical substances during the recovery of rabbits with complete radial fractures treated with or without small splints. 24 rabbits were randomy divided into two groups, one treated with small-splint-fixation therapy and the other without any intervention. The rabbits were sacrificed at 7, 15, 23, and 30 days after surgery, and the surface layer...

Application of Fourier transform infrared spectroscopy and chemometrics for differentiation of Salmonella enterica serovar Enteritidis phage types.

Science.gov (United States)

Preisner, Ornella; Guiomar, Raquel; Machado, Jorge; Menezes, José Cardoso; Lopes, João Almeida

2010-06-01

Fourier transform infrared (FT-IR) spectroscopy and chemometric techniques were used to discriminate five closely related Salmonella enterica serotype Enteritidis phage types, phage type 1 (PT1), PT1b, PT4b, PT6, and PT6a. Intact cells and outer membrane protein (OMP) extracts from bacterial cell membranes were subjected to FT-IR analysis in transmittance mode. Spectra were collected over a wavenumber range from 4,000 to 600 cm(-1). Partial least-squares discriminant analysis (PLS-DA) was used to develop calibration models based on preprocessed FT-IR spectra. The analysis based on OMP extracts provided greater separation between the Salmonella Enteritidis PT1-PT1b, PT4b, and PT6-PT6a groups than the intact cell analysis. When these three phage type groups were considered, the method based on OMP extract FT-IR spectra was 100% accurate. Moreover, complementary local models that considered only the PT1-PT1b and PT6-PT6a groups were developed, and the level of discrimination increased. PT1 and PT1b isolates were differentiated successfully with the local model using the entire OMP extract spectrum (98.3% correct predictions), whereas the accuracy of discrimination between PT6 and PT6a isolates was 86.0%. Isolates belonging to different phage types (PT19, PT20, and PT21) were used with the model to test its robustness. For the first time it was demonstrated that FT-IR analysis of OMP extracts can be used for construction of robust models that allow fast and accurate discrimination of different Salmonella Enteritidis phage types.

Shelf life study of egg albumin in pasteurized and non-pasteurized eggs using visible-near infrared spectroscopy

Science.gov (United States)

A twelve week shelf life study was conducted on the egg albumen from both pasteurized and non-pasteurized shell eggs using visible-near infrared spectroscopy. The goal of the study was to correlate the chemical changes detected in the spectra to the measurement of Haugh units (measure of interior eg...

Quantifying ternary mixtures of different solid-state forms of indomethacin by Raman and near-infrared spectroscopy

DEFF Research Database (Denmark)

Heinz, Andrea; Savolainen, Marja; Rades, Thomas

2007-01-01

by mean centering proved to be the best approaches to pre-process the data. With four partial least squares factors, root mean square errors of prediction ranging from 5.3% to 6.5% for Raman spectroscopy and 4.0% to 5.9% for near-infrared spectroscopy were calculated. In addition, the effects of potential...... indomethacin. Partial least squares regression was employed to create quantitative models. To improve the model performance various pre-treatment algorithms and scaling methods were applied to the spectral data and different spectral regions were tested. Standard normal variate transformation and scaling...

Quantitative determination of the human breast milk macronutrients by near-infrared Raman spectroscopy

Science.gov (United States)

Motta, Edlene d. C. M.; Zângaro, Renato A.; Silveira, Landulfo, Jr.

2012-03-01

This work proposes the evaluation of the macronutrient constitution of human breast milk based on the spectral information provided by near-infrared Raman spectroscopy. Human breast milk (5 mL) from a subject was collected during the first two weeks of breastfeeding and stocked in -20°C freezer. Raman spectra were measured using a Raman spectrometer (830 nm excitation) coupled to a fiber based Raman probe. Spectra of human milk were dominated by bands of proteins, lipids and carbohydrates in the 600-1800 cm-1 spectral region. Raman spectroscopy revealed differences in the biochemical constitution of human milk depending on the time of breastfeeding startup. This technique could be employed to develop a classification routine for the milk in Human Milk Banking (HMB) depending on the nutritional facts.

Broad-band time-resolved near infrared spectroscopy in the TJ-II stellarator

Energy Technology Data Exchange (ETDEWEB)

Rodriguez, M.C.; Pastor, I.; Cal, E. de la; McCarthy, K.J. [Laboratorio Nacional de Fusion, CIEMAT, Madrid (Spain); Diaz, D. [Universidad Autonoma de Madrid, Dept Quimica Fisica Aplicada, Madrid (Spain)

2014-11-15

First experimental results on broad-band, time-resolved Near Infrared (NIR;here loosely defined as covering from 750 to 1650 nm) passive spectroscopy using a high sensitivity InGaAs detector are reported for the TJ-II Stellarator. Experimental set-up is described together with its main characteristics, the most remarkable ones being its enhanced NIR response, broadband spectrum acquisition in a single shot, and time-resolved measurements with up to 1.8 kHz spectral rate. Prospects for future work and more extended physics studies in this newly open spectral region in TJ-II are discussed. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Assessing Risk of Fumonisin Contamination in Maize Using Near-Infrared Spectroscopy

Directory of Open Access Journals (Sweden)

Cecile Levasseur-Garcia

2015-01-01

Full Text Available Fumonisins are major mycotoxins found worldwide in maize and maize products. Because of their toxicity for both human and animals, European Union regulations were created to fix the maximal fumonisin B1 and B2 content allowed in foods and feeds. Unfortunately, directly measuring these mycotoxins by current analytical techniques is tedious and expensive and most measurement methods do not lend themselves to online control. Alternative approaches to chemical analysis have been developed and involve models that allow the mycotoxin contamination to be predicted based on environmental conditions and analysis by near-infrared (NIR spectroscopy. In the present work, we use NIR spectroscopy to determine the fumonisin and fungal contents of 117 samples of maize. The determination coefficient between fumonisin and fungal-biomass content was 0.44. We establish herein a threshold for the number of CFUs for fungal biomass beyond which the fumonisin content is likely to exceed the European regulatory level of 4000 μg/kg. In addition, we determine the fungal content by using a NIR-spectroscopy model that allows us to sort samples of maize. Upon calibration, the percentage of well-classified samples was 96%, which compares favorably to the 82% obtained by independent verification.

A rapid identification of four medicinal chrysanthemum varieties with near infrared spectroscopy.

Science.gov (United States)

Han, Bangxing; Yan, Hui; Chen, Cunwu; Yao, Houjun; Dai, Jun; Chen, Naifu

2014-07-01

For genuine medicinal material in Chinese herbs; the efficient, rapid, and precise identification is the focus and difficulty in the filed studying Chinese herbal medicines. Chrysanthemum morifolium as herbs has a long planting history in China, culturing high quality ones and different varieties. Different chrysanthemum varieties differ in quality, chemical composition, functions, and application. Therefore, chrysanthemum varieties in the market demands precise identification to provide reference for reasonable and correct application as genuine medicinal material. A total of 244 batches of chrysanthemum samples were randomly divided into calibration set (160 batches) and prediction set (84 batches). The near infrared diffuses reflectance spectra of chrysanthemum varieties were preprocessed by first order derivative (D1) and autoscaling and was built model with partial least squares (PLS). In this study of four chrysanthemum varieties identification, the accuracy rates in calibration sets of Boju, Chuju, Hangju, and Gongju are respectively 100, 100, 98.65, and 96.67%; while the accuracy rates in prediction sets are 100% except for 99.1% of Hangju. The research results demonstrate that the qualitative analysis can be conducted by machine learning combined with near infrared spectroscopy (NIR), which provides a new method for rapid and noninvasive identification of chrysanthemum varieties.

Quantitative determination and classification of energy drinks using near-infrared spectroscopy.

Science.gov (United States)

Rácz, Anita; Héberger, Károly; Fodor, Marietta

2016-09-01

Almost a hundred commercially available energy drink samples from Hungary, Slovakia, and Greece were collected for the quantitative determination of their caffeine and sugar content with FT-NIR spectroscopy and high-performance liquid chromatography (HPLC). Calibration models were built with partial least-squares regression (PLSR). An HPLC-UV method was used to measure the reference values for caffeine content, while sugar contents were measured with the Schoorl method. Both the nominal sugar content (as indicated on the cans) and the measured sugar concentration were used as references. Although the Schoorl method has larger error and bias, appropriate models could be developed using both references. The validation of the models was based on sevenfold cross-validation and external validation. FT-NIR analysis is a good candidate to replace the HPLC-UV method, because it is much cheaper than any chromatographic method, while it is also more time-efficient. The combination of FT-NIR with multidimensional chemometric techniques like PLSR can be a good option for the detection of low caffeine concentrations in energy drinks. Moreover, three types of energy drinks that contain (i) taurine, (ii) arginine, and (iii) none of these two components were classified correctly using principal component analysis and linear discriminant analysis. Such classifications are important for the detection of adulterated samples and for quality control, as well. In this case, more than a hundred samples were used for the evaluation. The classification was validated with cross-validation and several randomization tests (X-scrambling). Graphical Abstract The way of energy drinks from cans to appropriate chemometric models.

ASTM clustering for improving coal analysis by near-infrared spectroscopy.

Science.gov (United States)

Andrés, J M; Bona, M T

2006-11-15

Multivariate analysis techniques have been applied to near-infrared (NIR) spectra coals to investigate the relationship between nine coal properties (moisture (%), ash (%), volatile matter (%), fixed carbon (%), heating value (kcal/kg), carbon (%), hydrogen (%), nitrogen (%) and sulphur (%)) and the corresponding predictor variables. In this work, a whole set of coal samples was grouped into six more homogeneous clusters following the ASTM reference method for classification prior to the application of calibration methods to each coal set. The results obtained showed a considerable improvement of the error determination compared with the calibration for the whole sample set. For some groups, the established calibrations approached the quality required by the ASTM/ISO norms for laboratory analysis. To predict property values for a new coal sample it is necessary the assignation of that sample to its respective group. Thus, the discrimination and classification ability of coal samples by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) in the NIR range was also studied by applying Soft Independent Modelling of Class Analogy (SIMCA) and Linear Discriminant Analysis (LDA) techniques. Modelling of the groups by SIMCA led to overlapping models that cannot discriminate for unique classification. On the other hand, the application of Linear Discriminant Analysis improved the classification of the samples but not enough to be satisfactory for every group considered.

Near-infrared spectroscopy can detect differences in vascular responsiveness to a hyperglycaemic challenge in individuals with obesity compared to normal-weight individuals.

Science.gov (United States)

Soares, Rogério Nogueira; Reimer, Raylene A; Alenezi, Zaid; Doyle-Baker, Patricia K; Murias, Juan Manuel

2018-01-01

To examine whether the near-infrared spectroscopy combined with vascular occlusion test technique could detect differences in vascular responsiveness during hyperglycaemia between normal-weight individuals and individuals with obesity. A total of 16 normal-weight individuals (body mass index, 21.3 ± 1.7 kg/m 2 ) and 13 individuals with obesity (body mass index, 34.4 ± 2.0 kg/m 2 ) were submitted to five vascular occlusion tests (Pre, 30, 60, 90 and 120 min after glucose challenge). Vascular responsiveness was determined by the Slope 2 (Slope 2 StO 2 ) and the area under the curve (StO 2AUC ) of oxygen saturation derived from near-infrared spectroscopy-vascular occlusion test. The Slope 2 StO 2 increased from 1.07 ± 0.16%/s (Pre) to 1.53 ± 0.21%/s at 90 min ( p obese it increased from 0.71 ± 0.09%/s (Pre) to 0.92 ± 0.14%/s at 60 min ( p obesity. Near-infrared spectroscopy-vascular occlusion test technique was capable of detecting differences in vascular responsiveness during hyperglycaemia between normal-weight individuals and individuals with obesity.

Advanced multivariate data evaluation for Fourier transform infrared spectroscopy

International Nuclear Information System (INIS)

Diewok, J.

2002-12-01

The objective of the presented dissertation was the evaluation, application and further development of advanced multivariate data evaluation methods for qualitative and quantitative Fourier transform infrared (FT-IR) measurements, especially of aqueous samples. The focus was set on 'evolving systems'; i.e. chemical systems that change gradually with a master variable, such as pH, reaction time, elution time, etc. and that are increasingly encountered in analytical chemistry. FT-IR measurements on such systems yield 2-way and 3-way data sets, i.e. data matrices and cubes. The chemometric methods used were soft-modeling techniques, like multivariate curve resolution - alternating least squares (MCR-ALS) or principal component analysis (PCA), hard modeling of equilibrium systems and two-dimensional correlation spectroscopy (2D-CoS). The research results are presented in six publications and comprise: A new combination of FT-IR flow titrations and second-order calibration by MCR-ALS for the quantitative analysis of mixture samples of organic acids and sugars. A novel combination of MCR-ALS with a hard-modeled equilibrium constraint for second-order quantitation in pH-modulated samples where analytes and interferences show very similar acid-base behavior. A detailed study in which MCR-ALS and 2D-CoS are directly compared for the first time. From the analysis of simulated and experimental acid-base equilibrium systems, the performance and interpretability of the two methods is evaluated. Investigation of the binding process of vancomycin, an important antibiotic, to a cell wall analogue tripeptide by time-resolved FT-IR spectroscopy and detailed chemometric evaluation. Determination of red wine constituents by liquid chromatography with FT-IR detection and MCR-ALS for resolution of overlapped peaks. Classification of red wine cultivars from FT-IR spectroscopy of phenolic wine extracts with hierarchical clustering and soft independent modeling of class analogy (SIMCA

Classification of java tea ( Orthosiphon aristatus ) quality using FTIR spectroscopy and chemometrics

International Nuclear Information System (INIS)

Heryanto, R; Pradono, D I; Darusman, L K; Marlina, E

2017-01-01

Java tea ( Orthosiphon aristatus ) is a plant that widely used as a medicinal herb in Indonesia. Its quality is varying depends on various factors, such as cultivating area, climate and harvesting time. This study aimed to investigate the effectiveness of FTIR spectroscopy coupled with chemometrics for discriminating the quality of java tea from different cultivating area. FTIR spectra of ethanolic extracts were collected from five different regions of origin of java tea. Prior to chemometrics evaluation, spectra were pre-processed by using baselining, normalization and derivatization. Principal Components Analysis (PCA) was used to reduce the spectra to two PCs, which explained 73% of the total variance. Score plot of two PCs showed groupings of the samples according to their regions of origin. Furthermore, Partial Least Squares-Discriminant Analysis (PLSDA) was applied to the pre-processed data. The approach produced an external validation success rate of 100%. This study shows that FTIR analysis and chemometrics has discriminatory power to classify java tea based on its quality related to the region of origin. (paper)

The application of chemometrics on Infrared and Raman spectra as a tool for the forensic analysis of paints.

Science.gov (United States)

Muehlethaler, Cyril; Massonnet, Genevieve; Esseiva, Pierre

2011-06-15

The aim of this work is to evaluate the capabilities and limitations of chemometric methods and other mathematical treatments applied on spectroscopic data and more specifically on paint samples. The uniqueness of the spectroscopic data comes from the fact that they are multivariate - a few thousands variables - and highly correlated. Statistical methods are used to study and discriminate samples. A collection of 34 red paint samples was measured by Infrared and Raman spectroscopy. Data pretreatment and variable selection demonstrated that the use of Standard Normal Variate (SNV), together with removal of the noisy variables by a selection of the wavelengths from 650 to 1830 cm(-1) and 2730-3600 cm(-1), provided the optimal results for infrared analysis. Principal component analysis (PCA) and hierarchical clusters analysis (HCA) were then used as exploratory techniques to provide evidence of structure in the data, cluster, or detect outliers. With the FTIR spectra, the Principal Components (PCs) correspond to binder types and the presence/absence of calcium carbonate. 83% of the total variance is explained by the four first PCs. As for the Raman spectra, we observe six different clusters corresponding to the different pigment compositions when plotting the first two PCs, which account for 37% and 20% respectively of the total variance. In conclusion, the use of chemometrics for the forensic analysis of paints provides a valuable tool for objective decision-making, a reduction of the possible classification errors, and a better efficiency, having robust results with time saving data treatments. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Near Infrared Spectroscopy Detection and Quantification of Herbal Medicines Adulterated with Sibutramine.

Science.gov (United States)

da Silva, Neirivaldo Cavalcante; Honorato, Ricardo Saldanha; Pimentel, Maria Fernanda; Garrigues, Salvador; Cervera, Maria Luisa; de la Guardia, Miguel

2015-09-01

There is an increasing demand for herbal medicines in weight loss treatment. Some synthetic chemicals, such as sibutramine (SB), have been detected as adulterants in herbal formulations. In this study, two strategies using near infrared (NIR) spectroscopy have been developed to evaluate potential adulteration of herbal medicines with SB: a qualitative screening approach and a quantitative methodology based on multivariate calibration. Samples were composed by products commercialized as herbal medicines, as well as by laboratory adulterated samples. Spectra were obtained in the range of 14,000-4000 per cm. Using PLS-DA, a correct classification of 100% was achieved for the external validation set. In the quantitative approach, the root mean squares error of prediction (RMSEP), for both PLS and MLR models, was 0.2% w/w. The results prove the potential of NIR spectroscopy and multivariate calibration in quantifying sibutramine in adulterated herbal medicines samples. © 2015 American Academy of Forensic Sciences.

Application of the near-infrared spectroscopy in the pharmaceutical technology.

Science.gov (United States)

Jamrógiewicz, Marzena

2012-07-01

Near-infrared (NIR) spectroscopy is currently the fastest-growing and the most versatile analytical method not only in the pharmaceutical sciences but also in the industry. This review focuses on recent NIR applications in the pharmaceutical technology. This article covers monitoring, by NIR, of many manufacturing processes, such as granulation, mixing or drying, in order to determine the end-point of these processes. In this paper, apart from basic theoretical information concerning the NIR spectra, there are included determinations of the quality and quantity of pharmaceutical compounds. Some examples of measurements and control of physicochemical parameters of the final medicinal products, such as hardness, porosity, thickness size, compression strength, disintegration time and potential counterfeit are included. Biotechnology and plant drug analysis using NIR is also described. Moreover, some disadvantages of this method are stressed and future perspectives are anticipated. Copyright © 2012 Elsevier B.V. All rights reserved.

Quantitative near-infrared spectroscopy on patients with peripheral vascular disease

Science.gov (United States)

Franceschini, Maria-Angela; Fantini, Sergio; Palumbo, Renato; Pasqualini, Leonella; Vaudo, Gaetano; Franceschini, Edoardo; Gratton, Enrico; Palumbo, Barbara; Innocente, Salvatore; Mannarino, Elmo

1998-01-01

We have used near-infrared spectroscopy to measure the hemoglobin saturation at rest and during exercise on patients affected by peripheral vascular disease (PVD). The instrument used in our study is a frequency-domain tissue oximeter which employs intensity modulated (110 MHz) laser diodes. We examined 9 subjects, 3 of which were controls and 6 were patients affected by stage II PVD. The optical probe was located on the calf muscle of the subjects. The measurement protocol consisted of: (1) baseline (approximately 5 min); (2) stationary bicycle exercise (approximately 5 min); (3) recovery (approximately 15 min). The change in hemoglobin saturation during exercise ((Delta) Y) and the recovery time after exercise (trec) were significantly greater in the PVD patients ((Delta) Y equals -21 +/- 3%, trec equals 5.9 +/- 3.8 min) than in the control subjects ((Delta) Y equals 2 +/- 3%, trec equals 0.6 +/- 0.1 min).

Alternative method to trace sediment sources in a subtropical rural catchment of southern Brazil by using near-infrared spectroscopy

Science.gov (United States)

Tiecher, Tales; Caner, Laurent; Gomes Minella, Jean Paolo; Henrique Ciotti, Lucas; Antônio Bender, Marcos; dos Santos Rheinheimer, Danilo

2014-05-01

Conventional fingerprinting methods based on geochemical composition still require a time-consuming and critical preliminary sample preparation. Thus, fingerprinting characteristics that can be measured in a rapid and cheap way requiring a minimal sample preparation, such as spectroscopy methods, should be used. The present study aimed to evaluate the sediment sources contribution in a rural catchment by using conventional method based on geochemical composition and on an alternative method based on near-infrared spectroscopy. This study was carried out in a rural catchment with an area of 1,19 km2 located in southern Brazil. The sediment sources evaluated were crop fields (n=20), unpaved roads (n=10) and stream channels (n=10). Thirty suspended sediment samples were collected from eight significant storm runoff events between 2009 and 2011. Sources and sediment samples were dried at 50oC and sieved at 63 µm. The total concentration of Ag, As, B, Ba, Be, Ca, Cd, Co, Cr, Cu, Fe, K, La, Li, Mg, Mn, Mo, Na, Ni, P, Pb, Sb, Se, Sr, Ti, Tl, V and Zn were estimated by ICP-OES after microwave assisted digestion with concentrated HNO3 and HCl. Total organic carbon (TOC) was estimated by wet oxidation with K2Cr2O7 and H2SO4. The near-infrared spectra scan range was 4000 to 10000 cm-1 at a resolution of 2 cm-1, with 100 co added scans per spectrum. The steps used in the conventional method were: i) tracer selection based on Kruskal-Wallis test, ii) selection of the best set of tracers using discriminant analyses and finally iii) the use of a mixed linear model to calculate the sediment sources contribution. The steps used in the alternative method were i) principal component analyses to reduce the number of variables, ii) discriminant analyses to determine the tracer potential of the near-infrared spectroscopy, and finally iii) the use of past least square based on 48 mixtures of the sediment sources in various weight proportions to calculate the sediment sources

Development of a near-infrared spectroscopy instrument for applications in urology.

Science.gov (United States)

Macnab, Andrew J; Stothers, Lynn

2008-10-01

Near infrared spectroscopy (NIRS) is an established technology using photons of light in the near infrared spectrum to monitor changes in tissue of naturally occurring chromophores, including oxygenated and deoxygenated hemoglobin. Technology and methodology have been validated for measurement of a range of physiologic parameters. NIRS has been applied successfully in urology research; however current instruments are designed principally for brain and muscle study. To describe development of a NIRS instrument specifically designed for monitoring changes in chromophore concentration in the bladder detrusor in real time, to facilitate research to establish the role of this non-invasive technology in the evaluation of patients with voiding dysfunction The portable continuous wave NIRS instrument has a 3 laser diode light source (785, 808 and 830 nanometers), fiber optic cables for light transmission, a self adhesive patient interface patch with an emitter and sensor, and software to detect the difference between the light transmitted and received by the instrument. Software incorporated auto-attenuates the optical signals and converts raw optical data into chromophore concentrations displayed graphically. The prototype was designed, tested, and iteratively developed to achieve optimal suprapubic transcutaneous monitoring of the detrusor in human subjects during bladder filling and emptying. Evaluation with simultaneous invasive urodynamic measurement in men and women indicates good specificity and sensitivity of NIRS chromophore concentration changes by receiver operator curve analysis, and correlation between NIRS data and urodynamic pressures. Urological monitoring with this NIRS instrument is feasible and generates data of potential diagnostic value.

State of dissolved water in triglycerides as determined by Fourier transform infrared and near infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kurashige, J. (Ajinomoto Co. Inc., Tokyo (Japan)); Takaoka, K.; Takasago, M.; Taru, Y.; Kobayashi, K. (Musashi Institute of Technology, Tokyo (Japan))

1991-07-20

The states of dissolved water in triglycerides (TG) such as tristearin, triolein, trilinolein and trilinolenin were analyzed by Fourier transform infrared (FT-IR) and near infrared (FT-NIR) spectroscopy, and compared with those of water itself. In the case of water, its states were considered to be mainly polymer clusters larger than dimer ones at 20{degree}C, and mostly monomer or dimer clusters at 120{degree}C. In TG, the states varied widely from monomer to polymer clusters at 20{degree}C. The distribution ratios of the water clusters observed in TG depended on the kinds of fatty acids of TG, and the water state was noted to change due to the interaction between unsaturated bonds and dissolved water. Although the states of dissolved water in trilinolein were similar to those of original water at 20{degree}C, the ratio of monomer water decreased and polymer clusters bigger than those in original water increased with an increase in number of unsaturated bonds of TG. 9 refs., 6 figs., 3 tabs.

Near infrared spectroscopy in the study of polymorphic transformations

Energy Technology Data Exchange (ETDEWEB)

Blanco, Marcel [Department of Chemistry, Analytical Chemistry Unity, Faculty of Sciences, Autonomous University of Barcelona, E-08193 Bellaterra, Barcelona (Spain)]. E-mail: marcel.blanco@uab.es; Alcala, Manel [Department of Chemistry, Analytical Chemistry Unity, Faculty of Sciences, Autonomous University of Barcelona, E-08193 Bellaterra, Barcelona (Spain); Gonzalez, Josep M. [Laboratorios Menarini S.A., c/. Alfons XII, 587, E-08918 Badalona, Barcelona (Spain); Torras, Ester [Laboratorios Menarini S.A., c/. Alfons XII, 587, E-08918 Badalona, Barcelona (Spain)

2006-05-17

The potential of near infrared (NIR) spectroscopy for the characterization of polymorphs in the active principle of a commercial formulation prior to and after the manufacturing process was assessed. Polymorphism in active principles is extremely significant to the pharmaceutical industry. Polymorphic changes during the production of commercial pharmaceutical formulations can alter some properties of the resulting end-products. Multivariate curve resolution-alternating least squares (MCR-ALS) methodology was used to obtain the 'pure' NIR spectrum for the active principle without the need to pretreat samples. This methodology exposed the polymorphic transformation of Dexketoprofen Trometamol (DKP) in both laboratory and production samples obtained by wet granulation. No polymorphic transformation, however, was observed in samples obtained by direct compaction. These results were confirmed using by X-ray powder diffractometry (XRD) and differential scanning calorimetry (DSC) measurements. Pure crystalline polymorphs of DKP were available in the laboratory but amorphous form was not, nevertheless the developed methodology allows the identification of amorphous and crystal forms in spite of the lack of pure DKP.

New applications of near infrared spectroscopy in the food industry

Energy Technology Data Exchange (ETDEWEB)

Groenewald, C.A. (Peter Rassloff Instruments and Services, Norwood, South Africa)

The near infrared spectroscopic method of analysis was initially developed for rapid analyses of protein in wheat. A brief explanation of the theory and history of near infrared spectroscopic analysis will be given. Research was done on the application of near infrared spectroscopic (NIR) in the food industry. Especially exciting was the breakthrough achieved in applying NIR to determine the dry solid content of bread. Such application could revolutionise the baking industry. Results will also be presented of research done on the application of NIR techniques for the determination of protein and fat in bread based on dry matter; hardness in wheat; absorption and sedimentation in pasta products; and use in process control in snack products manufacture. The limitations that were found in the application of NIR analysis will also be covered. The developments in NIR technology may result in these methods becoming standard practice in many food laboratories.

New applications of near infrared spectroscopy in the food industry

International Nuclear Information System (INIS)

Groenewald, C.A.

1984-01-01

The near infrared spectroscopic method of analysis was initially developed for rapid analyses of protein in wheat. A brief explanation of the theory and history of near infrared spectroscopic analysis will be given. Research was done on the application of near infrared spectroscopic (NIR) in the food industry. Especially exciting was the breakthrough achieved in applying NIR to determine the dry solid content of bread. Such application could revolutionise the baking industry. Results will also be presented of research done on the application of NIR techniques for the determination of protein and fat in bread based on dry matter; hardness in wheat; absorption and sedimentation in pasta products; and use in process control in snack products manufacture. The limitations that were found in the application of NIR analysis will also be covered. The developments in NIR technology may result in these methods becoming standard practice in many food laboratories

Non-invasive in situ identification and band assignments of diazepam, flunitrazepam and methadone hydrochloride with FT-near-infrared spectroscopy.

Science.gov (United States)

Ali, Hassan Refat H

2011-03-20

Near-infrared spectroscopy (NIR) has evolved into an important rapid, direct and non-invasive technique in drugs analysis. In this study, the suitability of NIR spectroscopy to identify two benzodiazepine derivatives, diazepam and flunitrazepam, and a synthetic opiate, methadone hydrochloride, inside USP vials and probe the solid-state form of diazepam presents in tablets has been explored. The results show the potential of NIR spectroscopy for rapid, in situ and non-destructive identification of drugs. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

Photoleucine Survives Backbone Cleavage by Electron Transfer Dissociation. A Near-UV Photodissociation and Infrared Multiphoton Dissociation Action Spectroscopy Study

Czech Academy of Sciences Publication Activity Database

Shaffer, C. J.; Martens, J.; Marek, Aleš; Oomens, J.; Tureček, F.

2016-01-01

Roč. 27, č. 7 (2016), s. 1176-1185 ISSN 1044-0305 Institutional support: RVO:61388963 Keywords : peptide ions * electron transfer dissociation * photoleucine label * near-UV photodissociation * infrared multiphoton dissociation action spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.786, year: 2016

Multi-site and multi-depth near-infrared spectroscopy in a model of simulated (central) hypovolemia: Lower body negative pressure

NARCIS (Netherlands)

S.A. Bartels (Sebastiaan); R. Bezemer (Rick); F.J.W. Wallis de Vries (Floris); D.M.J. Milstein (Dan); A.A.P. Lima (Alexandre ); T.G.V. Cherpanath (Thomas); A.H. van den Meiracker (Anton); J. van Bommel (Jasper); M. Heger (Michal); J.M. Karemaker (John); C. Ince (Can)

2011-01-01

textabstractPurpose: To test the hypothesis that the sensitivity of near-infrared spectroscopy (NIRS) in reflecting the degree of (compensated) hypovolemia would be affected by the application site and probing depth. We simultaneously applied multi-site (thenar and forearm) and multi-depth (15-2.5

Quantification of betaglucans, lipid and protein contents in whole oat groats (Avena sativa L.) using near infrared reflectance spectroscopy

Science.gov (United States)

Whole oat has been described as an important healthy food for humans due to its beneficial nutritional components. Near infrared reflectance spectroscopy (NIRS) is a powerful, fast, accurate and non-destructive analytical tool that can be substituted for some traditional chemical analysis. A total o...

Cerebral oxygenation as measured by near-infrared spectroscopy in neonatal intensive care: correlation with arterial oxygenation.

Science.gov (United States)

Hunter, Carol Lu; Oei, Ju Lee; Lui, Kei; Schindler, Timothy

2017-07-01

To assess correlation between cerebral oxygenation (rScO 2 ), as measured by near-infrared spectroscopy (NIRS), and arterial oxygenation (PaO 2 ), as measured by arterial blood gases, in preterm neonates. Preterm neonates interpretation of NIRS values in neonatal intensive care, and further evaluation is needed to determine the applicability of NIRS to management of preterm infants. ©2017 Foundation Acta Paediatrica. Published by John Wiley & Sons Ltd.

Variable selection in near-infrared spectroscopy: Benchmarking of feature selection methods on biodiesel data

International Nuclear Information System (INIS)

Balabin, Roman M.; Smirnov, Sergey V.

2011-01-01

During the past several years, near-infrared (near-IR/NIR) spectroscopy has increasingly been adopted as an analytical tool in various fields from petroleum to biomedical sectors. The NIR spectrum (above 4000 cm -1 ) of a sample is typically measured by modern instruments at a few hundred of wavelengths. Recently, considerable effort has been directed towards developing procedures to identify variables (wavelengths) that contribute useful information. Variable selection (VS) or feature selection, also called frequency selection or wavelength selection, is a critical step in data analysis for vibrational spectroscopy (infrared, Raman, or NIRS). In this paper, we compare the performance of 16 different feature selection methods for the prediction of properties of biodiesel fuel, including density, viscosity, methanol content, and water concentration. The feature selection algorithms tested include stepwise multiple linear regression (MLR-step), interval partial least squares regression (iPLS), backward iPLS (BiPLS), forward iPLS (FiPLS), moving window partial least squares regression (MWPLS), (modified) changeable size moving window partial least squares (CSMWPLS/MCSMWPLSR), searching combination moving window partial least squares (SCMWPLS), successive projections algorithm (SPA), uninformative variable elimination (UVE, including UVE-SPA), simulated annealing (SA), back-propagation artificial neural networks (BP-ANN), Kohonen artificial neural network (K-ANN), and genetic algorithms (GAs, including GA-iPLS). Two linear techniques for calibration model building, namely multiple linear regression (MLR) and partial least squares regression/projection to latent structures (PLS/PLSR), are used for the evaluation of biofuel properties. A comparison with a non-linear calibration model, artificial neural networks (ANN-MLP), is also provided. Discussion of gasoline, ethanol-gasoline (bioethanol), and diesel fuel data is presented. The results of other spectroscopic

Triglyceride dependent differentiation of obesity in adipose tissues by FTIR spectroscopy coupled with chemometrics.

Science.gov (United States)

Kucuk Baloglu, Fatma; Baloglu, Onur; Heise, Sebastian; Brockmann, Gudrun; Severcan, Feride

2017-10-01

The excess deposition of triglycerides in adipose tissue is the main reason of obesity and causes excess release of fatty acids to the circulatory system resulting in obesity and insulin resistance. Body mass index and waist circumference are not precise measure of obesity and obesity related metabolic diseases. Therefore, in the current study, it was aimed to propose triglyceride bands located at 1770-1720 cm -1 spectral region as a more sensitive obesity related biomarker using the diagnostic potential of Fourier Transform Infrared (FTIR) spectroscopy in subcutaneous (SCAT) and visceral (VAT) adipose tissues. The adipose tissue samples were obtained from 10 weeks old male control (DBA/2J) (n = 6) and four different obese BFMI mice lines (n = 6 per group). FTIR spectroscopy coupled with hierarchical cluster analysis (HCA) and principal component analysis (PCA) was applied to the spectra of triglyceride bands as a diagnostic tool in the discrimination of the samples. Successful discrimination of the obese, obesity related insulin resistant and control groups were achieved with high sensitivity and specificity. The results revealed the power of FTIR spectroscopy coupled with chemometric approaches in internal diagnosis of abdominal obesity based on the spectral differences in the triglyceride region that can be used as a spectral marker. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The application of near infrared spectroscopy in nutritional intervention studies

Directory of Open Access Journals (Sweden)

Philippa A Jackson

2013-08-01

Full Text Available Functional near infrared spectroscopy (NIRS is a non-invasive optical imaging technique used to monitor cerebral blood flow (CBF and by proxy neuronal activation. The use of NIRS in nutritional intervention studies is a relatively novel application of this technique, with only a small, but growing, number of trials published to date. These trials—in which the effects on CBF following administration of dietary components such as caffeine, polyphenols and omega-3 polyunsaturated fatty acids are assessed—have successfully demonstrated NIRS as a sensitive measure of change in haemodynamic response during cognitive tasks in both acute and chronic treatment intervention paradigms. The existent research in this area has been limited by the constraints of the technique itself however advancements in the measurement technology, paired with studies endeavouring increased sophistication in number and locations of channels over the head should render the use of NIRS in nutritional interventions particularly valuable in advancing our understanding of the effects of nutrients and dietary components on the brain.

WIRELESS DISTRIBUTED ACQUISITION SYSTEM FOR NEAR INFRARED SPECTROSCOPY – WDA-NIRS

Directory of Open Access Journals (Sweden)

J. SAFAIE

2013-07-01

Full Text Available The wireless distributed acquisition system for near infrared spectroscopy (WDA-NIRS is a portable, ultra-compact, continuous wave (CW NIRS system. Its main advantage is that it allows continuous synchronized multi-site hemodynamic monitoring. The WDA-NIRS system calculates online changes in hemoglobin concentration based on modified Beer–Lambert law and the tissue oxygenation index based on the spatial-resolved spectroscopy method. It consists of up to seven signal acquisition units, sufficiently small to be easily attached to any part of the body. These units are remotely synchronized by a PC base station for independent acquisition of NIRS signals. Each acquisition module can be freely adapted to individual requirements such as local skin properties and the microcirculation of interest, e.g., different muscles, brain, skin, etc. For this purpose, the light emitted by each LED can be individually, interactively or automatically adjusted to local needs. Furthermore, the user can freely create an emitter time-multiplexing protocol and choose the detector sensitivity most suitable to a particular situation. The potential diagnostic value of this advanced device is demonstrated by three typical applications.

Classification of structurally related commercial contrast media by near infrared spectroscopy.

Science.gov (United States)

Yip, Wai Lam; Soosainather, Tom Collin; Dyrstad, Knut; Sande, Sverre Arne

2014-03-01

Near infrared spectroscopy (NIRS) is a non-destructive measurement technique with broad application in pharmaceutical industry. Correct identification of pharmaceutical ingredients is an important task for quality control. Failure in this step can result in several adverse consequences, varied from economic loss to negative impact on patient safety. We have compared different methods in classification of a set of commercially available structurally related contrast media, Iodixanol (Visipaque(®)), Iohexol (Omnipaque(®)), Caldiamide Sodium and Gadodiamide (Omniscan(®)), by using NIR spectroscopy. The performance of classification models developed by soft independent modelling of class analogy (SIMCA), partial least squares discriminant analysis (PLS-DA) and Main and Interactions of Individual Principal Components Regression (MIPCR) were compared. Different variable selection methods were applied to optimize the classification models. Models developed by backward variable elimination partial least squares regression (BVE-PLS) and MIPCR were found to be most effective for classification of the set of contrast media. Below 1.5% of samples from the independent test set were not recognized by the BVE-PLS and MIPCR models, compared to up to 15% when models developed by other techniques were applied. Copyright © 2013 Elsevier B.V. All rights reserved.

Near infrared spectroscopy is suitable for the classification of hazelnuts according to Protected Designation of Origin.

Science.gov (United States)

Moscetti, Roberto; Radicetti, Emanuele; Monarca, Danilo; Cecchini, Massimo; Massantini, Riccardo

2015-10-01

This study investigates the possibility of using near infrared spectroscopy for the authentication of the 'Nocciola Romana' hazelnut (Corylus avellana L. cvs Tonda Gentile Romana and Nocchione) as a Protected Designation of Origin (PDO) hazelnut from central Italy. Algorithms for the selection of the optimal pretreatments were tested in combination with the following discriminant routines: k-nearest neighbour, soft independent modelling of class analogy, partial least squares discriminant analysis and support vector machine discriminant analysis. The best results were obtained using a support vector machine discriminant analysis routine. Thus, classification performance rates with specificities, sensitivities and accuracies as high as 96.0%, 95.0% and 95.5%, respectively, were achieved. Various pretreatments, such as standard normal variate, mean centring and a Savitzky-Golay filter with seven smoothing points, were used. The optimal wavelengths for classification were mainly correlated with lipids, although some contribution from minor constituents, such as proteins and carbohydrates, was also observed. Near infrared spectroscopy could classify hazelnut according to the PDO 'Nocciola Romana' designation. Thus, the experimentation lays the foundations for a rapid, online, authentication system for hazelnut. However, model robustness should be improved taking into account agro-pedo-climatic growing conditions. © 2014 Society of Chemical Industry.

Study of atmospheric air AC glow discharge using optical emission spectroscopy and near infrared diode laser cavity ringdown spectroscopy

Science.gov (United States)

Srivastava, Nimisha; Wang, Chuji; Dibble, Theodore S.

2008-11-01

AC glow discharges were generated in atmospheric pressure by applying high voltage AC in the range of 3500-15000 V to a pair of stainless steel electrodes separated by an air gap. The discharges were characterized by optical emission spectroscopy (OES) and continuous wave cavity ringdown spectroscopy (cw-CRDS). The electronic (Tex), vibrational (Tv), and rotational (Tr) temperatures were measured. Spectral stimulations of the emission spectra of several vibronic bands of the 2^nd positive system of N2, the 1^st negative system of N2^+, the (0,1,2,3-0) bands of NO (A-X), and the (0-0) band of OH (A-X), which were obtained under various plasma operating conditions, show that Tr, Tv, and Tex are in the ranges of 2000 - 3800, 3500 - 5000, and 6000 - 10500^ K, respectively. Emission spectra show that OH concentration increases while NO concentration decreases with an increase of electrode spacing. The absorption spectra of H2O and OH overtone in the near infrared (NIR) were measured by the cw-CRDS with a telecommunications diode laser at wavelength near 1515 nm.

Multifractals Properties on the Near Infrared Spectroscopy of Human Brain Hemodynamic

Directory of Open Access Journals (Sweden)

Truong Quang Dang Khoa

2012-01-01

Full Text Available Nonlinear physics presents us with a perplexing variety of complicated fractal objects and strange sets. Naturally one wishes to characterize the objects and describe the events occurring on them. Moreover, most time series found in “real-life” applications appear quite noisy. Therefore, at almost every point in time, they cannot be approximated either by the Taylor series or by the Fourier series of just a few terms. Many experimental time series have fractal features and display singular behavior, the so-called singularities. The multifractal spectrum quantifies the degree of fractals in the processes generating the time series. A novel definition is proposed called full-width Hölder exponents that indicate maximum expansion of multifractal spectrum. The obtained results have demonstrated the multifractal structure of near-infrared spectroscopy time series and the evidence for brain imagery activities.

Mid-infrared and near-infrared spectroscopy for rapid detection of Gardeniae Fructus by a liquid-liquid extraction process.

Science.gov (United States)

Tao, Lingyan; Lin, Zhonglin; Chen, Jiashan; Wu, Yongjiang; Liu, Xuesong

2017-10-25

Gardeniae Fructus is widely used in the pharmaceutical industry, and many studies have confirmed its medical and economic value. In this study, samples collected from different liquid-liquid extraction batches of Gardeniae Fructus were detected by mid-infrared (MIR) and near-infrared (NIR) spectroscopy. Seven analytes, neochlorogenic acid (5-CQA), cryptochlorogenic acid (4-CQA), chlorogenic acid (3-CQA), geniposidic acid (GEA), deacetyl-asperulosidic acid methyl ester (DAAME), genipin-gentiobioside (GGB), and gardenoside (GA), were chosen as quality property indexes of Gardeniae Fructus. The two kinds of spectra were each used to build models by single partial least squares (PLS). Additionally, both spectral data were combined and modeled by multiblock PLS. For single spectroscopy modeling results, NIR had a better prediction for high-concentration analytes (3-CQA, DAAME, GGB, and GA) whereas MIR performed better for low-concentration analytes (5-CQA, 4-CQA, and GEA). The multiblock methodology was found to be better compared to single spectroscopy models for all seven analytes. Specifically, the coefficients of determination (R 2 ) of the NIR, MIR, and multiblock PLS calibration models of all seven components were higher than 0.95. Relative standard errors of prediction (RSEP) were all less than 7%, except for models of GGB, which were 10.36%, 13.24%, and 8.15% for the NIR-PLS, MIR-PLS, and multiblock models, respectively. These results indicate that MIR and NIR spectrographic techniques could provide a new choice for quality control in industrial production of Gardeniae Fructus. Copyright © 2017 Elsevier B.V. All rights reserved.

Near-infrared-excited confocal Raman spectroscopy advances in vivo diagnosis of cervical precancer.

Science.gov (United States)

Duraipandian, Shiyamala; Zheng, Wei; Ng, Joseph; Low, Jeffrey J H; Ilancheran, Arunachalam; Huang, Zhiwei

2013-06-01

Raman spectroscopy is a unique optical technique that can probe the changes of vibrational modes of biomolecules associated with tissue premalignant transformation. This study evaluates the clinical utility of confocal Raman spectroscopy over near-infrared (NIR) autofluorescence (AF) spectroscopy and composite NIR AF/Raman spectroscopy for improving early diagnosis of cervical precancer in vivo at colposcopy. A rapid NIR Raman system coupled with a ball-lens fiber-optic confocal Raman probe was utilized for in vivo NIR AF/Raman spectral measurements of the cervix. A total of 1240 in vivo Raman spectra [normal (n=993), dysplasia (n=247)] were acquired from 84 cervical patients. Principal components analysis (PCA) and linear discriminant analysis (LDA) together with a leave-one-patient-out, cross-validation method were used to extract the diagnostic information associated with distinctive spectroscopic modalities. The diagnostic ability of confocal Raman spectroscopy was evaluated using the PCA-LDA model developed from the significant principal components (PCs) [i.e., PC4, 0.0023%; PC5, 0.00095%; PC8, 0.00022%, (p<0.05)], representing the primary tissue Raman features (e.g., 854, 937, 1095, 1253, 1311, 1445, and 1654 cm(-1)). Confocal Raman spectroscopy coupled with PCA-LDA modeling yielded the diagnostic accuracy of 84.1% (a sensitivity of 81.0% and a specificity of 87.1%) for in vivo discrimination of dysplastic cervix. The receiver operating characteristic curves further confirmed that the best classification was achieved using confocal Raman spectroscopy compared to the composite NIR AF/Raman spectroscopy or NIR AF spectroscopy alone. This study illustrates that confocal Raman spectroscopy has great potential to improve early diagnosis of cervical precancer in vivo during clinical colposcopy.

Has the time come to use near-infrared spectroscopy as a routine clinical tool in preterm infants undergoing intensive care?

DEFF Research Database (Denmark)

Greisen, Gorm; Leung, Terence; Wolf, Martin

2011-01-01

Several instruments implementing spatially resolved near-infrared spectroscopy (NIRS) to monitor tissue oxygenation are now approved for clinical use. The neonatal brain is readily assessible by NIRS and neurodevelopmental impairment is common in children who were in need of intensive care during...

Implanted near-infrared spectroscopy for cardiac monitoring

Science.gov (United States)

Bhunia, Sourav K.; Cinbis, Can

2011-02-01

Implanted Cardioverter Defibrillator (ICD) provides one of the most effective therapies for the prevention of sudden cardiac death, but also delivers some high voltage shocks inappropriately, causing morbidity and mortality. Implanted near-infrared spectroscopy (NIRS) may augment ICD arrhythmia detection by monitoring skeletal muscle perfusion. A two-wavelength, single-distance, continuous-wave implanted NIRS has been evaluated in-vivo. A weighted difference of the changes in attenuation at two wavelengths, across the isobestic point of the hemoglobin spectra, was taken to be the microvascular oxygenation trend indicator (O2 Index). Although the exact weight depends on the local vascular distribution and their oxygen levels, the hypothesis that a constant weight may be adequate for hemodynamic trending during short arrhythmic episodes, was tested. The sensor was implanted subcutaneously both on fresh tissue and inside scar tissue that formed around a pre-existing implant, in 3 animals each. Attenuations were recorded at 660 and 890 nm during normal sinus rhythm (NSR) and induced ventricular fibrillation (VF). The slope of the O2 Index over 10 seconds was computed for 7 NSR and 8 VF episodes in fresh and 13 NSR and 15 VF episodes in scar tissue pockets. The mean O2 Index slope was significantly different (p<0.0001) between NSR and VF rhythms for both the fresh and scar tissue pockets. Therefore implanted NIRS may be useful for preventing inappropriate detection of VF during electromagnetic interference, double counting of ECG T-wave as an R-wave, ICD lead failure, electrocardiographic aberrancy etc.

Decorin Content and Near Infrared Spectroscopy Analysis of Dried Collagenous Biomaterial Samples

Directory of Open Access Journals (Sweden)

Suzanne Schreyer

2012-12-01

Full Text Available The efficient removal of proteoglycans, such as decorin, from the hide when processing it to leather by traditional means is generally acceptable and beneficial for leather quality, especially for softness and flexibility. A patented waterless or acetone dehydration method that can generate a product similar to leather called Dried Collagenous Biomaterial (known as BCD was developed but has no effect on decorin removal efficiency. The Alcian Blue colorimetric technique was used to assay the sulfated glycosaminoglycan (sGAG portion of decorin. The corresponding residual decorin content was correlated to the mechanical properties of the BCD samples and was comparable to the control leather made traditionally. The waterless dehydration and instantaneous chrome tanning process is a good eco-friendly alternative to transforming hides to leather because no additional effects were observed after examination using NIR spectroscopy and additional chemometric analysis.

Decorin content and near infrared spectroscopy analysis of dried collagenous biomaterial samples.

Science.gov (United States)

Aldema-Ramos, Mila L; Castell, Joan Carles; Muir, Zerlina E; Adzet, Jose Maria; Sabe, Rosa; Schreyer, Suzanne

2012-12-14

The efficient removal of proteoglycans, such as decorin, from the hide when processing it to leather by traditional means is generally acceptable and beneficial for leather quality, especially for softness and flexibility. A patented waterless or acetone dehydration method that can generate a product similar to leather called Dried Collagenous Biomaterial (known as BCD) was developed but has no effect on decorin removal efficiency. The Alcian Blue colorimetric technique was used to assay the sulfated glycosaminoglycan (sGAG) portion of decorin. The corresponding residual decorin content was correlated to the mechanical properties of the BCD samples and was comparable to the control leather made traditionally. The waterless dehydration and instantaneous chrome tanning process is a good eco-friendly alternative to transforming hides to leather because no additional effects were observed after examination using NIR spectroscopy and additional chemometric analysis.

Decorin Content and Near Infrared Spectroscopy Analysis of Dried Collagenous Biomaterial Samples

Science.gov (United States)

Aldema-Ramos, Mila L.; Castell, Joan Carles; Muir, Zerlina E.; Adzet, Jose Maria; Sabe, Rosa; Schreyer, Suzanne

2012-01-01

The efficient removal of proteoglycans, such as decorin, from the hide when processing it to leather by traditional means is generally acceptable and beneficial for leather quality, especially for softness and flexibility. A patented waterless or acetone dehydration method that can generate a product similar to leather called Dried Collagenous Biomaterial (known as BCD) was developed but has no effect on decorin removal efficiency. The Alcian Blue colorimetric technique was used to assay the sulfated glycosaminoglycan (sGAG) portion of decorin. The corresponding residual decorin content was correlated to the mechanical properties of the BCD samples and was comparable to the control leather made traditionally. The waterless dehydration and instantaneous chrome tanning process is a good eco-friendly alternative to transforming hides to leather because no additional effects were observed after examination using NIR spectroscopy and additional chemometric analysis. PMID:24970152

Long open-path measurements of greenhouse gases in air using near-infrared Fourier transform spectroscopy

Science.gov (United States)

Griffith, David W. T.; Pöhler, Denis; Schmitt, Stefan; Hammer, Samuel; Vardag, Sanam N.; Platt, Ulrich

2018-03-01

In complex and urban environments, atmospheric trace gas composition is highly variable in time and space. Point measurement techniques for trace gases with in situ instruments are well established and accurate, but do not provide spatial averaging to compare against developing high-resolution atmospheric models of composition and meteorology with resolutions of the order of a kilometre. Open-path measurement techniques provide path average concentrations and spatial averaging which, if sufficiently accurate, may be better suited to assessment and interpretation with such models. Open-path Fourier transform spectroscopy (FTS) in the mid-infrared region, and differential optical absorption spectroscopy (DOAS) in the UV and visible, have been used for many years for open-path spectroscopic measurements of selected species in both clean air and in polluted environments. Near infrared instrumentation allows measurements over longer paths than mid-infrared FTS for species such as greenhouse gases which are not easily accessible to DOAS.In this pilot study we present the first open-path near-infrared (4000-10 000 cm-1, 1.0-2.5 µm) FTS measurements of CO2, CH4, O2, H2O and HDO over a 1.5 km path in urban Heidelberg, Germany. We describe the construction of the open-path FTS system, the analysis of the collected spectra, several measures of precision and accuracy of the measurements, and the results a four-month trial measurement period in July-November 2014. The open-path measurements are compared to calibrated in situ measurements made at one end of the open path. We observe significant differences of the order of a few ppm for CO2 and a few tens of ppb for CH4 between the open-path and point measurements which are 2 to 4 times the measurement repeatability, but we cannot unequivocally assign the differences to specific local sources or sinks. We conclude that open-path FTS may provide a valuable new tool for investigations of atmospheric trace gas composition in

Use of NIR spectroscopy and multivariate process spectra calibration methodology for pharmaceutical solid samples analysis

OpenAIRE

Cárdenas Espitia, Vanessa

2012-01-01

Accomplish high quality of final products in pharmaceutical industry is a challenge that requires the control and supervision of all the manufacturing steps. This request created the necessity of developing fast and accurate analytical methods. Near infrared spectroscopy together with chemometrics, fulfill this growing demand. The high speed providing relevant information and the versatility of its application to different types of samples lead these combined techniques as one of the most app...

THE EARLIEST NEAR-INFRARED TIME-SERIES SPECTROSCOPY OF A TYPE Ia SUPERNOVA

Energy Technology Data Exchange (ETDEWEB)

Hsiao, E. Y.; Phillips, M. M.; Morrell, N.; Contreras, C.; Roth, M. [Carnegie Observatories, Las Campanas Observatory, Colina El Pino, Casilla 601 (Chile); Marion, G. H.; Kirshner, R. P. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Burns, C. R.; Freedman, W. L.; Persson, S. E. [Carnegie Observatories, 813 Santa Barbara St, Pasadena, CA 91101 (United States); Winge, C. [Gemini South Observatory, c/o AURA Inc., Casilla 603, La Serena (Chile); Kromer, M.; Gall, E. E. E. [Max-Planck-Institut fuer Astrophysik, Karl-Schwarzschild-Str. 1, D-85741 Garching bei Muenchen (Germany); Gerardy, C. L.; Hoeflich, P. [Department of Physics, Florida State University, Tallahassee, FL 32306 (United States); Im, M.; Jeon, Y. [CEOU/Astronomy Program, Department of Physics and Astronomy, Seoul National University, Seoul (Korea, Republic of); Nugent, P. E. [Computational Cosmology Center, Computational Research Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road MS 50B-4206, Berkeley, CA 94611 (United States); Pignata, G. [Departamento de Ciencias Fisicas, Universidad Andres Bello, Avda. Republica 252, Santiago (Chile); Stanishev, V., E-mail: hsiao@lco.cl [CENTRA - Centro Multidisciplinar de Astrofisica, Instituto Superior Tecnico, Av. Rovisco Pais 1, 1049-001 Lisbon (Portugal); and others

2013-04-01

We present ten medium-resolution, high signal-to-noise ratio near-infrared (NIR) spectra of SN 2011fe from SpeX on the NASA Infrared Telescope Facility (IRTF) and Gemini Near-Infrared Spectrograph (GNIRS) on Gemini North, obtained as part of the Carnegie Supernova Project. This data set constitutes the earliest time-series NIR spectroscopy of a Type Ia supernova (SN Ia), with the first spectrum obtained at 2.58 days past the explosion and covering -14.6 to +17.3 days relative to B-band maximum. C I {lambda}1.0693 {mu}m is detected in SN 2011fe with increasing strength up to maximum light. The delay in the onset of the NIR C I line demonstrates its potential to be an effective tracer of unprocessed material. For the first time in a SN Ia, the early rapid decline of the Mg II {lambda}1.0927 {mu}m velocity was observed, and the subsequent velocity is remarkably constant. The Mg II velocity during this constant phase locates the inner edge of carbon burning and probes the conditions under which the transition from deflagration to detonation occurs. We show that the Mg II velocity does not correlate with the optical light-curve decline rate {Delta}m{sub 15}(B). The prominent break at {approx}1.5 {mu}m is the main source of concern for NIR k-correction calculations. We demonstrate here that the feature has a uniform time evolution among SNe Ia, with the flux ratio across the break strongly correlated with {Delta}m{sub 15}(B). The predictability of the strength and the onset of this feature suggests that the associated k-correction uncertainties can be minimized with improved spectral templates.

Charactering baseline shift with 4th polynomial function for portable biomedical near-infrared spectroscopy device

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Zhao, Ke; Ji, Yaoyao; Pan, Boan; Li, Ting

2018-02-01

The continuous-wave Near-infrared spectroscopy (NIRS) devices have been highlighted for its clinical and health care applications in noninvasive hemodynamic measurements. The baseline shift of the deviation measurement attracts lots of attentions for its clinical importance. Nonetheless current published methods have low reliability or high variability. In this study, we found a perfect polynomial fitting function for baseline removal, using NIRS. Unlike previous studies on baseline correction for near-infrared spectroscopy evaluation of non-hemodynamic particles, we focused on baseline fitting and corresponding correction method for NIRS and found that the polynomial fitting function at 4th order is greater than the function at 2nd order reported in previous research. Through experimental tests of hemodynamic parameters of the solid phantom, we compared the fitting effect between the 4th order polynomial and the 2nd order polynomial, by recording and analyzing the R values and the SSE (the sum of squares due to error) values. The R values of the 4th order polynomial function fitting are all higher than 0.99, which are significantly higher than the corresponding ones of 2nd order, while the SSE values of the 4th order are significantly smaller than the corresponding ones of the 2nd order. By using the high-reliable and low-variable 4th order polynomial fitting function, we are able to remove the baseline online to obtain more accurate NIRS measurements.

Asymmetrical Brain Activity Induced by Voluntary Spatial Attention Depends on the Visual Hemifield: A Functional Near-Infrared Spectroscopy Study

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Harasawa, Masamitsu; Shioiri, Satoshi

2011-01-01

The effect of the visual hemifield to which spatial attention was oriented on the activities of the posterior parietal and occipital visual cortices was examined using functional near-infrared spectroscopy in order to investigate the neural substrates of voluntary visuospatial attention. Our brain imaging data support the theory put forth in a…

Sleep apnea termination decreases cerebral blood volume: a near-infrared spectroscopy case study

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Virtanen, Jaakko; Noponen, Tommi; Salmi, Tapani; Toppila, Jussi; Meriläinen, Pekka

2009-07-01

Medical near-infrared spectroscopy (NIRS) can be used to estimate cerebral haemodynamic changes non-invasively. Sleep apnea is a common sleep disorder where repetitive pauses in breathing decrease the quality of sleep and exposes the individual to various health problems. We have measured oxygenated and deoxygenated haemoglobin concentration changes during apneic events in sleep from the forehead of one subject using NIRS and used principal component analysis to extract extracerebral and cortical haemodynamic changes from NIRS signals. Comparison of NIRS signals with EEG, bioimpedance, and pulse oximetry data suggests that termination of apnea leads to decreases in cerebral blood volume and flow that may be related to neurological arousal via neurovascular coupling.

Rapid monitoring of the spoilage of minced beef stored under conventionally and active packaging conditions using Fourier transform infrared spectroscopy in tandem with chemometrics.

Science.gov (United States)

Ammor, Mohammed Salim; Argyri, Anthoula; Nychas, George-John E

2009-03-01

Fourier transform infrared (FTIR) spectroscopy was exploited to measure biochemical changes within fresh minced beef in an attempt to rapidly monitor beef spoilage. Minced beef packaged either aerobically, under modified atmosphere and using an active packaging were held from freshness to spoilage at 0, 5, 10, and 15°C. Frequent FTIR measurements were collected directly from the sample surface using attenuated total reflectance, in parallel the total viable counts of bacteria, the sensory quality and the pH were also determined. Principal components analysis allowed illuminating the wavenumbers potentially correlated with the spoilage process. Qualitative interpretation of spectral data was carried out using discriminant factorial analysis and used to corroborate sensory data and to accurately determine samples freshness and packaging. Partial least-squares regressions permitted estimates of bacterial loads and pH values from the spectral data with a fit of R(2)=0.80 for total viable counts and fit of R(2)=0.92 for the pH. Obtained results demonstrated that a FTIR spectrum may be considered as a metabolic fingerprint and that the method in tandem with chemometrics represents a powerful, rapid, economical and non-invasive method for monitoring minced beef freshness regardless the storage conditions (e.g. packaging and temperature).

Simultaneous multi-depth assessment of tissue oxygen saturation in thenar and forearm using near-infrared spectroscopy during a simple cardiovascular challenge

NARCIS (Netherlands)

Bezemer, Rick; Karemaker, John M.; Klijn, Eva; Martin, Daniel; Mitchell, Kay; Grocott, Mike; Heger, Michal; Ince, Can

2009-01-01

INTRODUCTION: Hypovolemia and hypovolemic shock are life-threatening conditions that occur in numerous clinical scenarios. Near-infrared spectroscopy (NIRS) has been widely explored, successfully and unsuccessfully, in an attempt to use it as an early detector of hypovolemia by measuring tissue

Near Infrared Spectroscopy during pediatric cardiac surgery: errors and pitfalls.

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Durandy, Y; Rubatti, M; Couturier, R

2011-09-01

As a result of improvements in early outcomes, long-term neurologicalal outcomes are becoming a major issue in pediatric cardiac surgery. The mechanisms of brain injury are numerous, but a vast majority of injuries are impervious to therapy and only a few are modifiable. The quality of perfusion during cardiac surgery is a modifiable factor and cerebral monitoring during bypass is the way to assess the quality of intra-operative cerebral perfusion. Near infrared spectroscopy (NIRS), as a diagnostic tool, has gained in popularity within the perfusion community. However, NIRS is becoming the standard of care before its scientific validation. This manuscript relates four clinical cases, demonstrating the limitations of NIRS monitoring during pediatric cardiac surgery as well as uncertainties about the interpretation of the recorded values. The clinical relevance of cerebral oxymetry is needed before the use of NIRS as a decision making tool. Multimodal brain monitoring with NIRS, trans-cranial Doppler and electroencephalogram are currently under way in several pediatric centers. The benefit of this time-consuming and expensive monitoring system has yet to be demonstrated.

Functional neuroimaging of breastfeeding analgesia by multichannel near-infrared spectroscopy.

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Bembich, Stefano; Davanzo, Riccardo; Brovedani, Pierpaolo; Clarici, Andrea; Massaccesi, Stefano; Demarini, Sergio

2013-01-01

Newborns perceive pain, and several non-pharmacologic analgesic methods have been used during painful procedures. Activation of the neonatal somatosensory cortex, in association with a painful procedure without analgesia, has been demonstrated by two-channel near-infrared spectroscopy (NIRS). To evaluate both cortical and behavioural responses of healthy term newborns to a painful procedure during two non-pharmacologic analgesic interventions, i.e. glucose solution and breastfeeding. The effects of glucose and breastfeeding on pain-associated neonatal cortical activity were studied in two groups (n = 30) by multichannel NIRS during a heel prick. Cortical activation was identified by variations in oxygenated haemoglobin. Neonatal pain expression was assessed by a validated scale. No significant variations in cortical activity emerged using glucose solution, whereas breastfed newborns showed widespread cortical activation. Breastfed neonates showed significantly less behavioural pain expression. Glucose is associated with no significant cortical activation and may interfere with pain-associated response at the cortical level. Conversely, breastfeeding analgesia is associated with generalized cortical activation and may act by multisensory stimulation, possibly overwhelming pain perception. Copyright © 2013 S. Karger AG, Basel.

Grape juice quality control by means of {sup 1}H NMR spectroscopy and chemometric analyses

Energy Technology Data Exchange (ETDEWEB)

Grandizoli, Caroline Werner Pereira da Silva; Campos, Francinete Ramos; Simonelli, Fabio; Barison, Andersson [Universidade Federal do Paraná (UFPR), Curitiba (Brazil). Departamento de Química

2014-07-01

This work shows the application of {sup 1}H NMR spectroscopy and chemometrics for quality control of grape juice. A wide range of quality assurance parameters were assessed by single {sup 1}H NMR experiments acquired directly from juice. The investigation revealed that conditions and time of storage should be revised and indicated on all labels. The sterilization process of homemade grape juices was efficient, making it possible to store them for long periods without additives. Furthermore, chemometric analysis classified the best commercial grape juices to be similar to homemade grape juices, indicating that this approach can be used to determine the authenticity after adulteration. (author)

Fast characterization of solid organic waste content with near infrared spectroscopy in anaerobic digestion.

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Charnier, Cyrille; Latrille, Eric; Jimenez, Julie; Lemoine, Margaux; Boulet, Jean-Claude; Miroux, Jérémie; Steyer, Jean-Philippe

2017-01-01

The development of anaerobic digestion involves both co-digestion of solid wastes and optimization of the feeding recipe. Within this context, substrate characterisation is an essential issue. Although it is widely used, the biochemical methane potential is not sufficient to optimize the operation of anaerobic digestion plants. Indeed the biochemical composition in carbohydrates, lipids, proteins and the chemical oxygen demand of the inputs are key parameters for the optimisation of process performances. Here we used near infrared spectroscopy as a robust and less-time consuming tool to predict the solid waste content in carbohydrates, lipids and nitrogen, and the chemical oxygen demand. We built a Partial Least Square regression model with 295 samples and validated it with an independent set of 46 samples across a wide range of solid wastes found in anaerobic digestion units. The standard errors of cross-validation were 90mgO 2 ⋅gTS -1 carbohydrates, 2.5∗10 -2 g⋅gTS -1 lipids, 7.2∗10 -3 g⋅gTS -1 nitrogen and 99mgO 2 ⋅gTS -1 chemical oxygen demand. The standard errors of prediction were 53mgO 2 ⋅gTS -1 carbohydrates, 3.2∗10 -2 g⋅gTS -1 lipids, 8.6∗10 -3 g⋅gTS -1 nitrogen and 83mgO 2 ⋅gTS -1 chemical oxygen demand. These results show that near infrared spectroscopy is a new fast and cost-efficient way to characterize solid wastes content and improve their anaerobic digestion monitoring. Copyright © 2016 Elsevier Ltd. All rights reserved.

Absolute measurement of cerebral optical coefficients, hemoglobin concentration and oxygen saturation in old and young adults with near-infrared spectroscopy

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We present near-infrared spectroscopy measurement of absolute cerebral hemoglobin concentration and saturation in a large sample of 36 healthy elderly (mean age, 85 ± 6 years) and 19 young adults (mean age, 28 ± 4 years). Non-invasive measurements were obtained on the forehead using a commercially a...

Advances in R&D in near-infrared spectroscopy in Japan

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Kawano, Sumio; Iwamoto, Mutsuo

1991-02-01

More than 20 years ago when Mr. K. H. Norris firstly introduced the near infrared spectroscopy (NIRS) as a powerful technology in the field of composition analysis of cereals those who were interested in the area of classical spectroscopy would not like to recognize its potential. This tendency still remains at present however it leaves no room for doubt that from viewpoints of applied spectroscopy the NIRS has consolidated its position. From a viewpoint of NIRS application in the field of nondestructive or non invasive measuring techniques history of this technology is only the last decade in Japan. However since the technology was firstly introduced to composition analysis of agricultural commodities in the same manner as in other countries R and D have been growing more actively in diversified fields such as agriculture and industry as well as medical science. In addition the NIRS technology are becoming of general interest by combining other techniques to create various hyphenated instrumentations such as FTNIR MCFTNIR NIRCT and NIR-NMR. In this paper new trends of R D on NIR spectroscopy which are being conducted in Japan will be reviewed. 2. S1JMMARY OF PRESENT R D ON NIRS IN JAPAN NIRS applications reported in the last 3 years are summarized in Table 1. Table 1 Applications of NIRS in Japan Application for Agriculture Taste evaluation of rice and coffee Determination of chemical compositions rice for breeding Determination of chemical compositions in tea Determination of sugar contents in intact peaches Japanese pears Satsuma oranges and apples Determination of sugars and acids in intact tomatoes Determination of forage composition Application for Industry Analysis of state of water in foods Application of analyzing Maillard Reaction''s Process Pattern recognition of NIR spectra as related to process control of roasting coffee beans Quality control of tea processing Determination of moisture content of Surimi products 2 / SPIE Vol. 1379 Optics in Agriculture

Rapid discrimination of geographical origin and evaluation of antioxidant activity of Salvia miltiorrhiza var. alba by Fourier transform near infrared spectroscopy.

Science.gov (United States)

Duan, Xiaoju; Zhang, Danlu; Nie, Lei; Zang, Hengchang

2014-03-25

Radix Salvia miltiorrhiza Bge. var. alba C.Y. Wu and H.W. Li and Radix S. miltrorrhiza belong to the same genus. S. miltiorrhiza var. alba has a unique effectiveness for thromboangiitis besides therapeutical efficay of S. miltrorrhiza. It exhibits antioxidant activity (AA), while its quality and efficacy also vary with geographic locations. Therefore, a rapid and nondestructive method based on Fourier transform near infrared spectroscopy (FT-NIRS) was developed for discrimination of geographical origin and evaluation of AA of S. miltiorrhiza var. alba. The discrimination of geographical origin was achieved by using discriminant analysis and the accuracy was 100%. Partial least squares (PLS) regression was employed to establish the model for evaluation of AA by NIRS. The spectral regions were selected by interval PLS (i-PLS) method. Different pre-treated methods were compared for the spectral pre-processing. The final optimal results of PLS model showed that correlation coefficients in the calibration set (Rc) and the prediction set (Rp), root mean square error of prediction (RMSEP) and residual prediction deviation (RPD) were 0.974, 0.950, 0.163 mg mL(-1) and 2.66, respectively. The results demonstrated that NIRs combined with chemometric methods could be a rapid and nondestructive tool to discriminate geographical origin and evaluate AA of S. miltiorrhiza var. alba. The developed NIRS method might have a potential application to high-throughput screening of a great number of raw S. miltiorrhiza var. alba samples for AA. Copyright © 2013 Elsevier B.V. All rights reserved.

Quantification of extra-cerebral and cerebral hemoglobin concentrations during physical exercise using time-domain near infrared spectroscopy

OpenAIRE

Auger, Héloïse; Bherer, Louis; Boucher, Étienne; Hoge, Richard; Lesage, Frédéric; Dehaes, Mathieu

2016-01-01

Fitness is known to have beneficial effects on brain anatomy and function. However, the understanding of mechanisms underlying immediate and long-term neurophysiological changes due to exercise is currently incomplete due to the lack of tools to investigate brain function during physical activity. In this study, we used time-domain near infrared spectroscopy (TD-NIRS) to quantify and discriminate extra-cerebral and cerebral hemoglobin concentrations and oxygen saturation (SO2) in young adults...

Rapid biochemical methane potential prediction of urban organic waste with near-infrared reflectance spectroscopy

DEFF Research Database (Denmark)

Fitamo, Temesgen Mathewos; Triolo, Jin Mi; Boldrin, Alessio

2017-01-01

. The aim of the present study is to develop a fast and reliable model based on near-infrared reflectance spectroscopy (NIRS) for the BMP prediction of urban organic waste (UOW). The model comprised 87 UOW samples. Additionally, 88 plant biomass samples were included, to develop a combined model predicting...... BMP. The coefficient of determination (R2) and root mean square error in prediction (RMSEP) of the UOW model were 0.88 and 44 mL CH4/g VS, while the combined model was 0.89 and 50 mL CH4/g VS. Improved model performance was obtained for the two individual models compared to the combined version...

A Near Infrared Spectroscopy (NIRS) and Chemometric Approach to Improve Apple Fruit Quality Management: A Case Study on the Cultivars "Cripps Pink" and "Braeburn".

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Eisenstecken, Daniela; Panarese, Alessia; Robatscher, Peter; Huck, Christian W; Zanella, Angelo; Oberhuber, Michael

2015-07-24

The potential of near infrared spectroscopy (NIRS) in the wavelength range of 1000-2500 nm for predicting quality parameters such as total soluble solids (TSS), acidity (TA), firmness, and individual sugars (glucose, fructose, sucrose, and xylose) for two cultivars of apples ("Braeburn" and "Cripps Pink") was studied during the pre- and post-storage periods. Simultaneously, a qualitative investigation on the capability of NIRS to discriminate varieties, harvest dates, storage periods and fruit inhomogeneity was carried out. In order to generate a sample set with high variability within the most relevant apple quality traits, three different harvest time points in combination with five different storage periods were chosen, and the evolution of important quality parameters was followed both with NIRS and wet chemical methods. By applying a principal component analysis (PCA) a differentiation between the two cultivars, freshly harvested vs. long-term stored apples and, notably, between the sun-exposed vs. shaded side of apples could be found. For the determination of quality parameters effective prediction models for titratable acid (TA) and individual sugars such as fructose, glucose and sucrose by using partial least square (PLS) regression have been developed. Our results complement earlier reports, highlighting the versatility of NIRS as a fast, non-invasive method for quantitative and qualitative studies on apples.

Rapid assessment of selected free amino acids during Edam cheese ripening by near infrared spectroscopy

Directory of Open Access Journals (Sweden)

Jiří Mlček

2013-01-01

Full Text Available The study focuses on rapid determination of free amino acids produced during the ripening of cheese, by using near infrared spectroscopy. Analyses of 96 samples of Edam cheese (30% and 45% of fat in dry matter were performed at monthly intervals up to the ripening age of 6 months. In total, 19 amino acids were analysed with infrared spectrometer using two different methods, either in the regime of reflectance in the integrating sphere of the apparatus or using a fibre optic apparatus with the fibre optic probe. Reference data based on high-performance liquid chromatography were used for calibration of the spectrophotometer. Calibration models were developed using a partial least square algorithm and tested by means of cross-validation. When measured with the integrating sphere and with the probe, the values of correlation coefficients ranged from 0.835 to 0.993 and from 0.739 to 0.995, respectively. Paired t-test did not show significant differences between the reference and predicted values (P < 0.05. The results of this new calibration method showed the possibility of near infrared technology for fast determination of free amino acids, which occur during the ripening of Edam cheese. The content of free amino acids allow us to prepare Edam cheese quickly and efficiently for sale or to prepare the material for processed cheese.

Near-infrared spectroscopy (NIRS) as a new tool for neuroeconomic research

Science.gov (United States)

Kopton, Isabella M.; Kenning, Peter

2014-01-01

Over the last decade, the application of neuroscience to economic research has gained in importance and the number of neuroeconomic studies has grown extensively. The most common method for these investigations is fMRI. However, fMRI has limitations (particularly concerning situational factors) that should be countered with other methods. This review elaborates on the use of functional Near-Infrared Spectroscopy (fNIRS) as a new and promising tool for investigating economic decision making both in field experiments and outside the laboratory. We describe results of studies investigating the reliability of prototype NIRS studies, as well as detailing experiments using conventional and stationary fNIRS devices to analyze this potential. This review article shows that further research using mobile fNIRS for studies on economic decision making outside the laboratory could be a fruitful avenue helping to develop the potential of a new method for field experiments outside the laboratory. PMID:25147517

[Near-infrared reflectance spectroscopy predicts protein, moisture and ash in beans].

Science.gov (United States)

Gao, Huiyu; Wang, Guodong; Men, Jianhua; Wang, Zhu

2017-05-01

To explore the potential of near-infrared reflectance( NIR)spectroscopy to determine macronutrient contents in beans. NIR spectra and analytical measurements of protein, moisture and ash were collected from 70 kinds of beans. Reference methods were used to analyze all the ground beans samples. NIR spectra on intact and ground beans samples were registered. Partial least-squares( PLS)regression models were developed with principal components analysis( PCA) to assign 49 bean accessions to a calibration data set and 21 accessions to an external validation set. For intact beans, the relative predictive determinant( RPD) values for protein and ash( 3. 67 and 3. 97, respectively) were good for screening. RPD value for moisture was only 1. 39, which was not recommended. For ground beans, the RPD values for protein, moisture and ash( 6. 63, 5. 25 and 3. 57, respectively) were good enough for screening. The protein, moisture and ash levels for intact and ground beans were all significantly correlated( P beans with no or easy sample preparation.

Near infrared spectroscopy and exercise

International Nuclear Information System (INIS)

Angus, Caroline

2002-01-01

Near infrared spectroscopy (NIRS) provides a non-invasive method for the continuous monitoring of changes in tissue oxygenation and blood volume during aerobic exercise. During incremental exercise in adult subjects there was a positive correlation between lactate threshold (measured by blood sampling) and changes in the rate of muscle deoxygenation (measured by NIRS). However, the 7% failure rate for the NIRS test mitigated against the general use of this method. NIRS did not provide a valid method for LT determination in an adolescent population. NIRS was then used to examine whether haemodynamic changes could be a contributing factor to the mechanism underlying the cross-transfer effect. During a one-legged incremental aerobic exercise test the muscle was more deoxygenated in the exercising leg than in the non-exercising leg, consistent with oxygen consumption outstripping blood flow to the exercising limb. However, muscle blood volume increased equally in both legs. This suggests that blood flow may be raised to similar levels in both the legs; although local factors may signal an increase in blood volume, this effect is expressed in both legs. Muscle blood flow and changes in muscle blood volume were then measured directly by NIRS during an incremental one-arm aerobic exercise test. There was no significant difference in either blood volume or blood flow in the two arms at the end of the test. In the non-exercising arm changes in blood flow and blood volume were measured throughout the protocol. At higher exercise intensities, blood volume continued to rise as muscle blood flow plateaued, indicating that blood volume changes become independent of changes in blood flow. Finally, the effect of different training regimes on changes in muscle blood volume was examined. Subjects were assigned to a training group; two-arm training, one-arm training or a control group. Training did not affect blood volume changes during two-arm exercise. However, during one

Rapid detection of Listeria monocytogenes in milk using confocal micro-Raman spectroscopy and chemometric analysis.

Science.gov (United States)

Wang, Junping; Xie, Xinfang; Feng, Jinsong; Chen, Jessica C; Du, Xin-jun; Luo, Jiangzhao; Lu, Xiaonan; Wang, Shuo

2015-07-02

Listeria monocytogenes is a facultatively anaerobic, Gram-positive, rod-shape foodborne bacterium causing invasive infection, listeriosis, in susceptible populations. Rapid and high-throughput detection of this pathogen in dairy products is critical as milk and other dairy products have been implicated as food vehicles in several outbreaks. Here we evaluated confocal micro-Raman spectroscopy (785 nm laser) coupled with chemometric analysis to distinguish six closely related Listeria species, including L. monocytogenes, in both liquid media and milk. Raman spectra of different Listeria species and other bacteria (i.e., Staphylococcus aureus, Salmonella enterica and Escherichia coli) were collected to create two independent databases for detection in media and milk, respectively. Unsupervised chemometric models including principal component analysis and hierarchical cluster analysis were applied to differentiate L. monocytogenes from Listeria and other bacteria. To further evaluate the performance and reliability of unsupervised chemometric analyses, supervised chemometrics were performed, including two discriminant analyses (DA) and soft independent modeling of class analogies (SIMCA). By analyzing Raman spectra via two DA-based chemometric models, average identification accuracies of 97.78% and 98.33% for L. monocytogenes in media, and 95.28% and 96.11% in milk were obtained, respectively. SIMCA analysis also resulted in satisfied average classification accuracies (over 93% in both media and milk). This Raman spectroscopic-based detection of L. monocytogenes in media and milk can be finished within a few hours and requires no extensive sample preparation. Copyright © 2015 Elsevier B.V. All rights reserved.

Fully Automated Lipid Pool Detection Using Near Infrared Spectroscopy

Directory of Open Access Journals (Sweden)

Elżbieta Pociask

2016-01-01

Full Text Available Background. Detecting and identifying vulnerable plaque, which is prone to rupture, is still a challenge for cardiologist. Such lipid core-containing plaque is still not identifiable by everyday angiography, thus triggering the need to develop a new tool where NIRS-IVUS can visualize plaque characterization in terms of its chemical and morphologic characteristic. The new tool can lead to the development of new methods of interpreting the newly obtained data. In this study, the algorithm to fully automated lipid pool detection on NIRS images is proposed. Method. Designed algorithm is divided into four stages: preprocessing (image enhancement, segmentation of artifacts, detection of lipid areas, and calculation of Lipid Core Burden Index. Results. A total of 31 NIRS chemograms were analyzed by two methods. The metrics, total LCBI, maximal LCBI in 4 mm blocks, and maximal LCBI in 2 mm blocks, were calculated to compare presented algorithm with commercial available system. Both intraclass correlation (ICC and Bland-Altman plots showed good agreement and correlation between used methods. Conclusions. Proposed algorithm is fully automated lipid pool detection on near infrared spectroscopy images. It is a tool developed for offline data analysis, which could be easily augmented for newer functions and projects.

Nondestructive evaluation of free acid content in apples using near-infrared spectroscopy

International Nuclear Information System (INIS)

Sohn, M.R.; Cho, R.K.

1998-01-01

In non-destructive evaluation of free acid content in apples by near- infrared spectroscopy(NIRS), browning and heat treatment of squeezed apple juice affected to the accuracy but titratable alkali concentration did not. The free acid content in apples after harvest was able to determine using different apples in harvest time for calibration making. The result of MLR, multiple correlation coefficient(R) was 0.77 and standard error of prediction(SEP) was 0.03%. The free acid content in apples during storage was able to determine using calibration equation established with stored apples, R was 0.90 and SEP was ca. 0.04%. The prediction accuracy by NIR was not sufficient for use of quantitative analysis of free acid content in apple, but classification of low and high level in acid content was supposed to be applicable

Visible and Near-Infrared Spectroscopy Analysis of a Polycyclic Aromatic Hydrocarbon in Soils

Directory of Open Access Journals (Sweden)

Reuben N. Okparanma

2013-01-01

Full Text Available Visible and near-infrared (VisNIR spectroscopy is becoming recognised by soil scientists as a rapid and cost-effective measurement method for hydrocarbons in petroleum-contaminated soils. This study investigated the potential application of VisNIR spectroscopy (350–2500 nm for the prediction of phenanthrene, a polycyclic aromatic hydrocarbon (PAH, in soils. A total of 150 diesel-contaminated soil samples were used in the investigation. Partial least-squares (PLS regression analysis with full cross-validation was used to develop models to predict the PAH compound. Results showed that the PAH compound was predicted well with residual prediction deviation of 2.0–2.32, root-mean-square error of prediction of 0.21–0.25 mg kg−1, and coefficient of determination (r2 of 0.75–0.83. The mechanism of prediction was attributed to covariation of the PAH with clay and soil organic carbon. Overall, the results demonstrated that the methodology may be used for predicting phenanthrene in soils utilizing the interrelationship between clay and soil organic carbon.

Visible and Near-Infrared Spectroscopy Analysis of a Polycyclic Aromatic Hydrocarbon in Soils

Science.gov (United States)

Okparanma, Reuben N.; Mouazen, Abdul M.

2013-01-01

Visible and near-infrared (VisNIR) spectroscopy is becoming recognised by soil scientists as a rapid and cost-effective measurement method for hydrocarbons in petroleum-contaminated soils. This study investigated the potential application of VisNIR spectroscopy (350–2500 nm) for the prediction of phenanthrene, a polycyclic aromatic hydrocarbon (PAH), in soils. A total of 150 diesel-contaminated soil samples were used in the investigation. Partial least-squares (PLS) regression analysis with full cross-validation was used to develop models to predict the PAH compound. Results showed that the PAH compound was predicted well with residual prediction deviation of 2.0–2.32, root-mean-square error of prediction of 0.21–0.25 mg kg−1, and coefficient of determination (r 2) of 0.75–0.83. The mechanism of prediction was attributed to covariation of the PAH with clay and soil organic carbon. Overall, the results demonstrated that the methodology may be used for predicting phenanthrene in soils utilizing the interrelationship between clay and soil organic carbon. PMID:24453798

Attenuated Total Reflection Mid-Infrared (ATR-MIR) Spectroscopy and Chemometrics for the Identification and Classification of Commercial Tannins.

Science.gov (United States)

Ricci, Arianna; Parpinello, Giuseppina P; Olejar, Kenneth J; Kilmartin, Paul A; Versari, Andrea

2015-11-01

Attenuated total reflection Fourier transform infrared (FT-IR) spectroscopy was used to characterize 40 commercial tannins, including condensed and hydrolyzable chemical classes, provided as powder extracts from suppliers. Spectral data were processed to detect typical molecular vibrations of tannins bearing different chemical groups and of varying botanical origin (univariate qualitative analysis). The mid-infrared region between 4000 and 520 cm(-1) was analyzed, with a particular emphasis on the vibrational modes in the fingerprint region (1800-520 cm(-1)), which provide detailed information about skeletal structures and specific substituents. The region 1800-1500 cm(-1) contained signals due to hydrolyzable structures, while bands due to condensed tannins appeared at 1300-900 cm(-1) and exhibited specific hydroxylation patterns useful to elucidate the structure of the flavonoid monomeric units. The spectra were investigated further using principal component analysis for discriminative purposes, to enhance the ability of infrared spectroscopy in the classification and quality control of commercial dried extracts and to enhance their industrial exploitation.

Correlation between near infrared spectroscopy and electrical techniques in measuring skin moisture content

International Nuclear Information System (INIS)

Mohamad, M; Sabbri, A R M; Jafri, M Z Mat; Omar, A F

2014-01-01

Near infrared (NIR) spectroscopy technique serves as an important tool for the measurement of moisture content of skin owing to the advantages it has over the other techniques. The purpose of the study is to develop a correlation between NIR spectrometer with electrical conventional techniques for skin moisture measurement. A non-invasive measurement of moisture content of skin was performed on different part of human face and hand under control environment (temperature 21 ± 1 °C, relative humidity 45 ± 5 %). Ten healthy volunteers age between 21-25 (male and female) participated in this study. The moisture content of skin was measured using DermaLab ® USB Moisture Module, Scalar Moisture Checker and NIR spectroscopy (NIRQuest). Higher correlation was observed between NIRQuest and Dermalab moisture probe with a coefficient of determination (R 2 ) above 70 % for all the subjects. However, the value of R 2 between NIRQuest and Moisture Checker was observed to be lower with the R 2 values ranges from 51.6 to 94.4 %. The correlation of NIR spectroscopy technique successfully developed for measuring moisture content of the skin. The analysis of this correlation can help to establish novel instruments based on an optical system in clinical used especially in the dermatology field

The use of near-infrared spectroscopy in understanding skeletal muscle physiology: recent developments.

Science.gov (United States)

Ferrari, Marco; Muthalib, Makii; Quaresima, Valentina

2011-11-28

This article provides a snapshot of muscle near-infrared spectroscopy (NIRS) at the end of 2010 summarizing the recent literature, offering the present status and perspectives of the NIRS instrumentation and methods, describing the main NIRS studies on skeletal muscle physiology, posing open questions and outlining future directions. So far, different NIRS techniques (e.g. continuous-wave (CW) and spatially, time- and frequency-resolved spectroscopy) have been used for measuring muscle oxygenation during exercise. In the last four years, approximately 160 muscle NIRS articles have been published on different physiological aspects (primarily muscle oxygenation and haemodynamics) of several upper- and lower-limb muscle groups investigated by using mainly two-channel CW and spatially resolved spectroscopy commercial instruments. Unfortunately, in only 15 of these studies were the advantages of using multi-channel instruments exploited. There are still several open questions in the application of NIRS in muscle studies: (i) whether NIRS can be used in subjects with a large fat layer; (ii) the contribution of myoglobin desaturation to the NIRS signal during exercise; (iii) the effect of scattering changes during exercise; and (iv) the effect of changes in skin perfusion, particularly during prolonged exercise. Recommendations for instrumentation advancements and future muscle NIRS studies are provided.

[Determination of steviol in Stevia Rebaudiana leaves by near infrared spectroscopy].

Science.gov (United States)

Tang, Qi-Kun; Wang, Yul; Wu, Yue-Jin; Min, Di; Chen, Da-Wei; Hu, Tong-Hua

2014-10-01

The objective of the present study is to develop a method for rapid determination of the content of stevioside (ST) and rebaudioside A (RA) in Stevia Rebaudiana leaves. One hundred and five samples of stevia from different areas containing ST of 0.27%-1.40% and RA of 0.61%-3.98% were used. The 105 groups' NIRS diagram was processed by different methods including subtracting a straight line (SLS), multiplicative scatter correction (MSC), first derivative (FD), second derivative (SD) and so on, and then all data were analyzed by partial least square (PLS). The study showed that SLS can be used to extracted spectra information thoroughly to analyze the contents of ST, the correlation coefficients of calibration (Re), the root-mean-square errors of calibration (RMSEC) and prediction (RMSEP), and the residual predictive deviation (RPD) were 0.986, 0.341, 1.00 and 2.8, respectively. The correlation coefficients of RA was 0.967, RMSEC was 1.50, RMSEP was 1.98 and RPD was 4.17. The results indicated that near infrared spectroscopy (NIRS) technique offers effective quantitative capability for ST and RA in Stevia Rebaudiana leaves. Then the model of stevia dried leaves was used to compare with the stevia powder near infrared model whose correlation coefficients of ST was 0.986, RMSEC was 0.32, RMSEP was 0.601 and RPD was 2.86 and the correlation coefficients of RA was 0.968, RMSEC was 1.50, RMSEP was 1.48 and RPD was 4.2. The result showed that there was no significant difference between the model of dried leaves and that of the powders. However, the dried leaves NIR model reduces the unnecessary the steps of drying and grinding in the actual detection process, saving the time and reducing the workload.

Functional Near-Infrared Spectroscopy Brain Imaging Investigation of Phonological Awareness and Passage Comprehension Abilities in Adult Recipients of Cochlear Implants

Science.gov (United States)

Bisconti, Silvia; Shulkin, Masha; Hu, Xiaosu; Basura, Gregory J.; Kileny, Paul R.; Kovelman, Ioulia

2016-01-01

Purpose: The aim of this study was to examine how the brains of individuals with cochlear implants (CIs) respond to spoken language tasks that underlie successful language acquisition and processing. Method: During functional near-infrared spectroscopy imaging, CI recipients with hearing impairment (n = 10, mean age: 52.7 ± 17.3 years) and…

Recent advances in mid- and near-infrared spectroscopy with applications for research and teaching, focusing on petrochemistry and biotechnology relevant products

Science.gov (United States)

Heise, H. M.; Fritzsche, J.; Tkatsch, H.; Waag, F.; Karch, K.; Henze, K.; Delbeck, S.; Budde, J.

2013-11-01

Mid- and near-infrared spectroscopy is introduced as a versatile analytical method for characterizing liquid and solid chemicals as obtained from petrochemistry and biotechnology processes. Besides normal transmission measurements, special equipment with silver halide fiber-optic probes allowing efficient analysis based on mid-infrared attenuated total reflection, and an accessory for near-infrared diffuse reflection measurements, are presented. The latter technique can be used advantageously for powdered samples such as microalgae biomass and polysaccharides, as well as for different tissues such as meat samples. The advantages and disadvantages of both methods, which can be used for industrial process monitoring and chemical quality control applications, are discussed, and have been used in several research projects of BSc students within their degree course of bio- and nano-technologies of our University of Applied Sciences.

Recent advances in mid- and near-infrared spectroscopy with applications for research and teaching, focusing on petrochemistry and biotechnology relevant products

International Nuclear Information System (INIS)

Heise, H M; Fritzsche, J; Tkatsch, H; Waag, F; Karch, K; Henze, K; Delbeck, S; Budde, J

2013-01-01

Mid- and near-infrared spectroscopy is introduced as a versatile analytical method for characterizing liquid and solid chemicals as obtained from petrochemistry and biotechnology processes. Besides normal transmission measurements, special equipment with silver halide fiber-optic probes allowing efficient analysis based on mid-infrared attenuated total reflection, and an accessory for near-infrared diffuse reflection measurements, are presented. The latter technique can be used advantageously for powdered samples such as microalgae biomass and polysaccharides, as well as for different tissues such as meat samples. The advantages and disadvantages of both methods, which can be used for industrial process monitoring and chemical quality control applications, are discussed, and have been used in several research projects of BSc students within their degree course of bio- and nano-technologies of our University of Applied Sciences. (paper)

Long open-path measurements of greenhouse gases in air using near-infrared Fourier transform spectroscopy

Directory of Open Access Journals (Sweden)

D. W. T. Griffith

2018-03-01

Full Text Available In complex and urban environments, atmospheric trace gas composition is highly variable in time and space. Point measurement techniques for trace gases with in situ instruments are well established and accurate, but do not provide spatial averaging to compare against developing high-resolution atmospheric models of composition and meteorology with resolutions of the order of a kilometre. Open-path measurement techniques provide path average concentrations and spatial averaging which, if sufficiently accurate, may be better suited to assessment and interpretation with such models. Open-path Fourier transform spectroscopy (FTS in the mid-infrared region, and differential optical absorption spectroscopy (DOAS in the UV and visible, have been used for many years for open-path spectroscopic measurements of selected species in both clean air and in polluted environments. Near infrared instrumentation allows measurements over longer paths than mid-infrared FTS for species such as greenhouse gases which are not easily accessible to DOAS.In this pilot study we present the first open-path near-infrared (4000–10 000 cm−1, 1.0–2.5 µm FTS measurements of CO2, CH4, O2, H2O and HDO over a 1.5 km path in urban Heidelberg, Germany. We describe the construction of the open-path FTS system, the analysis of the collected spectra, several measures of precision and accuracy of the measurements, and the results a four-month trial measurement period in July–November 2014. The open-path measurements are compared to calibrated in situ measurements made at one end of the open path. We observe significant differences of the order of a few ppm for CO2 and a few tens of ppb for CH4 between the open-path and point measurements which are 2 to 4 times the measurement repeatability, but we cannot unequivocally assign the differences to specific local sources or sinks. We conclude that open-path FTS may provide a valuable new tool for investigations of

Correlation analysis between surface electromyography and continuous-wave near-infrared spectroscopy parameters during isometric exercise to volitional fatigue

OpenAIRE

ŞAYLİ, Ömer; AKIN, Ata; ÇOTUK, Hasan Birol

2014-01-01

In this study, the process of muscular fatigue was examined using surface electromyography (sEMG) and continuous-wave near-infrared spectroscopy (cw-NIRS) simultaneously during an isometric hand grip exercise at 50% and 75% of the maximal voluntary contraction (MVC), sustained until volitional fatigue. The mean frequency of the sEMG decreased during the whole exercise, whereas the root mean square had a tendency to increase. Oxyhemoglobin/deoxyhemoglobin concentration changes computed ...

Prefrontal responses to Stroop tasks in subjects with post-traumatic stress disorder assessed by functional near infrared spectroscopy

OpenAIRE

Yennu, Amarnath; Tian, Fenghua; Smith-Osborne, Alexa; J. Gatchel, Robert; Woon, Fu Lye; Liu, Hanli

2016-01-01

Studies on posttraumatic stress disorder (PTSD) showing attentional deficits have implicated abnormal activities in the frontal lobe. In this study, we utilized multichannel functional near-infrared spectroscopy (fNIRS) to investigate selective attention-related hemodynamic activity in the prefrontal cortex among 15 combat-exposed war-zone veterans with PTSD and 13 age- and gender-matched healthy controls. While performing the incongruent Stroop task, healthy controls showed significant activ...

Variety identification of brown sugar using short-wave near infrared spectroscopy and multivariate calibration

Science.gov (United States)

Yang, Haiqing; Wu, Di; He, Yong

2007-11-01

Near-infrared spectroscopy (NIRS) with the characteristics of high speed, non-destructiveness, high precision and reliable detection data, etc. is a pollution-free, rapid, quantitative and qualitative analysis method. A new approach for variety discrimination of brown sugars using short-wave NIR spectroscopy (800-1050nm) was developed in this work. The relationship between the absorbance spectra and brown sugar varieties was established. The spectral data were compressed by the principal component analysis (PCA). The resulting features can be visualized in principal component (PC) space, which can lead to discovery of structures correlative with the different class of spectral samples. It appears to provide a reasonable variety clustering of brown sugars. The 2-D PCs plot obtained using the first two PCs can be used for the pattern recognition. Least-squares support vector machines (LS-SVM) was applied to solve the multivariate calibration problems in a relatively fast way. The work has shown that short-wave NIR spectroscopy technique is available for the brand identification of brown sugar, and LS-SVM has the better identification ability than PLS when the calibration set is small.

An explorative chemometric approach applied to hyperspectral images for the study of illuminated manuscripts

Science.gov (United States)

Catelli, Emilio; Randeberg, Lise Lyngsnes; Alsberg, Bjørn Kåre; Gebremariam, Kidane Fanta; Bracci, Silvano

2017-04-01

Hyperspectral imaging (HSI) is a fast non-invasive imaging technology recently applied in the field of art conservation. With the help of chemometrics, important information about the spectral properties and spatial distribution of pigments can be extracted from HSI data. With the intent of expanding the applications of chemometrics to the interpretation of hyperspectral images of historical documents, and, at the same time, to study the colorants and their spatial distribution on ancient illuminated manuscripts, an explorative chemometric approach is here presented. The method makes use of chemometric tools for spectral de-noising (minimum noise fraction (MNF)) and image analysis (multivariate image analysis (MIA) and iterative key set factor analysis (IKSFA)/spectral angle mapper (SAM)) which have given an efficient separation, classification and mapping of colorants from visible-near-infrared (VNIR) hyperspectral images of an ancient illuminated fragment. The identification of colorants was achieved by extracting and interpreting the VNIR spectra as well as by using a portable X-ray fluorescence (XRF) spectrometer.

Near-infrared laboratory spectroscopy of mineral chemistry: A review

Science.gov (United States)

Meer, Freek van der

2018-03-01

Spectroscopy is the science concerned with the investigation and measurement of spectra produced when materials interacts with or emits electromagnetic radiation. Commercial infrared spectrometer were designed from the 1950's onward and found their way into the pharmaceutical and chemical industries. In the 1970's and 1980's also natural sciences notably mineralogy and vegetation science started systematically to measure optical properties of leaves and minerals/rocks with spectrometers. In the last decade spectroscopy has made the step from qualitative observations of mineral classes, soil type and vegetation biomass to quantitative estimates of mineral, soil and vegetation chemistry. This resulted in geothermometers used to characterize metamorphic and hydrothermal systems and to the advent of foliar biochemistry. More research is still needed to bridge the gap between laboratory spectroscopy and field spectroscopy. Empirical studies of minerals either as soil or rock constituents (and vegetation parameters) derived from regression analysis of spectra against chemistry is important in understanding the physics of the interaction of electromagnetic radiation and matter which in turn is important in the design of future satellite missions. Physics based models and retrievals are needed to operationalize these relationships and implement them in future earth observation missions as these are more robust and easy to transfer to other areas and data sets.

Near-Infrared Spectroscopic Study of Chlorite Minerals

Directory of Open Access Journals (Sweden)

Min Yang

2018-01-01

Full Text Available The mineral chemistry of twenty chlorite samples from the United States Geological Survey (USGS spectral library and two other regions, having a wide range of Fe and Mg contents and relatively constant Al and Si contents, was studied via infrared (IR spectroscopy, near-infrared (NIR spectroscopy, and X-ray fluorescence (XRF analysis. Five absorption features of the twenty samples near 4525, 4440, 4361, 4270, and 4182 cm−1 were observed, and two diagnostic features at 4440 and 4280 cm−1 were recognized. Assignments of the two diagnostic features were made for two combination bands (ν+δAlAlO−OH and ν+δSiAlO−OH by regression with IR fundamental absorptions. Furthermore, the determinant factors of the NIR band position were found by comparing the band positions with relative components. The results showed that Fe/(Fe + Mg values are negatively correlated with the two NIR combination bands. The findings provide an interpretation of the NIR band formation and demonstrate a simple way to use NIR spectroscopy to discriminate between chlorites with different components. More importantly, spectroscopic detection of mineral chemical variations in chlorites provides geologists with a tool with which to collect information on hydrothermal alteration zones from hyperspectral-resolution remote sensing data.

Screening experiments of ecstasy street samples using near infrared spectroscopy.

Science.gov (United States)

Sondermann, N; Kovar, K A

1999-12-20

Twelve different sets of confiscated ecstasy samples were analysed applying both near infrared spectroscopy in reflectance mode (1100-2500 nm) and high-performance liquid chromatography (HPLC). The sets showed a large variance in composition. A calibration data set was generated based on the theory of factorial designs. It contained 221 N-methyl-3,4-methylenedioxyamphetamine (MDMA) samples, 167 N-ethyl-3,4-methylenedioxyamphetamine (MDE), 111 amphetamine and 106 samples without a controlled substance, which will be called placebo samples thereafter. From this data set, PLS-1 models were calculated and were successfully applied for validation of various external laboratory test sets. The transferability of these results to confiscated tablets is demonstrated here. It is shown that differentiation into placebo, amphetamine and ecstasy samples is possible. Analysis of intact tablets is practicable. However, more reliable results are obtained from pulverised samples. This is due to ill-defined production procedures. The use of mathematically pretreated spectra improves the prediction quality of all the PLS-1 models studied. It is possible to improve discrimination between MDE and MDMA with the help of a second model based on raw spectra. Alternative strategies are briefly discussed.

Characterization of herbal powder blends homogeneity using near-infrared spectroscopy

Directory of Open Access Journals (Sweden)

Wenlong Li

2014-11-01

Full Text Available Homogeneity of powder blend is essential to obtain uniform contents for the tablets and capsules. Near-infrared (NIR spectroscopy with fiber-optic probe was used as an on-line technique for monitoring the homogeneity of pharmaceutical blend during the blending process instead of the traditional techniques, such as high performance liquid chromatograph (HPLC method. In this paper NIRS with a SabIR diffuse reflectance fiber-optic probe was used to monitor the blending process of coptis powder and lactose (excipient with different contents, and further qualitative methods, like similarity, moving block of standard deviation and mean square were used for calculation purposes with the collected spectra after the pretreatment of multiplicative signal correction (MSC and second derivative. Correlation spectrum was used for the wavelength selection. Four different coptis were blended with lactose separately to validate the proposed method, and the blending process of "liu wei di huang" pill was also simulated in bottles to verify this method on multiple herbal blends. The overall results suggest that NIRS is a simple, effective and noninvasive technique can be successfully applied to the determination of homogeneity in the herbal blend.

Anatomical guidance for functional near-infrared spectroscopy: AtlasViewer tutorial.

Science.gov (United States)

Aasted, Christopher M; Yücel, Meryem A; Cooper, Robert J; Dubb, Jay; Tsuzuki, Daisuke; Becerra, Lino; Petkov, Mike P; Borsook, David; Dan, Ippeita; Boas, David A

2015-04-01

Functional near-infrared spectroscopy (fNIRS) is an optical imaging method that is used to noninvasively measure cerebral hemoglobin concentration changes induced by brain activation. Using structural guidance in fNIRS research enhances interpretation of results and facilitates making comparisons between studies. AtlasViewer is an open-source software package we have developed that incorporates multiple spatial registration tools to enable structural guidance in the interpretation of fNIRS studies. We introduce the reader to the layout of the AtlasViewer graphical user interface, the folder structure, and user files required in the creation of fNIRS probes containing sources and detectors registered to desired locations on the head, evaluating probe fabrication error and intersubject probe placement variability, and different procedures for estimating measurement sensitivity to different brain regions as well as image reconstruction performance. Further, we detail how AtlasViewer provides a generic head atlas for guiding interpretation of fNIRS results, but also permits users to provide subject-specific head anatomies to interpret their results. We anticipate that AtlasViewer will be a valuable tool in improving the anatomical interpretation of fNIRS studies.

Rapid authentication of edible bird's nest by FTIR spectroscopy combined with chemometrics.

Science.gov (United States)

Guo, Lili; Wu, Yajun; Liu, Mingchang; Ge, Yiqiang; Chen, Ying

2018-06-01

Edible bird's nests (EBNs) have been traditionally regarded as a kind of medicinal and healthy food in China. For economic reasons, they are frequently subjected to adulteration with some cheaper substitutes, such as Tremella fungus, agar, fried pigskin, and egg white. As a kind of precious and functional product, it is necessary to establish a robust method for the rapid authentication of EBNs with small amounts of samples by simple processes. In this study, the Fourier transform infrared spectroscopy (FTIR) system was utilized and its feasibility for identification of EBNs was verified. FTIR spectra data of authentic and adulterated EBNs were analyzed by chemometrics analyses including principal component analysis, linear discriminant analysis (LDA), support vector machine (SVM) and one-class partial least squares (OCPLS). The results showed that the established LDA and SVM models performed well and had satisfactory classification ability, with the former 94.12% and the latter 100%. The OCPLS model was developed with prediction sensitivity of 0.937 and specificity of 0.886. Further detection of commercial EBN samples confirmed these results. FTIR is applicable in the scene of rapid authentication of EBNs, especially for quality supervision departments, entry-exit inspection and quarantine, and customs administration. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Analysis of Leucaena mimosine, Acacia tannins and total phenols by near infrared reflectance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Prasad, M N.V. [Hyderabad Univ. (India). Dept. of Plant Sciences

1995-11-01

The mimosine contents of Leucaena foliage, Acacia tannins and total phenols from leaf, bark and pod were analyzed by a near infrared relectance spectrophotometer (Compscan 3000). A calibration equation (linear summation regression) was developed with near infrared spectral analysis software, using 30 spectra from old and young leaves of Leucaena and 23 spectra from different samples of Acacia. The near infrared analyzer calculated that the percentages of mimosine, total phenols and tannins are closely comparable to laboratory results. (author)

Near Infrared High Resolution Spectroscopy and Spectro-astrometry of Gas in Disks around Herbig Ae/Be Stars

OpenAIRE

Brittain, Sean D.; Najita, Joan R.; Carr, John S.

2015-01-01

In this review, we describe how high resolution near infrared spectroscopy and spectro-astrometry have been used to study the disks around Herbig~Ae/Be stars. We show how these tools can be used to identify signposts of planet formation and elucidate the mechanism by which Herbig Ae/Be stars accrete. We also highlight some of the artifacts that can complicate the interpretation of spectro-astrometric measurements and discuss best practices for mitigating these effects. We conclude with a brie...

Monitoring tissue oxygen availability with near infrared spectroscopy (NIRS) in health and disease

DEFF Research Database (Denmark)

Boushel, Robert Christopher; Langberg, H; Olesen, J

2001-01-01

, brain and connective tissue, and more recently it has been used in the clinical setting to assess circulatory and metabolic abnormalities. Quantitative measures of blood flow are also possible using NIRS and a light-absorbing tracer, which can be applied to evaluate circulatory responses to exercise......Near infrared spectroscopy (NIRS) is becoming a widely used research instrument to measure tissue oxygen (O2) status non-invasively. Continuous-wave spectrometers are the most commonly used devices, which provide semi-quantitative changes in oxygenated and deoxygenated hemoglobin in small blood...... vessels (arterioles, capillaries and venules). Refinement of NIRS hardware and the algorithms used to deconvolute the light absorption signal have improved the resolution and validity of cytochrome oxidase measurements. NIRS has been applied to measure oxygenation in a variety of tissues including muscle...

Near-infrared spectroscopy for the determination of testosterone in thin-film composites.

Science.gov (United States)

Fountain, William; Dumstorf, Karen; Lowell, Amanda E; Lodder, Robert A; Mumper, Russell J

2003-09-19

More rapid, reproducible, and cost-effective methods to control product quality in the pharmaceutical industry continue to be a major emphasis, particularly with the FDA through its recent process analytical technologies (PAT) initiative. Many different methods have been used to determine the stability and content uniformity of a drug in various dosage forms; however, most of these methods include the destruction of the sample. Therefore, the development of nondestructive methods that allow the analysis of each individual dosage form has become the basis of much research. A new assay for the nondestructive determination of testosterone content in mucoadhesive bi-layer thin-film composites (TFCs) using near-infrared spectroscopy (NIR) was developed. Five sets of the circular films (n=5) with theoretical testosterone content of 0, 1, 2, 3, and 4 mg per 3/8th in. diameter disks were scanned in the near-infrared region of 1100-2500 nm to determine testosterone content. The NIR results were directly compared with those obtained using a previously developed ultraviolet assay for testosterone at 240 nm. Principal component regression (PCR) was performed to calibrate the NIR assay. This correlation produced r2=0.99 with a standard error of estimate (SEE)=0.18 mg, and a standard error of performance (SEP)=0.18 on cross validation with an equal number of samples (F test passed at P=0.05). Though the UV assay showed a slightly better r2 value, the NIR assay was much quicker, easier, and nondestructive. Therefore, the NIR assay may have significant potential for use in the quality control of pharmaceutical films containing drugs.

Near-Infrared Spectroscopy-Based Frontal Lobe Neurofeedback Integrated in Virtual Reality Modulates Brain and Behavior in Highly Impulsive Adults

OpenAIRE

Hudak, Justin; Blume, Friederike; Dresler, Thomas; Haeussinger, Florian B.; Renner, Tobias J.; Fallgatter, Andreas J.; Gawrilow, Caterina; Ehlis, Ann-Christine

2017-01-01

Based on neurofeedback (NF) training as a neurocognitive treatment in attention-deficit/hyperactivity disorder (ADHD), we designed a randomized, controlled functional near-infrared spectroscopy (fNIRS) NF intervention embedded in an immersive virtual reality classroom in which participants learned to control overhead lighting with their dorsolateral prefrontal brain activation. We tested the efficacy of the intervention on healthy adults displaying high impulsivity as a sub-clinical populatio...

Principle And Practice Of Instrumental Analysis

International Nuclear Information System (INIS)

Kim, Chong Il; Kim, Chang Gyo; Oh, Yong Taek

2010-03-01

This book gives descriptions of instrumental analysis, which includes quantum physics and chemical foundation with Bohr's adatom model and structure of an electron of atom and the periodic table, analytical theory on analytical chemistry and chemometrics, measurement uncertainty and probability and statistics, state of crystalline materials, structure of crystalline materials, spectroscopy, like infrared spectroscopy and near infrared spectroscopy, electro spectroscopy, mass spectroscopy and Atomic spectroscopy.

Feasibility of field portable near infrared (NIR) spectroscopy to determine cyanide concentrations in soil

Science.gov (United States)

Sut, Magdalena; Fischer, Thomas; Repmann, Frank; Raab, Thomas

2013-04-01

In Germany, at more than 1000 sites, soil is polluted with an anthropogenic contaminant in form of iron-cyanide complexes. These contaminations are caused by former Manufactured Gas Plants (MGPs), where electricity for lighting was produced in the process of coal gasification. The production of manufactured gas was restrained in 1950, which caused cessation of MGPs. Our study describes the application of Polychromix Handheld Field Portable Near-Infrared (NIR) Analyzer to predict the cyanide concentrations in soil. In recent times, when the soil remediation is of major importance, there is a need to develop rapid and non-destructive methods for contaminant determination in the field. In situ analysis enables determination of 'hot spots', is cheap and time saving in comparison to laboratory methods. This paper presents a novel usage of NIR spectroscopy, where a calibration model was developed, using multivariate calibration algorithms, in order to determine NIR spectral response to the cyanide concentration in soil samples. As a control, the contaminant concentration was determined using conventional Flow Injection Analysis (FIA). The experiments revealed that portable near-infrared spectrometers could be a reliable device for identification of contamination 'hot spots', where cyanide concentration are higher than 2400 mg kg-1 in the field and >1750 mg kg-1 after sample preparation in the laboratory, but cannot replace traditional laboratory analyses due to high limits of detection.

Trainability of hemodynamic parameters: A near-infrared spectroscopy based neurofeedback study.

Science.gov (United States)

Kober, Silvia Erika; Hinterleitner, Vanessa; Bauernfeind, Günther; Neuper, Christa; Wood, Guilherme

2018-05-18

We investigated the trainability of the hemodynamic response as assessed with near-infrared spectroscopy (NIRS) during one neurofeedback (NF) session. Forty-eight participants were randomly assigned to four different groups that tried to either increase or decrease oxygenated (oxy-Hb) or deoxygenated hemoglobin (deoxy-Hb) over the inferior frontal gyrus during imagery of swallowing movements. Deoxy-Hb could be successfully up-regulated while oxy-Hb could be successfully down-regulated during NF. Participants were not able to down-regulate deoxy-Hb or to up-regulate oxy-Hb. These results show that the natural course of oxy- and deoxy-Hb during movement imagery can be reinforced by providing real-time feedback of the corresponding NIRS parameter since deoxy-Hb generally increases and oxy-Hb decreases during imagery of swallowing. Furthermore, signal-to-noise ratio of deoxy-Hb but not of oxy-Hb improved during training. Our results provide new insights into the trainability of the hemodynamic response as assessed with NIRS and have an impact on the application of NIRS-based real-time feedback. Copyright © 2018 Elsevier B.V. All rights reserved.

Metabolic inflexibility in individuals with obesity assessed by near-infrared spectroscopy.

Science.gov (United States)

Soares, Rogério Nogueira; Reimer, Raylene A; Doyle-Baker, Patricia K; Murias, Juan M

2017-11-01

To non-invasively evaluate differences in oxidative metabolism in individuals with obesity compared to normal weight using the near-infrared spectroscopy and vascular occlusion technique during hyperglycaemia. In all, 16 normal-weight individuals (body mass index: 21.3 ± 1.7 kg/m 2 ) and 13 individuals with obesity (body mass index: 34.4 ± 2.0 kg/m 2 ) had five vascular occlusion tests (pre, 30, 60, 90 and 120 min after glucose ingestion). Oxygen utilization was estimated from the area under the curve of the deoxyhemoglobin [HHb] signal during occlusion. Muscle reperfusion was derived from the area above the curve after cuff release. The deoxyhemoglobin area under the curve during occlusion of the normal-weight individuals increased from 15,732 ± 2344 (% . s) at pre to 18,930 ± 3226 (% . s) ( p obesity. This study confirmed in vivo and non-invasively the metabolic inflexibility of skeletal muscle in individuals with obesity during hyperglycaemia.

Imaging Brain Function with Functional Near-Infrared Spectroscopy in Unconstrained Environments

Directory of Open Access Journals (Sweden)

Joana B. Balardin

2017-05-01

Full Text Available Assessing the neural correlates of motor and cognitive processes under naturalistic experimentation is challenging due to the movement constraints of traditional brain imaging technologies. The recent advent of portable technologies that are less sensitive to motion artifacts such as Functional Near Infrared Spectroscopy (fNIRS have been made possible the study of brain function in freely-moving participants. In this paper, we describe a series of proof-of-concept experiments examining the potential of fNIRS in assessing the neural correlates of cognitive and motor processes in unconstrained environments. We show illustrative applications for practicing a sport (i.e., table tennis, playing a musical instrument (i.e., piano and violin alone or in duo and performing daily activities for many hours (i.e., continuous monitoring. Our results expand upon previous research on the feasibility and robustness of fNIRS to monitor brain hemodynamic changes in different real life settings. We believe that these preliminary results showing the flexibility and robustness of fNIRS measurements may contribute by inspiring future work in the field of applied neuroscience.

Continuous correction of differential path length factor in near-infrared spectroscopy.

Science.gov (United States)

Talukdar, Tanveer; Moore, Jason H; Diamond, Solomon G

2013-05-01

In continuous-wave near-infrared spectroscopy (CW-NIRS), changes in the concentration of oxyhemoglobin and deoxyhemoglobin can be calculated by solving a set of linear equations from the modified Beer-Lambert Law. Cross-talk error in the calculated hemodynamics can arise from inaccurate knowledge of the wavelength-dependent differential path length factor (DPF). We apply the extended Kalman filter (EKF) with a dynamical systems model to calculate relative concentration changes in oxy- and deoxyhemoglobin while simultaneously estimating relative changes in DPF. Results from simulated and experimental CW-NIRS data are compared with results from a weighted least squares (WLSQ) method. The EKF method was found to effectively correct for artificially introduced errors in DPF and to reduce the cross-talk error in simulation. With experimental CW-NIRS data, the hemodynamic estimates from EKF differ significantly from the WLSQ (p EKF method compared to WLSQ in three physiologically relevant spectral bands 0.04 to 0.15 Hz, 0.15 to 0.4 Hz and 0.4 to 2.0 Hz (p EKF method.

Detection of compatibility between baclofen and excipients with aid of infrared spectroscopy and chemometry.

Science.gov (United States)

Rojek, Barbara; Wesolowski, Marek; Suchacz, Bogdan

2013-12-01

In the paper infrared (IR) spectroscopy and multivariate exploration techniques: principal component analysis (PCA) and cluster analysis (CA) were applied as supportive methods for the detection of physicochemical incompatibilities between baclofen and excipients. In the course of research, the most useful rotational strategy in PCA proved to be varimax normalized, while in CA Ward's hierarchical agglomeration with Euclidean distance measure enabled to yield the most interpretable results. Chemometrical calculations confirmed the suitability of PCA and CA as the auxiliary methods for interpretation of infrared spectra in order to recognize whether compatibilities or incompatibilities between active substance and excipients occur. On the basis of IR spectra and the results of PCA and CA it was possible to demonstrate that the presence of lactose, β-cyclodextrin and meglumine in binary mixtures produce interactions with baclofen. The results were verified using differential scanning calorimetry, differential thermal analysis, thermogravimetry/differential thermogravimetry and X-ray powder diffraction analyses. Copyright © 2013 Elsevier B.V. All rights reserved.

Discrimination of mineral waters using near infrared spectroscopy and aquaphotomics

Directory of Open Access Journals (Sweden)

Munćan Jelena S.

2014-01-01

Full Text Available Despite that water is one of the most studied materials today its dynamic properties are still not well understood. Water state in human organism is of high importance for normal healthy functioning of human body. Different kinds of water are usually classified according to its present solutes, and concentrations of these solutes, but though it is known that water molecules can form clusters around present solutes, classification of waters based on types of water molecular organization and present clusters is not present in current literature. In this study we used multivariate analysis for classification of commercial mineral waters based on their near infrared spectra (NIR. Further, we applied Aquaphotomics, a new approach for interpretation of near infrared spectra of water, which gives insight into organization of water molecules in each of these waters.

Non-neuronal evoked and spontaneous hemodynamic changes in the anterior temporal region of the human head may lead to misinterpretations of functional near-infrared spectroscopy signals.

Science.gov (United States)

Zimeo Morais, Guilherne Augusto; Scholkmann, Felix; Balardin, Joana Bisol; Furucho, Rogério Akira; de Paula, Renan Costa Vieira; Biazoli, Claudinei Eduardo; Sato, João Ricardo

2018-01-01

Several functional near-infrared spectroscopy (fNIRS) studies report their findings based on changes of a single chromophore, usually concentration changes of oxygenated hemoglobin ([[Formula: see text

FTIR characterization of Mexican honey and its adulteration with sugar syrups by using chemometric methods

Energy Technology Data Exchange (ETDEWEB)

Rios-Corripio, M A; Rojas-Lopez, M; Delgado-Macuil, R [CIBA-Tlaxcala, IPN, Tlaxcala, Tlax. (Mexico); Rios-Leal, E [CINVESTAV, Zacatenco, Mexico D.F. (Mexico)

2011-01-01

A chemometric analysis of adulteration of Mexican honey by sugar syrups such as corn syrup and cane sugar syrup was realized. Fourier transform infrared spectroscopy (FTIR) was used to measure the absorption of a group of bee honey samples from central region of Mexico. Principal component analysis (PCA) was used to process FTIR spectra to determine the adulteration of bee honey. In addition to that, the content of individual sugars from honey samples: glucose, fructose, sucrose and monosaccharides was determined by using PLS-FTIR analysis validated by HPLC measurements. This analytical methodology which is based in infrared spectroscopy and chemometry can be an alternative technique to characterize and also to determine the purity and authenticity of nutritional products as bee honey and other natural products.

Near-infrared spectroscopy for process and substrate supervision of a full-scale biogas plant

Energy Technology Data Exchange (ETDEWEB)

Jacobi, Hans Fabian

2012-07-01

Aim of this study was to investigate the possible use of near-infrared spectroscopy in the supervision of the biogas production process or parts thereof. It was examined, whether the surveillance of (a) the process and (b) substrate was feasible. The following tasks were accomplished to this end: 1. Development, construction and assembly of suitable NIRS-metrology, development of proper control-software as well as of strategies for data acquisition and data handling, 2. calculation and validation of regression models on the basis of acquired spectra and reference data for (a) suitable parameters of the biogas process, (b) composition and biogas potential of the substrate, 3. calculation of continuous time series of all parameters in order to prove the possibility of continuous surveillance, 4. integrated processing of continuously calculated biogas potentials together with plant data for the prediction of the biogas production behavior of the biogas plant. A near-infrared spectrometer was installed and equipped with NIR-measuring heads of own design and construction on a full-scale agricultural biogas plant. For 500 days spectra were continuously logged at (a) a pipe flowed through by fermenter slurry and (b) the feeding station, where silage passed. Based on regularly withdrawn reference samples and the corresponding spectra regression models were calibrated for the several constituents. Continuously logged spectra were used to calculate time series with the aid of the regression models for each constituent. Models and time series were established for the following parameters: (a) process parameters: volatile fatty acids, acetic acid, propionic acid, dry matter, volatile solids; (b) substrate parameters: dry matter, volatile solids, crude fiber, crude fat, crude protein, nitrogen-free extracts, experimentally assessed biogas potential, theoretically assessed biogas potential. Despite the partially low quality of the models it was possible to follow the course of

Validation of a high-power, time-resolved, near-infrared spectroscopy system for measurement of superficial and deep muscle deoxygenation during exercise.

Science.gov (United States)

Koga, Shunsaku; Barstow, Thomas J; Okushima, Dai; Rossiter, Harry B; Kondo, Narihiko; Ohmae, Etsuko; Poole, David C

2015-06-01

Near-infrared assessment of skeletal muscle is restricted to superficial tissues due to power limitations of spectroscopic systems. We reasoned that understanding of muscle deoxygenation may be improved by simultaneously interrogating deeper tissues. To achieve this, we modified a high-power (∼8 mW), time-resolved, near-infrared spectroscopy system to increase depth penetration. Precision was first validated using a homogenous optical phantom over a range of inter-optode spacings (OS). Coefficients of variation from 10 measurements were minimal (0.5-1.9%) for absorption (μa), reduced scattering, simulated total hemoglobin, and simulated O2 saturation. Second, a dual-layer phantom was constructed to assess depth sensitivity, and the thickness of the superficial layer was varied. With a superficial layer thickness of 1, 2, 3, and 4 cm (μa = 0.149 cm(-1)), the proportional contribution of the deep layer (μa = 0.250 cm(-1)) to total μa was 80.1, 26.9, 3.7, and 0.0%, respectively (at 6-cm OS), validating penetration to ∼3 cm. Implementation of an additional superficial phantom to simulate adipose tissue further reduced depth sensitivity. Finally, superficial and deep muscle spectroscopy was performed in six participants during heavy-intensity cycle exercise. Compared with the superficial rectus femoris, peak deoxygenation of the deep rectus femoris (including the superficial intermedius in some) was not significantly different (deoxyhemoglobin and deoxymyoglobin concentration: 81.3 ± 20.8 vs. 78.3 ± 13.6 μM, P > 0.05), but deoxygenation kinetics were significantly slower (mean response time: 37 ± 10 vs. 65 ± 9 s, P ≤ 0.05). These data validate a high-power, time-resolved, near-infrared spectroscopy system with large OS for measuring the deoxygenation of deep tissues and reveal temporal and spatial disparities in muscle deoxygenation responses to exercise. Copyright © 2015 the American Physiological Society.

Identifying Cortical Lateralization of Speech Processing in Infants Using Near-Infrared Spectroscopy

Science.gov (United States)

Bortfeld, Heather; Fava, Eswen; Boas, David A.

2010-01-01

We investigate the utility of near-infrared spectroscopy (NIRS) as an alternative technique for studying infant speech processing. NIRS is an optical imaging technology that uses relative changes in total hemoglobin concentration and oxygenation as an indicator of neural activation. Procedurally, NIRS has the advantage over more common methods (e.g., fMRI) in that it can be used to study the neural responses of behaviorally active infants. Older infants (aged 6–9 months) were allowed to sit on their caretakers’ laps during stimulus presentation to determine relative differences in focal activity in the temporal region of the brain during speech processing. Results revealed a dissociation of sensory-specific processing in two cortical regions, the left and right temporal lobes. These findings are consistent with those obtained using other neurophysiological methods and point to the utility of NIRS as a means of establishing neural correlates of language development in older (and more active) infants. PMID:19142766

Assessing soil carbon lability by near infrared spectroscopy and NaOCL oxidation

DEFF Research Database (Denmark)

Thomsen, Ingrid Kaag; Bruun, Sander; Jensen, Lars Stoumann

2009-01-01

The feasibility of near infrared (NIR) spectroscopy for quantifying labile organic matter (OM) in arable soils and for predicting soil refractory OM fractions was tested on 37 soils varying in texture and soil carbon (C) content. Three sets of arable soils (0-20 cm depth) were sampled from 1) long......-term field experiments with different OM inputs, 2) individual sites with inherent with-in field gradients in soil texture and/or C content, and 3) from a range of different sites covering variations in management and geological origin. The labile OM fraction was defined by the CO2 evolved from the soils...... incubated for 34 weeks while refractory OM was obtained by NaOCl oxidation. The labile fraction of the soil C accounted for 2-12% of the total soil C content. No systematic relationship between labile C content and total soil C or clay was found, but NIR spectra could be correlated well with the labile C...

Near-infrared spectroscopy monitoring and control of the fluidized bed granulation and coating processes-A review.

Science.gov (United States)

Liu, Ronghua; Li, Lian; Yin, Wenping; Xu, Dongbo; Zang, Hengchang

2017-09-15

The fluidized bed granulation and pellets coating technologies are widely used in pharmaceutical industry, because the particles made in a fluidized bed have good flowability, compressibility, and the coating thickness of pellets are homogeneous. With the popularization of process analytical technology (PAT), real-time analysis for critical quality attributes (CQA) was getting more attention. Near-infrared (NIR) spectroscopy, as a PAT tool, could realize the real-time monitoring and control during the granulating and coating processes, which could optimize the manufacturing processes. This article reviewed the application of NIR spectroscopy in CQA (moisture content, particle size and tablet/pellet thickness) monitoring during fluidized bed granulation and coating processes. Through this review, we would like to provide references for realizing automated control and intelligent production in fluidized bed granulation and pellets coating of pharmaceutical industry. Copyright © 2017 Elsevier B.V. All rights reserved.

Identification of syrup type using fourier transform-near infrared spectroscopy with multivariate classification methods

Directory of Open Access Journals (Sweden)

Ravipat Lapcharoensuk

2018-03-01

Full Text Available This research aimed to establish near infrared (NIR spectroscopy models for identification of syrup types in which the maple syrup was discriminated from other syrup types. Thirty syrup types were used in this research; the NIR spectra of each type were recorded with 10 replicates. The repeatability and reproducibility of NIR scanning were performed, and the absorbance at 6940cm−1 was used for calculation. Principal component analysis was used to group the syrup type. Identification models were developed by soft independent modeling by class analogy (SIMCA and partial least-squares discriminant analysis (PLS-DA. The SIMCA models of all syrup types exhibited accuracy percentage of 93.3–100% for identifying syrup types, whereas maple syrup discrimination models showed percentage of accuracy between 83.2% and 100%. The PLS-DA technique gave the accuracy of syrup types classification between 96.6% and 100% and presented ability on discrimination of maple syrup form other types of syrup with accuracy of 100%. The finding presented the potential of NIR spectroscopy for the syrup type identification.

A Brief Review on the Use of Functional Near-Infrared Spectroscopy (fNIRS) for Language Imaging Studies in Human Newborns and Adults

Science.gov (United States)

Quaresima, Valentina; Bisconti, Silvia; Ferrari, Marco

2012-01-01

Upon stimulation, real time maps of cortical hemodynamic responses can be obtained by non-invasive functional near-infrared spectroscopy (fNIRS) which measures changes in oxygenated and deoxygenated hemoglobin after positioning multiple sources and detectors over the human scalp. The current commercially available transportable fNIRS systems have…

Near-infrared turbidity of β-FeOOH particle suspensions

International Nuclear Information System (INIS)

Berdahl, P.; Espinoza, L. H.; Littlejohn, D.; Lucas, D.; Perry, D. L.

2000-01-01

Near-infrared transmission spectroscopy can be complicated by the light scattering from heterogeneous materials. For the examination of an evolving system exhibiting such light scattering, transmission spectra near wavenumber ν=10 4 cm -1 were obtained during the hydrolysis of FeCl 3 solutions. At first, the resulting turbid suspension of cigar-shaped β-FeOOH particles exhibits single-particle scattering, including a Rayleigh regime (attenuation∝ν 4 ). At later times, the scattering increases strongly as the particles aggregate, and becomes proportional to ν α , with α≅2, consistent with scattering models that interpret the structure of aggregates in terms of a fractal dimension d f roughly equal to 2. In all cases investigated, the attenuation due to scattering is spectrally smooth and increases monotonically with wavenumber. It can be written in the simple form ν α with 1≤α≤4. While over limited spectral ranges α may be taken independent of ν, over wide ranges it decreases with increasing ν. This behavior is consistent with the theoretical limits of α=4 at ν=0, and α=0 at ν=∞. Overall, the results suggest that a useful form for simulating scattering backgrounds in near-infrared spectroscopy is Aν α , with A and α fitted constants. (c) 2000 Society for Applied Spectroscopy

Embedded clusters in NGC1808 central starburst - Near-infrared imaging and spectroscopy

OpenAIRE

Galliano, E.; Alloin, D.

2008-01-01

In the course of a mid-infrared imaging campaign of close-by active galaxies, we discovered the mid-infrared counterparts of bright compact radio sources in the central star-forming region of NGC1808. We aim at confirming that these sources are deeply embedded, young star clusters and at deriving some of their intrinsic properties. To complement the mid-infrared data, we have collected a set of near-infrared data with ISAAC at the VLT: J, Ks, and L' images, as well as low-resolution, long-sli...

Algorithm for removing scalp signals from functional near-infrared spectroscopy signals in real time using multidistance optodes.

Science.gov (United States)

Kiguchi, Masashi; Funane, Tsukasa

2014-11-01

A real-time algorithm for removing scalp-blood signals from functional near-infrared spectroscopy signals is proposed. Scalp and deep signals have different dependencies on the source-detector distance. These signals were separated using this characteristic. The algorithm was validated through an experiment using a dynamic phantom in which shallow and deep absorptions were independently changed. The algorithm for measurement of oxygenated and deoxygenated hemoglobins using two wavelengths was explicitly obtained. This algorithm is potentially useful for real-time systems, e.g., brain-computer interfaces and neuro-feedback systems.

Near-Field Spectroscopy with Nanoparticles Deposited by AFM

Science.gov (United States)

Anderson, Mark S.

2008-01-01

An alternative approach to apertureless near-field optical spectroscopy involving an atomic-force microscope (AFM) entails less complexity of equipment than does a prior approach. The alternative approach has been demonstrated to be applicable to apertureless near-field optical spectroscopy of the type using an AFM and surface enhanced Raman scattering (SERS), and is expected to be equally applicable in cases in which infrared or fluorescence spectroscopy is used. Apertureless near-field optical spectroscopy is a means of performing spatially resolved analyses of chemical compositions of surface regions of nanostructured materials. In apertureless near-field spectroscopy, it is common practice to utilize nanostructured probe tips or nanoparticles (usually of gold) having shapes and dimensions chosen to exploit plasmon resonances so as to increase spectroscopic-signal strengths. To implement the particular prior approach to which the present approach is an alternative, it is necessary to integrate a Raman spectrometer with an AFM and to utilize a special SERS-active probe tip. The resulting instrumentation system is complex, and the tasks of designing and constructing the system and using the system to acquire spectro-chemical information from nanometer-scale regions on a surface are correspondingly demanding.

Sensitivity of near-infrared spectroscopy and diffuse correlation spectroscopy to brain hemodynamics: simulations and experimental findings during hypercapnia.

Science.gov (United States)

Selb, Juliette; Boas, David A; Chan, Suk-Tak; Evans, Karleyton C; Buckley, Erin M; Carp, Stefan A

2014-07-01

Near-infrared spectroscopy (NIRS) and diffuse correlation spectroscopy (DCS) are two diffuse optical technologies for brain imaging that are sensitive to changes in hemoglobin concentrations and blood flow, respectively. Measurements for both modalities are acquired on the scalp, and therefore hemodynamic processes in the extracerebral vasculature confound the interpretation of cortical hemodynamic signals. The sensitivity of NIRS to the brain versus the extracerebral tissue and the contrast-to-noise ratio (CNR) of NIRS to cerebral hemodynamic responses have been well characterized, but the same has not been evaluated for DCS. This is important to assess in order to understand their relative capabilities in measuring cerebral physiological changes. We present Monte Carlo simulations on a head model that demonstrate that the relative brain-to-scalp sensitivity is about three times higher for DCS (0.3 at 3 cm) than for NIRS (0.1 at 3 cm). However, because DCS has higher levels of noise due to photon-counting detection, the CNR is similar for both modalities in response to a physiologically realistic simulation of brain activation. Even so, we also observed higher CNR of the hemodynamic response during graded hypercapnia in adult subjects with DCS than with NIRS.

Analysis of Selected Properties of Fibreboard Panels Manufactured from Wood and Leather Using the Near Infrared Spectroscopy

Directory of Open Access Journals (Sweden)

Kerstin Wagner

2015-01-01

Full Text Available This paper deals with the characterization of the properties of wood fibres leather shavings composite board by using the near infrared spectroscopy (NIRS and multivariate data analysis. In this study fibreboards were manufactured with different leather amounts by using spruce fibres, as well as vegetable and mineral tanned leather shavings (wet white and wet blue. The NIR spectroscopy was used to analyse the raw materials as well as the wood leather fibreboards. Moreover, the physical and mechanical features of the wood leather composite fibreboards were determined to characterize their properties for the further data analysis. The NIR spectra were analysed by univariate and multivariate methods using the Principal Component Analysis (PCA and the Partial Least Squares Regression (PLSR method. These results demonstrate the potential of FT-NIR spectroscopy to estimate the physical and mechanical properties (e.g., bending strength. This phenomenon provides a possibility for quality assurance systems by using the NIRS.

Non-Destructive Evaluation of the Leaf Nitrogen Concentration by In-Field Visible/Near-Infrared Spectroscopy in Pear Orchards

Directory of Open Access Journals (Sweden)

Jie Wang

2017-03-01

Full Text Available Non-destructive and timely determination of leaf nitrogen (N concentration is urgently needed for N management in pear orchards. A two-year field experiment was conducted in a commercial pear orchard with five N application rates: 0 (N0, 165 (N1, 330 (N2, 660 (N3, and 990 (N4 kg·N·ha−1. The mid-portion leaves on the year’s shoot were selected for the spectral measurement first and then N concentration determination in the laboratory at 50 and 80 days after full bloom (DAB. Three methods of in-field spectral measurement (25° bare fibre under solar conditions, black background attached to plant probe, and white background attached to plant probe were compared. We also investigated the modelling performances of four chemometric techniques (principal components regression, PCR; partial least squares regression, PLSR; stepwise multiple linear regression, SMLR; and back propagation neural network, BPNN and three vegetation indices (difference spectral index, normalized difference spectral index, and ratio spectral index. Due to the low correlation of reflectance obtained by the 25° field of view method, all of the modelling was performed on two spectral datasets—both acquired by a plant probe. Results showed that the best modelling and prediction accuracy were found in the model established by PLSR and spectra measured with a black background. The randomly-separated subsets of calibration (n = 1000 and validation (n = 420 of this model resulted in high R2 values of 0.86 and 0.85, respectively, as well as a low mean relative error (<6%. Furthermore, a higher coefficient of determination between the leaf N concentration and fruit yield was found at 50 DAB samplings in both 2015 (R2 = 0.77 and 2014 (R2 = 0.59. Thus, the leaf N concentration was suggested to be determined at 50 DAB by visible/near-infrared spectroscopy and the threshold should be 24–27 g/kg.

Precision of coherence analysis to detect cerebral autoregulation by near-infrared spectroscopy in preterm infants

DEFF Research Database (Denmark)

Hahn, GH; Christensen, KB; Leung, TS

2010-01-01

Coherence between spontaneous fluctuations in arterial blood pressure (ABP) and the cerebral near-infrared spectroscopy signal can detect cerebral autoregulation. Because reliable measurement depends on signals with high signal-to-noise ratio, we hypothesized that coherence is more precisely...... determined when fluctuations in ABP are large rather than small. Therefore, we investigated whether adjusting for variability in ABP (variabilityABP) improves precision. We examined the impact of variabilityABP within the power spectrum in each measurement and between repeated measurements in preterm infants....... We also examined total monitoring time required to discriminate among infants with a simulation study. We studied 22 preterm infants (GAABP within the power spectrum did not improve the precision. However, adjusting...

Crop/weed discrimination using near-infrared reflectance spectroscopy (NIRS)

Science.gov (United States)

Zhang, Yun; He, Yong

2006-09-01

The traditional uniform herbicide application often results in an over chemical residues on soil, crop plants and agriculture produce, which have imperiled the environment and food security. Near-infrared reflectance spectroscopy (NIRS) offers a promising means for weed detection and site-specific herbicide application. In laboratory, a total of 90 samples (30 for each species) of the detached leaves of two weeds, i.e., threeseeded mercury (Acalypha australis L.) and fourleafed duckweed (Marsilea quadrfolia L.), and one crop soybean (Glycine max) was investigated for NIRS on 325- 1075 nm using a field spectroradiometer. 20 absorbance samples of each species after pretreatment were exported and the lacked Y variables were assigned independent values for partial least squares (PLS) analysis. During the combined principle component analysis (PCA) on 400-1000 nm, the PC1 and PC2 could together explain over 91% of the total variance and detect the three plant species with 98.3% accuracy. The full-cross validation results of PLS, i.e., standard error of prediction (SEP) 0.247, correlation coefficient (r) 0.954 and root mean square error of prediction (RMSEP) 0.245, indicated an optimum model for weed identification. By predicting the remaining 10 samples of each species in the PLS model, the results with deviation presented a 100% crop/weed detection rate. Thus, it could be concluded that PLS was an available alternative of for qualitative weed discrimination on NTRS.

Quantitative analysis of bayberry juice acidity based on visible and near-infrared spectroscopy

International Nuclear Information System (INIS)

Shao Yongni; He Yong; Mao Jingyuan

2007-01-01

Visible and near-infrared (Vis/NIR) reflectance spectroscopy has been investigated for its ability to nondestructively detect acidity in bayberry juice. What we believe to be a new, better mathematic model is put forward, which we have named principal component analysis-stepwise regression analysis-backpropagation neural network (PCA-SRA-BPNN), to build a correlation between the spectral reflectivity data and the acidity of bayberry juice. In this model, the optimum network parameters,such as the number of input nodes, hidden nodes, learning rate, and momentum, are chosen by the value of root-mean-square (rms) error. The results show that its prediction statistical parameters are correlation coefficient (r) of 0.9451 and root-mean-square error of prediction(RMSEP) of 0.1168. Partial least-squares (PLS) regression is also established to compare with this model. Before doing this, the influences of various spectral pretreatments (standard normal variate, multiplicative scatter correction, S. Golay first derivative, and wavelet package transform) are compared. The PLS approach with wavelet package transform preprocessing spectra is found to provide the best results, and its prediction statistical parameters are correlation coefficient (r) of 0.9061 and RMSEP of 0.1564. Hence, these two models are both desirable to analyze the data from Vis/NIR spectroscopy and to solve the problem of the acidity prediction of bayberry juice. This supplies basal research to ultimately realize the online measurements of the juice's internal quality through this Vis/NIR spectroscopy technique

Characterization of sildenafil citrate tablets of different sources by near infrared chemical imaging and chemometric tools.

Science.gov (United States)

Sabin, Guilherme P; Lozano, Valeria A; Rocha, Werickson F C; Romão, Wanderson; Ortiz, Rafael S; Poppi, Ronei J

2013-11-01

The chemical imaging technique by near infrared spectroscopy was applied for characterization of formulations in tablets of sildenafil citrate of six different sources. Five formulations were provided by Brazilian Federal Police and correspond to several trademarks of prohibited marketing and one was an authentic sample of Viagra. In a first step of the study, multivariate curve resolution was properly chosen for the estimation of the distribution map of concentration of the active ingredient in tablets of different sources, where the chemical composition of all excipients constituents was not truly known. In such cases, it is very difficult to establish an appropriate calibration technique, so that only the information of sildenafil is considered independently of the excipients. This determination was possible only by reaching the second-order advantage, where the analyte quantification can be performed in the presence of unknown interferences. In a second step, the normalized histograms of images from active ingredient were grouped according to their similarities by hierarchical cluster analysis. Finally it was possible to recognize the patterns of distribution maps of concentration of sildenafil citrate, distinguishing the true formulation of Viagra. This concept can be used to improve the knowledge of industrial products and processes, as well as, for characterization of counterfeit drugs. Copyright © 2013. Published by Elsevier B.V.

The nature of extreme emission line galaxies at z = 1-2: kinematics and metallicities from near-infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Maseda, Michael V.; Van der Wel, Arjen; Rix, Hans-Walter; Da Cunha, Elisabete; Meidt, Sharon E. [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117 Heidelberg (Germany); Pacifici, Camilla [Yonsei University Observatory, Yonsei University, Seoul 120-749 (Korea, Republic of); Momcheva, Ivelina; Van Dokkum, Pieter; Nelson, Erica J. [Department of Astronomy, Yale University, New Haven, CT 06520 (United States); Brammer, Gabriel B.; Ferguson, Henry C.; Koekemoer, Anton M. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Franx, Marijn; Fumagalli, Mattia [Leiden Observatory, Leiden University, Leiden (Netherlands); Bell, Eric F. [Department of Astronomy, University of Michigan, 500 Church Street, Ann Arbor, MI 48109 (United States); Förster-Schreiber, Natascha M. [Max-Planck-Institut für extraterrestrische Physik, Giessenbachstrasse 1, D-85748 Garching (Germany); Koo, David C. [UCO/Lick Observatory and Department of Astronomy and Astrophysics, University of California Santa Cruz, 1156 High Street, Santa Cruz, CA 95064 (United States); Lundgren, Britt F. [Department of Astronomy, University of Wisconsin, 475 North Charter Street, Madison, WI 53706 (United States); Marchesini, Danilo [Physics and Astronomy Department, Tufts University, Robinson Hall, Room 257, Medford, MA 02155 (United States); Patel, Shannon G., E-mail: maseda@mpia.de [Carnegie Observatories, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); and others

2014-08-10

We present near-infrared spectroscopy of a sample of 22 Extreme Emission Line Galaxies at redshifts 1.3 < z < 2.3, confirming that these are low-mass (M{sub *} = 10{sup 8}-10{sup 9} M{sub ☉}) galaxies undergoing intense starburst episodes (M{sub *}/SFR ∼ 10-100 Myr). The sample is selected by [O III] or Hα emission line flux and equivalent width using near-infrared grism spectroscopy from the 3D-HST survey. High-resolution NIR spectroscopy is obtained with LBT/LUCI and VLT/X-SHOOTER. The [O III]/Hβ line ratio is high (≳ 5) and [N II]/Hα is always significantly below unity, which suggests a low gas-phase metallicity. We are able to determine gas-phase metallicities for seven of our objects using various strong-line methods, with values in the range 0.05-0.30 Z{sub ☉} and with a median of 0.15 Z{sub ☉}; for three of these objects we detect [O III] λ4363, which allows for a direct constraint on the metallicity. The velocity dispersion, as measured from the nebular emission lines, is typically ∼50 km s{sup –1}. Combined with the observed star-forming activity, the Jeans and Toomre stability criteria imply that the gas fraction must be large (f{sub gas} ≳ 2/3), consistent with the difference between our dynamical and stellar mass estimates. The implied gas depletion timescale (several hundred Myr) is substantially longer than the inferred mass-weighted ages (∼50 Myr), which further supports the emerging picture that most stars in low-mass galaxies form in short, intense bursts of star formation.

Evaluation of apparent viscosity of Para rubber latex by diffuse reflection near-infrared spectroscopy.

Science.gov (United States)

Sirisomboon, Panmanas; Chowbankrang, Rawiphan; Williams, Phil

2012-05-01

Near-infrared spectroscopy in diffuse reflection mode was used to evaluate the apparent viscosity of Para rubber field latex and concentrated latex over the wavelength range of 1100 to 2500 nm, using partial least square regression (PLSR). The model with ten principal components (PCs) developed using the raw spectra accurately predicted the apparent viscosity with correlation coefficient (r), standard error of prediction (SEP), and bias of 0.974, 8.6 cP, and -0.4 cP, respectively. The ratio of the SEP to the standard deviation (RPD) and the ratio of the SEP to the range (RER) for the prediction were 4.4 and 16.7, respectively. Therefore, the model can be used for measurement of the apparent viscosity of field latex and concentrated latex in quality assurance and process control in the factory.

Near-Infrared Spectroscopy versus Transcranial Doppler-Based Monitoring in Carotid Endarterectomy

Directory of Open Access Journals (Sweden)

Jun Woo Cho

2017-12-01

Full Text Available Background: Proper monitoring of cerebral perfusion during carotid artery surgery is crucial for determining if a shunt is needed. We compared the safety and reliability of near-infrared spectroscopy (NIRS with trans-cranial Doppler (TCD for cerebral monitoring. Methods: This single-center, retrospective review was con-ducted on patients who underwent carotid endarterectomy (CEA using selective shunt-based TCD or NIRS at Daegu Catholic University Medical Center from November 2009 to June 2016. Postoperative complications were the primary outcome, and the distribution of risk factors between the 2 groups was compared. Results: The medical records of 74 patients (45 TCD, 29 NIRS were reviewed. The demographic characteristics were similar between the 2 groups. One TCD patient died within the 30-day postoperative period. Postoperative stroke (n=4, p=0.15 and neurologic complications (n=10, p=0.005 were only reported in the TCD group. Shunt usage was 44.4% and 10.3% in the TCD and NIRS groups, respectively (p=0.002. Conclusion: NIRS-based selective shunting during CEA seems to be safe and reliable for monitoring cerebral perfusion in terms of postoperative stroke and neurologic symptoms. It also reduces unnecessary shunt usage.

Fecal near infrared spectroscopy to discriminate physiological status in giant pandas.

Directory of Open Access Journals (Sweden)

Erin E Wiedower

Full Text Available Giant panda (Ailuropoda melanoleuca monitoring and research often require accurate estimates of population size and density. However, obtaining these estimates has been challenging. Innovative technologies, such as fecal near infrared reflectance spectroscopy (FNIRS, may be used to differentiate between sex, age class, and reproductive status as has been shown for several other species. The objective of this study was to determine if FNIRS could be similarly used for giant panda physiological discriminations. Based on samples from captive animals in four U.S. zoos, FNIRS calibrations correctly identified 78% of samples from adult males, 81% from adult females, 85% from adults, 89% from juveniles, 75% from pregnant and 70% from non-pregnant females. However, diet had an impact on the success of the calibrations. When diet was controlled for plant part such that "leaf only" feces were evaluated, FNIRS calibrations correctly identified 93% of samples from adult males and 95% from adult females. These data show that FNIRS has the potential to differentiate between the sex, age class, and reproductive status in the giant panda and may be applicable for surveying wild populations.

Non-invasive diagnosis in cerebral ischemia by means of magnetic resonance imaging and near-infrared spectroscopy

International Nuclear Information System (INIS)

Piepgras, A.; Gueckel, F.; Laemmler, B.; Weigel, R.; Schmiedek, P.

1994-01-01

We describe the non-invasive assessment of cerebrovascular reserve capacity by means of near-infrared spectroscopy (NIRS) and magnetic resonance imaging. Both methods are compared with transcranial Doppler sonography. There is a good correlation of the three methods in the changes in cerebral oxygen saturation and in blood velocity following acetazolamide stimulation of cerebral blood flow, except found in one patient with unilateral carotid artery occlusion. In this patient we found a decreased cerebrovascular reserve capacity, revealed by a magnetic resonance technique designed to quantify CBV and CBF. We postulate a raised oxygen extraction as raised oxygen extraction as the cause of his changes in oxygen saturation. (orig.) [de

Improving the Classification Accuracy for Near-Infrared Spectroscopy of Chinese Salvia miltiorrhiza Using Local Variable Selection

Directory of Open Access Journals (Sweden)

Lianqing Zhu

2018-01-01

Full Text Available In order to improve the classification accuracy of Chinese Salvia miltiorrhiza using near-infrared spectroscopy, a novel local variable selection strategy is thus proposed. Combining the strengths of the local algorithm and interval partial least squares, the spectra data have firstly been divided into several pairs of classes in sample direction and equidistant subintervals in variable direction. Then, a local classification model has been built, and the most proper spectral region has been selected based on the new evaluation criterion considering both classification error rate and best predictive ability under the leave-one-out cross validation scheme for each pair of classes. Finally, each observation can be assigned to belong to the class according to the statistical analysis of classification results of the local classification model built on selected variables. The performance of the proposed method was demonstrated through near-infrared spectra of cultivated or wild Salvia miltiorrhiza, which are collected from 8 geographical origins in 5 provinces of China. For comparison, soft independent modelling of class analogy and partial least squares discriminant analysis methods are, respectively, employed as the classification model. Experimental results showed that classification performance of the classification model with local variable selection was obvious better than that without variable selection.

Infrared spectroscopy by use of synchrotron radiation

International Nuclear Information System (INIS)

Nanba, Takao

1991-01-01

During five years since the author wrote the paper on the utilization of synchrotron radiation in long wavelength region, it seems to be recognized that in synchrotron radiation, the light from infrared to milli wave can be utilized, and is considerably useful. Recently the research on coherent synchrotron radiation in this region using electron linac has been developed by Tohoku University group, and the high capability of synchrotron radiation as light source is verified. This paper is the report on the infrared spectroscopic research using incoherent synchrotron radiation obtained from the deflection electromagnet part of electron storage rings. Synchrotron radiation is high luminance white light source including from X-ray to micro wave. The example of research that the author carried out at UVSOR is reported, and the perspective in near future is mentioned. Synchrotron radiation as the light source for infrared spectroscopy, the intensity and dimensions of the light source, far infrared region and mid infrared region, far infrared high pressure spectroscopic experiment, and the heightening of luminance of synchrotron radiation as infrared light source are described. (K.I.)

The use of net analyte signal (NAS) in near infrared spectroscopy pharmaceutical applications: interpretability and figures of merit.

Science.gov (United States)

Sarraguça, Mafalda Cruz; Lopes, João Almeida

2009-05-29

Near infrared spectroscopy (NIRS) has been extensively used as an analytical method for quality control of solid dosage forms for the pharmaceutical industry. Pharmaceutical formulations can be extremely complex, containing typically one or more active product ingredients (API) and various excipients, yielding very complex near infrared (NIR) spectra. The NIR spectra interpretability can be improved using the concept of net analyte signal (NAS). NAS is defined as the part of the spectrum unique to the analyte of interest. The objective of this work was to compare two different methods to estimate the API's NAS vector of different pharmaceutical formulations. The main difference between the methods is the knowledge of API free formulations NIR spectra. The comparison between the two methods was assessed in a qualitative and quantitative way. Results showed that both methods produced good results in terms of the similarity between the NAS vector and the pure API spectrum, as well as in the ability to predict the API concentration of unknown samples. Moreover, figures of merit such as sensitivity, selectivity, and limit of detection were estimated in a straightforward manner.

Measurement of the local muscular metabolism by time-domain near infrared spectroscopy during knee flex-extension induced by functional electrical stimulation

Science.gov (United States)

Contini, D.; Spinelli, L.; Torricelli, A.; Ferrante, S.; Pedrocchi, A.; Molteni, F.; Ferrigno, G.; Cubeddu, R.

2009-02-01

We present a preliminary study that combines functional electrical stimulation and time-domain near infrared spectroscopy for a quantitative measurement of the local muscular metabolism during rehabilitation of post-acute stroke patients. Seven healthy subjects and nine post-acute stroke patients underwent a protocol of knee flex-extension of the quadriceps induced by functional electrical stimulation. During the protocol time-domain near infrared spectroscopy measurement were performed on both left and right muscle. Hemodynamic parameters (concentration of oxy- and deoxy-genated hemoglobin) during baseline did not show any significant differences between healthy subject and patients, while functional performances (knee angle amplitude) were distinctly different. Nevertheless, even if their clinical histories were noticeably different, there was no differentiation among functional performances of patients. On the basis of the hemodynamic parameters measured during the recovery phase, instead, it was possible to identify two classes of patients showing a metabolic trend similar or very different to the one obtained by healthy subjects. The presented results suggest that the combination of functional and metabolic information can give an additional tool to the clinicians in the evaluation of the rehabilitation in post-acute stroke patients.

Interference Tolerant Functional Near Infrared Spectrometer (fNIRS) for Cognitive State Monitoring

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National Aeronautics and Space Administration — Measuring hemoglobin concentration changes in the brain with Functional Near Infrared Spectroscopy (fNIRS) is a promising technique for monitoring cognitive state...

Nondestructive determination of the modulus of elasticity of Fraxinus mandschurica using near-infrared spectroscopy

Science.gov (United States)

Yu, Huiling; Liang, Hao; Lin, Xue; Zhang, Yizhuo

2018-04-01

A nondestructive methodology is proposed to determine the modulus of elasticity (MOE) of Fraxinus mandschurica samples by using near-infrared (NIR) spectroscopy. The test data consisted of 150 NIR absorption spectra of the wood samples obtained using an NIR spectrometer, with the wavelength range of 900 to 1900 nm. To eliminate the high-frequency noise and the systematic variations on the baseline, Savitzky-Golay convolution combined with standard normal variate and detrending transformation was applied as data pretreated methods. The uninformative variable elimination (UVE), improved by the evolutionary Monte Carlo (EMC) algorithm and successive projections algorithm (SPA) selected three characteristic variables from full 117 variables. The predictive ability of the models was evaluated concerning the root-mean-square error of prediction (RMSEP) and coefficient of determination (Rp2) in the prediction set. In comparison with the predicted results of all the models established in the experiments, UVE-EMC-SPA-LS-SVM presented the best results with the smallest RMSEP of 0.652 and the highest Rp2 of 0.887. Thus, it is feasible to determine the MOE of F. mandschurica using NIR spectroscopy accurately.

A noninvasive brain computer interface using visually-induced near-infrared spectroscopy responses.

Science.gov (United States)

Chen, Cheng-Hsuan; Ho, Ming-Shan; Shyu, Kuo-Kai; Hsu, Kou-Cheng; Wang, Kuo-Wei; Lee, Po-Lei

2014-09-19

Visually-induced near-infrared spectroscopy (NIRS) response was utilized to design a brain computer interface (BCI) system. Four circular checkerboards driven by distinct flickering sequences were displayed on a LCD screen as visual stimuli to induce subjects' NIRS responses. Each flickering sequence was a concatenated sequence of alternative flickering segments and resting segments. The flickering segment was designed with fixed duration of 3s whereas the resting segment was chosen randomly within 15-20s to create the mutual independencies among different flickering sequences. Six subjects were recruited in this study and subjects were requested to gaze at the four visual stimuli one-after-one in a random order. Since visual responses in human brain are time-locked to the onsets of visual stimuli and the flicker sequences of distinct visual stimuli were designed mutually independent, the NIRS responses induced by user's gazed targets can be discerned from non-gazed targets by applying a simple averaging process. The accuracies for the six subjects were higher than 90% after 10 or more epochs being averaged. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

A new method to detect cerebral blood flow waveform in synchrony with chest compression by near-infrared spectroscopy during CPR.

Science.gov (United States)

Koyama, Yasuaki; Wada, Takafumi; Lohman, Brandon D; Takamatsu, Yuka; Matsumoto, Junichi; Fujitani, Shigeki; Taira, Yasuhiko

2013-10-01

The objective of the study is to demonstrate the utility of near-infrared spectroscopy (NIRS) in evaluating chest compression (CC) quality in cardiac arrest (CA) patients as well as determine its prognosis predictive value. We present a nonconsecutive case series of adult patients with CA whose cardiopulmonary resuscitation (CPR) was monitored with NIRS and collected the total hemoglobin concentration change (ΔcHb), the tissue oxygen index (TOI), and the ΔTOI to assess CC quality in a noninvasive fashion. During CPR, ΔcHb displayed waveforms monitor, which we regarded as a surrogate for CC quality. Total hemoglobin concentration change waveforms responded accurately to variations or cessations of CCs. In addition, a TOI greater than 40% measured upon admission appears to be significant in predicting patient's outcome. Of 15 patients, 6 had a TOI greater than 40% measured upon admission, and 67% of the latter were in return of spontaneous circulation after CPR and were found to be significantly different between return of spontaneous circulation and death (P = .047; P < .05). Near-infrared spectroscopy reliably assesses the quality of CCs in patients with CA demonstrated by synchronous waveforms during CPR and possible prognostic predictive value, although further investigation is warranted. © 2013 Elsevier Inc. All rights reserved.

Quantification of fructan concentration in grasses using NIR spectroscopy and PLSR

DEFF Research Database (Denmark)

Shetty, Nisha; Gislum, Rene

2011-01-01

Near-infrared reflectance (NIR) spectroscopy combined with chemometrics was used to quantify fructan concentration in samples from seven grass species. Savitzky-Golay first derivative with filter width 7 and polynomial order 2 with mean centering was applied as a spectral pre-treatment method...... to remove unimportant baseline signals. In order to model the NIR spectroscopy data the partial least squares regression (PLSR) approach was used on the full spectra. Variable selection based on PLSR by jack-knifing within a cross-model validation (CMV) framework was applied in order to remove non...... quantification of fructans by NIR spectroscopy is possible and that jack-knifing PLSR within a CMV framework is an effective way to eliminate the wavelengths of no interest. Jack-knifing PLSR did not improve the predictive ability because the root mean square error of prediction (RMSEP) increased (1.37) compared...

Quality assessment of pharmaceutical tablet samples using Fourier transform near infrared spectroscopy and multivariate analysis

Science.gov (United States)

Kandpal, Lalit Mohan; Tewari, Jagdish; Gopinathan, Nishanth; Stolee, Jessica; Strong, Rick; Boulas, Pierre; Cho, Byoung-Kwan

2017-09-01

Determination of the content uniformity, assessed by the amount of an active pharmaceutical ingredient (API), and hardness of pharmaceutical materials is important for achieving a high-quality formulation and to ensure the intended therapeutic effects of the end-product. In this work, Fourier transform near infrared (FT-NIR) spectroscopy was used to determine the content uniformity and hardness of a pharmaceutical mini-tablet and standard tablet samples. Tablet samples were scanned using an FT-NIR instrument and tablet spectra were collected at wavelengths of 1000-2500 nm. Furthermore, multivariate analysis was applied to extract the relationship between the FT-NIR spectra and the measured parameters. The results of FT-NIR spectroscopy for API and hardness prediction were as precise as the reference high-performance liquid chromatography and mechanical hardness tests. For the prediction of mini-tablet API content, the highest coefficient of determination for the prediction (R2p) was found to be 0.99 with a standard error of prediction (SEP) of 0.72 mg. Moreover, the standard tablet hardness measurement had a R2p value of 0.91 with an SEP of 0.25 kg. These results suggest that FT-NIR spectroscopy is an alternative and accurate nondestructive measurement tool for the detection of the chemical and physical properties of pharmaceutical samples.

Assessing soil water repellency of a sandy field with visible near infrared spectroscopy

DEFF Research Database (Denmark)

Knadel, Maria; Masis Melendez, Federico; de Jonge, Lis Wollesen

2016-01-01

. A lower prediction error of the WR model for soils dried at 105°C (1.93 mN m–1) than at 60°C (2.52 mN m–1) can be explained by a lower range of WR values for the soils dried at 105°C. Moreover, a higher temperature reduced the number of absorption bands related to OM, indicating a degradation......Soil water repellency (WR) is a widespread phenomenon caused by aggregated organic matter (OM) and layers of hydrophobic organic substances coating the surface of soil particles. These substances have a very low surface free energy, reducing a soil’s water attraction. There is focus on WR due...... to its effects on germination, root growth, liquid–vapour dynamics, surface erosion and leaching of chemicals through fingered flow paths. However, common techniques for measuring WR are time-consuming and expensive. Meanwhile, it is well established that visible near infrared (vis-NIR) spectroscopy...

Determination of adsorbed protein concentration in aluminum hydroxide suspensions by near-infrared transmittance Spectroscopy

DEFF Research Database (Denmark)

Lai, Xuxin; Zheng, Yiwu; Jacobsen, Susanne

2008-01-01

, using the partial least square regression (PLSR) method to construct a calibration model. The linear concentration range of adsorbed BSA is from 0 to 1.75 mg/mL by using 10 mm path length cuvettes. The influence of the sedimentation in suspension, different buffers, and different aluminum hydroxide......Analysis of aluminum hydroxide based vaccines is difficult after antigen adsorption. Adsorbed protein is often assessed by measuring residual unadsorbed protein for quality control. A new method for the direct determination of adsorbed protein concentration in suspension using near-infrared (NIR......) transmittance spectroscopy is proposed here. A simple adsorption system using albumin from bovine serum (BSA) and aluminum hydroxide as a model system is employed. The results show that the NIR absorbance at 700-1300 nm is correlated to the adsorbed BSA concentration, measured by the ultraviolet (UV) method...

Sensitivity of near-infrared spectroscopy and diffuse correlation spectroscopy to brain hemodynamics: simulations and experimental findings during hypercapnia

Science.gov (United States)

Selb, Juliette; Boas, David A.; Chan, Suk-Tak; Evans, Karleyton C.; Buckley, Erin M.; Carp, Stefan A.

2014-01-01

Abstract. Near-infrared spectroscopy (NIRS) and diffuse correlation spectroscopy (DCS) are two diffuse optical technologies for brain imaging that are sensitive to changes in hemoglobin concentrations and blood flow, respectively. Measurements for both modalities are acquired on the scalp, and therefore hemodynamic processes in the extracerebral vasculature confound the interpretation of cortical hemodynamic signals. The sensitivity of NIRS to the brain versus the extracerebral tissue and the contrast-to-noise ratio (CNR) of NIRS to cerebral hemodynamic responses have been well characterized, but the same has not been evaluated for DCS. This is important to assess in order to understand their relative capabilities in measuring cerebral physiological changes. We present Monte Carlo simulations on a head model that demonstrate that the relative brain-to-scalp sensitivity is about three times higher for DCS (0.3 at 3 cm) than for NIRS (0.1 at 3 cm). However, because DCS has higher levels of noise due to photon-counting detection, the CNR is similar for both modalities in response to a physiologically realistic simulation of brain activation. Even so, we also observed higher CNR of the hemodynamic response during graded hypercapnia in adult subjects with DCS than with NIRS. PMID:25453036

Functional near infrared spectroscopy of the sensory and motor brain regions with simultaneous kinematic and EMG monitoring during motor tasks

OpenAIRE

Sukal-Moulton, Theresa; de Campos, Ana Carolina; Stanley, Christopher J; Damiano, Diane L

2014-01-01

There are several advantages that functional near-infrared spectroscopy (fNIRS) presents in the study of the neural control of human movement. It is relatively flexible with respect to participant positioning and allows for some head movements during tasks. Additionally, it is inexpensive, light weight, and portable, with very few contraindications to its use. This presents a unique opportunity to study functional brain activity during motor tasks in individuals who are typically developing, ...

Subcutaneous and Intramuscular Hemodynamics and Oxygenation After Cold-Spray Application as Monitored by Near-Infrared Spectroscopy

Science.gov (United States)

Shadgan, Babak; Pakravan, Amir H.; Hoens, Alison; Reid, W. Darlene

2015-01-01

Context Vapocoolant spray, commonly known as cold spray (CS), is a cryotherapy modality used in sports medicine, athletic training, and rehabilitation settings. Proposed physiologic effects of cryotherapy modalities include reductions in tissue blood flow, oxygenation, and cell metabolism in addition to attenuation of pain perception attributed to reduced superficial nerve conduction velocity. Objective To examine the effects of CS on subcutaneous and intramuscular blood flow and oxygenation on the thigh muscle using near-infrared spectroscopy, an optical method to monitor changes in tissue oxygenated (O2Hb), deoxygenated (HHb), and total (tHb) hemoglobin. Design Cross-sectional study. Setting Muscle Biophysics Laboratory. Patients or Other Participants Participants were 13 healthy adults (8 men, 5 women; age = 37.4 ± 6 years, body mass index = 27.4 ± 2.6, adipose tissue thickness = 7.2 ± 1.8 mm). Intervention(s) Conventional CS was applied to the vastus medialis muscles. Main Outcome Measure(s) Changes in chromophore concentrations of O2Hb, HHb, and tHb at superficial and deep layers were monitored for 5 minutes using a 2-channel near-infrared spectroscopy. Results Thirty seconds after CS application, we observed a decrease from baseline in O2Hb and tHb only in the superficial layer that was maintained for 3 minutes. Conclusions Application of CS induced a transient change in blood flow and oxygenation of the superficial tissues with no change in deeper tissues over the healthy vastus medialis muscle. The limited physiologic effect of CS on the superficial hemodynamics and oxygenation of limb muscles may limit the therapeutic benefit of this cryotherapy modality to a temporary analgesic effect, a hypothesis that warrants a clinical trial on traumatized muscles. PMID:26098273

A Near Infrared Spectroscopy (NIRS and Chemometric Approach to Improve Apple Fruit Quality Management: A Case Study on the Cultivars “Cripps Pink” and “Braeburn”

Directory of Open Access Journals (Sweden)

Daniela Eisenstecken

2015-07-01

Full Text Available The potential of near infrared spectroscopy (NIRS in the wavelength range of 1000–2500 nm for predicting quality parameters such as total soluble solids (TSS, acidity (TA, firmness, and individual sugars (glucose, fructose, sucrose, and xylose for two cultivars of apples (“Braeburn” and “Cripps Pink” was studied during the pre- and post-storage periods. Simultaneously, a qualitative investigation on the capability of NIRS to discriminate varieties, harvest dates, storage periods and fruit inhomogeneity was carried out. In order to generate a sample set with high variability within the most relevant apple quality traits, three different harvest time points in combination with five different storage periods were chosen, and the evolution of important quality parameters was followed both with NIRS and wet chemical methods. By applying a principal component analysis (PCA a differentiation between the two cultivars, freshly harvested vs. long-term stored apples and, notably, between the sun-exposed vs. shaded side of apples could be found. For the determination of quality parameters effective prediction models for titratable acid (TA and individual sugars such as fructose, glucose and sucrose by using partial least square (PLS regression have been developed. Our results complement earlier reports, highlighting the versatility of NIRS as a fast, non-invasive method for quantitative and qualitative studies on apples.

Chemometrics: A new scenario in herbal drug standardization

Directory of Open Access Journals (Sweden)

Ankit Bansal

2014-08-01

Full Text Available Chromatography and spectroscopy techniques are the most commonly used methods in standardization of herbal medicines but the herbal system is not easy to analyze because of their complexity of chemical composition. Many cutting-edge analytical technologies have been introduced to evaluate the quality of medicinal plants and significant amount of measurement data has been produced. Chemometric techniques provide a good opportunity for mining more useful chemical information from the original data. Then, the application of chemometrics in the field of medicinal plants is spontaneous and necessary. Comprehensive methods and hyphenated techniques associated with chemometrics used for extracting useful information and supplying various methods of data processing are now more and more widely used in medicinal plants, among which chemometrics resolution methods and principal component analysis (PCA are most commonly used techniques. This review focuses on the recent various important analytical techniques, important chemometrics tools and interpretation of results by PCA, and applications of chemometrics in quality evaluation of medicinal plants in the authenticity, efficacy and consistency. Key words: Chemometrics, HELP, Herbal drugs, PCA, OPA

Non-invasive prediction of hematocrit levels by portable visible and near-infrared spectrophotometer.

Science.gov (United States)

Sakudo, Akikazu; Kato, Yukiko Hakariya; Kuratsune, Hirohiko; Ikuta, Kazuyoshi

2009-10-01

After blood donation, in some individuals having polycythemia, dehydration causes anemia. Although the hematocrit (Ht) level is closely related to anemia, the current method of measuring Ht is performed after blood drawing. Furthermore, the monitoring of Ht levels contributes to a healthy life. Therefore, a non-invasive test for Ht is warranted for the safe donation of blood and good quality of life. A non-invasive procedure for the prediction of hematocrit levels was developed on the basis of a chemometric analysis of visible and near-infrared (Vis-NIR) spectra of the thumbs using portable spectrophotometer. Transmittance spectra in the 600- to 1100-nm region from thumbs of Japanese volunteers were subjected to a partial least squares regression (PLSR) analysis and leave-out cross-validation to develop chemometric models for predicting Ht levels. Ht levels of masked samples predicted by this model from Vis-NIR spectra provided a coefficient of determination in prediction of 0.6349 with a standard error of prediction of 3.704% and a detection limit in prediction of 17.14%, indicating that the model is applicable for normal and abnormal value in Ht level. These results suggest portable Vis-NIR spectrophotometer to have potential for the non-invasive measurement of Ht levels with a combination of PLSR analysis.

A NEW GAS CELL FOR HIGH-PRECISION DOPPLER MEASUREMENTS IN THE NEAR-INFRARED

International Nuclear Information System (INIS)

Valdivielso, L.; Esparza, P.; MartIn, E. L.; Maukonen, D.; Peale, R. E.

2010-01-01

High-resolution spectroscopy in the near-infrared could become the leading method for discovering extra-solar planets around very low mass stars and brown dwarfs. In order to help to achieve an accuracy of ∼m s -1 , we are developing a gas cell which consists of a mixture of gases whose absorption spectral lines span all over the near-infrared region. We present the most promising mixture, made of acetylene, nitrous oxide, ammonia, chloromethanes, and hydrocarbons. The mixture is contained in a small size 13 cm long gas cell and covers most of the H and K bands. It also shows small absorptions in the J band, but they are few and not sharp enough for near-infrared wavelength calibration. We describe the working method and experiments, and compare our results with the state of the art for near-infrared gas cells.

Near-infrared (JHK) spectroscopy of young stellar and substellar objects in orion

International Nuclear Information System (INIS)

Ingraham, P.; Albert, L.; Doyon, R.; Artigau, E.

2014-01-01

We performed low-resolution (R ∼ 40) near-infrared (0.9-2.4 μm) multi-object spectroscopy of 240 isolated point sources having apparent H-band magnitudes between 9 and 18 in the central 5' × 6' of the Orion Trapezium cluster. The observations were performed over four nights at the Canada-France-Hawaii Telescope using the visiting instrument SIMON, an infrared imager and multi-object spectrograph. We present the spectra of 104 objects with accurately derived spectral types including 7 new objects having masses below the hydrogen-burning limit, and 6 objects with masses below the deuterium-burning limit. The spectral classification is performed by fitting previously classified spectral templates of dwarf stars (K4-M3) and optically classified young stellar and substellar objects (M4-L0), to the entire 0.9-2.4 μm spectral energy distribution in order to assign a spectral type and visual extinction for each object. Of the 104 objects studied, 44 have been previously classified spectroscopically using various techniques. We perform a rigorous comparison between the previous classifications and our own and find them to be in good agreement. Using the dereddened H-band magnitudes, the classified objects are used to create an Hertzsprung-Russell diagram for the cluster. We find that the previous age estimates of ∼1 Myr to be consistent with our results. Consistent with previous studies, numerous objects are observed to have luminosities several magnitudes above the 1 Myr isochrone. Numerous objects exhibiting emission features in the J band are also reported

In vitro quantitation of human femoral artery atherosclerosis using near-infrared Raman spectroscopy

Science.gov (United States)

Dykes, Ava C.; Anastasiadis, Pavlos; Allen, John S., III; Sharma, Shiv K.

2012-06-01

Near-infrared Raman spectroscopy has been used in vitro to identify calcified atherosclerotic plaques in human femoral arteries. Raman techniques allow for the identification of these plaques in a nondestructive manner, which may allow for the diagnosis of coronary artery disease in cardiac patients in the future. As Raman spectroscopy also reveals chemical information about the composition of the arteries, it can also be used as a prognostic tool. The in vivo detection of atherosclerotic plaques at risk for rupture in cardiac patients will enhance treatment methods while improving clinical outcomes for these procedures. Raman spectra were excited by an Invictus 785-nm NIR laser and measured with a fiber-coupled micro-Raman RXN system (Kaiser Optical Systems, Inc., Ann Arbor, MI) equipped with a 785 nm CW laser and CCD detector. Chemical mapping of arteries obtained post mortem allowed for the discrete location of atherosclerotic plaques. Raman peaks at 961 and 1073 cm-1 reveal the presence of calcium hydroxyapatite and carbonate apatite, which are known to be present in calcified plaques. By mapping the locations of these peaks the boundaries of the plaques can be precisely determined. Areas of varying degrees of calcification were also identified. Because this can be useful in determining the degree of plaque calcification and vessel stenosis, this may have a significant impact on the clinical treatment of atherosclerotic plaques in the future.

Quality evaluation of frozen guava and yellow passion fruit pulps by NIR spectroscopy and chemometrics.

Science.gov (United States)

Alamar, Priscila D; Caramês, Elem T S; Poppi, Ronei J; Pallone, Juliana A L

2016-07-01

The present study investigated the application of near infrared spectroscopy as a green, quick, and efficient alternative to analytical methods currently used to evaluate the quality (moisture, total sugars, acidity, soluble solids, pH and ascorbic acid) of frozen guava and passion fruit pulps. Fifty samples were analyzed by near infrared spectroscopy (NIR) and reference methods. Partial least square regression (PLSR) was used to develop calibration models to relate the NIR spectra and the reference values. Reference methods indicated adulteration by water addition in 58% of guava pulp samples and 44% of yellow passion fruit pulp samples. The PLS models produced lower values of root mean squares error of calibration (RMSEC), root mean squares error of prediction (RMSEP), and coefficient of determination above 0.7. Moisture and total sugars presented the best calibration models (RMSEP of 0.240 and 0.269, respectively, for guava pulp; RMSEP of 0.401 and 0.413, respectively, for passion fruit pulp) which enables the application of these models to determine adulteration in guava and yellow passion fruit pulp by water or sugar addition. The models constructed for calibration of quality parameters of frozen fruit pulps in this study indicate that NIR spectroscopy coupled with the multivariate calibration technique could be applied to determine the quality of guava and yellow passion fruit pulp. Copyright © 2016 Elsevier Ltd. All rights reserved.

Brain functional near infrared spectroscopy in human infants : cerebral cortical haemodynamics coupled to neuronal activation in response to sensory stimulation

OpenAIRE

Bartocci, Marco

2006-01-01

The assessment of cortical activation in the neonatal brain is crucial in the study of brain development, as it provides precious information for how the newborn infant processes external or internal stimuli. Thus far functional studies of neonates aimed to assess cortical responses to certain external stimuli are very few, due to the lack of suitable techniques to monitor brain activity of the newborn. Near Infrared Spectroscopy (NIRS) has been found to be suitable for func...

Application of Raman spectroscopy and chemometric techniques to assess sensory characteristics of young dairy bull beef.

Science.gov (United States)

Zhao, Ming; Nian, Yingqun; Allen, Paul; Downey, Gerard; Kerry, Joseph P; O'Donnell, Colm P

2018-05-01

This work aims to develop a rapid analytical technique to predict beef sensory attributes using Raman spectroscopy (RS) and to investigate correlations between sensory attributes using chemometric analysis. Beef samples (n = 72) were obtained from young dairy bulls (Holstein-Friesian and Jersey×Holstein-Friesian) slaughtered at 15 and 19 months old. Trained sensory panel evaluation and Raman spectral data acquisition were both carried out on the same longissimus thoracis muscles after ageing for 21 days. The best prediction results were obtained using a Raman frequency range of 1300-2800 cm -1 . Prediction performance of partial least squares regression (PLSR) models developed using all samples were moderate to high for all sensory attributes (R 2 CV values of 0.50-0.84 and RMSECV values of 1.31-9.07) and were particularly high for desirable flavour attributes (R 2 CVs of 0.80-0.84, RMSECVs of 4.21-4.65). For PLSR models developed on subsets of beef samples i.e. beef of an identical age or breed type, significant improvements on prediction performances were achieved for overall sensory attributes (R 2 CVs of 0.63-0.89 and RMSECVs of 0.38-6.88 for each breed type; R 2 CVs of 0.52-0.89 and RMSECVs of 0.96-6.36 for each age group). Chemometric analysis revealed strong correlations between sensory attributes. Raman spectroscopy combined with chemometric analysis was demonstrated to have high potential as a rapid and non-destructive technique to predict the sensory quality traits of young dairy bull beef. Copyright © 2018. Published by Elsevier Ltd.

Optical measurement for the concentrations of the pickling acid with near infrared spectroscopy in steel making industry

Science.gov (United States)

Kang, Gumin; Lee, Kwangchil; Park, Haesung; Lee, Jinho; Jung, Youngjean; Kim, Kyoungsik

2010-08-01

In the manufacturing process of stainless steel, it is essential to pickle the oxide layer of steel surface for high corrosion resistance and fine surface quality. Pickling liquor of stainless steel is commonly composed of mixed hydrofluoric and nitric acid. Real time monitoring of concentrations of each acid is crucial to optimize pickling process. It also reduces cost of production and decreases the generation of waste acid. We used non-contact near infrared spectroscopy technique and rapid analysis method, for the quantification of each acid in an on-line manner. Multivariate calibration such as partial least square regression method is employed for the better prediction results.

Prediction of soluble solids content and ph in red wine by visible and near infrared spectroscopy

Science.gov (United States)

Wang, Li; He, Yong; Wang, Yanyan

2008-02-01

Soluble solids content (SSC) and pH are two major characteristic used for assessing quality of red wine, and they are also two important quality indexes in the manufacture of red wine. For rapid detection of SSC and pH in red wine, visible and near infrared (Vis/NIR) transmittance spectroscopy technique combined with partial least squares (PLS) and least squares support vector machines (LS-SVM) were used in this study. First, the near infrared transmittance spectra of 175 red wine samples were obtained using Vis/NIR spectroradiometer, then, PLS was applied for reducing the dimensionality of the original spectra, latent variables (LVs) selected by PLS could be used to replace the complex spectral data. All samples were randomly separated into calibration set and validation set. The LVs (selected by PLS) of each sample in calibration set was used as the inputs to train the LS-SVM model, then the optimal model was used to predict the SSC and pH values of samples in validation set based on their LVs. Standard error prediction (SEP) and determination coefficient (r2) were used as the evaluation standards, and the results indicated that the SEP and r2 for the prediction of SSC were 0.2313 and 0.9348; while 0.0071 and 0.9986 for pH. This prediction model was more accurate compared with the related research.

A primer to nutritional metabolomics by NMR spectroscopy and chemometrics

DEFF Research Database (Denmark)

Savorani, Francesco; Rasmussen, Morten Arendt; Mikkelsen, Mette Skau

2013-01-01

This paper outlines the advantages and disadvantages of using high throughput NMR metabolomics for nutritional studies with emphasis on the workflow and data analytical methods for generation of new knowledge. The paper describes one-by-one the major research activities in the interdisciplinary...... metabolomics platform and highlights the opportunities that NMR spectra can provide in future nutrition studies. Three areas are emphasized: (1) NMR as an unbiased and non-destructive platform for providing an overview of the metabolome under investigation, (2) NMR for providing versatile information and data...... structures for multivariate pattern recognition methods and (3) NMR for providing a unique fingerprint of the lipoprotein status of the subject. For the first time in history, by combining NMR spectroscopy and chemometrics we are able to perform inductive nutritional research as a complement to the deductive...

A modern approach to the authentication and quality assessment of thyme using UV spectroscopy and chemometric analysis.

Science.gov (United States)

Gad, Haidy A; El-Ahmady, Sherweit H; Abou-Shoer, Mohamed I; Al-Azizi, Mohamed M

2013-01-01

Recently, the fields of chemometrics and multivariate analysis have been widely implemented in the quality control of herbal drugs to produce precise results, which is crucial in the field of medicine. Thyme represents an essential medicinal herb that is constantly adulterated due to its resemblance to many other plants with similar organoleptic properties. To establish a simple model for the quality assessment of Thymus species using UV spectroscopy together with known chemometric techniques. The success of this model may also serve as a technique for the quality control of other herbal drugs. The model was constructed using 30 samples of authenticated Thymus vulgaris and challenged with 20 samples of different botanical origins. The methanolic extracts of all samples were assessed using UV spectroscopy together with chemometric techniques: principal component analysis (PCA), soft independent modeling of class analogy (SIMCA) and hierarchical cluster analysis (HCA). The model was able to discriminate T. vulgaris from other Thymus, Satureja, Origanum, Plectranthus and Eriocephalus species, all traded in the Egyptian market as different types of thyme. The model was also able to classify closely related species in clusters using PCA and HCA. The model was finally used to classify 12 commercial thyme varieties into clusters of species incorporated in the model as thyme or non-thyme. The model constructed is highly recommended as a simple and efficient method for distinguishing T. vulgaris from other related species as well as the classification of marketed herbs as thyme or non-thyme. Copyright © 2013 John Wiley & Sons, Ltd.

Visualization of light propagation in visible Chinese human head for functional near-infrared spectroscopy

Science.gov (United States)

Li, Ting; Gong, Hui; Luo, Qingming

2011-04-01

Using the visible Chinese human data set, which faithfully represents human anatomy, we visualize the light propagation in the head in detail based on Monte Carlo simulation. The simulation is verified to agree with published experimental results in terms of a differential path-length factor. The spatial sensitivity profile turns out to seem like a fat tropical fish with strong distortion along the folding cerebral surface. The sensitive brain region covers the gray matter and extends to the superficial white matter, leading to a large penetration depth (>3 cm). Finally, the optimal source-detector separation is suggested to be narrowed down to 3-3.5 cm, while the sensitivity of the detected signal to brain activation reaches the peak of 8%. These results indicate that the cerebral cortex folding geometry actually has substantial effects on light propagation, which should be necessarily considered for applications of functional near-infrared spectroscopy.

A brief review on the history of human functional near-infrared spectroscopy (fNIRS) development and fields of application.

Science.gov (United States)

Ferrari, Marco; Quaresima, Valentina

2012-11-01

This review is aimed at celebrating the upcoming 20th anniversary of the birth of human functional near-infrared spectroscopy (fNIRS). After the discovery in 1992 that the functional activation of the human cerebral cortex (due to oxygenation and hemodynamic changes) can be explored by NIRS, human functional brain mapping research has gained a new dimension. fNIRS or optical topography, or near-infrared imaging or diffuse optical imaging is used mainly to detect simultaneous changes in optical properties of the human cortex from multiple measurement sites and displays the results in the form of a map or image over a specific area. In order to place current fNIRS research in its proper context, this paper presents a brief historical overview of the events that have shaped the present status of fNIRS. In particular, technological progresses of fNIRS are highlighted (i.e., from single-site to multi-site functional cortical measurements (images)), introduction of the commercial multi-channel systems, recent commercial wireless instrumentation and more advanced prototypes. Copyright © 2012 Elsevier Inc. All rights reserved.

Measurement of oxygen consumption during muscle flaccidity exercise by near-infrared spectroscopy

Science.gov (United States)

Fukuda, K.; Fukawa, Y.

2013-03-01

Quantitative measurement oxygen consumption in the muscles is important to evaluate the effect of the exercise. Near-infrared spectroscopy (NIRS) is a noninvasive method for measuring muscle oxygenation. However, measurement results are affected by blood volume change due to changes in the blood pressure. In order to evaluate changes in blood volume and to improve measurement accuracy, we proposed a calculation method of three-wavelength measurement with considering the scattering factor and the measurement with monitoring blood flow for measuring the temporal change of the oxygen concentration more precisely. We applied three-wavelength light source (680nm, 808nm and 830nm) for the continued wave measurement. Two detectors (targeted detector and the reference detector) were placed near the target muscle and apart from it. We measured the blood flow by controlling the intravascular pressure and the oxygen consumption with the handgrip exercise in the forearm. The measured results show that the scattering factor contains the artifact at the surface and the blood flow in the artery and the vein in the same phase. The artifact and the blood flow in the same phase are reduced from the oxygenated and the deoxygenated hemoglobin densities. Thus our proposed method is effective for reducing the influence of the artifact and the blood flow in the same phase from the oxygen consumption measurement. Further, it is shown that the oxygen consumption is measured more accurately by subtracting the blood flow measured by the reference detector.

Fourier transform infrared and fluorescence spectroscopy for analysis of vegetable oils

Directory of Open Access Journals (Sweden)

Nigri S.

2013-09-01

Full Text Available Fourier transform infrared (FTIR and fluorescence spectroscopy, combined with chemometric approaches have been developed to analysis of extra virgin olive oil adulterated with pomace olive oil. The measurements were made on pure vegetable oils: extra virgin oil, pomace olive oil and that adulterated with varying concentration of pomace olive oil. Today, the application of FTIR spectroscopy has increased in food studied, and particularly has become a powerful analytical tool in the study of edible oils and fats. The spectral regions where the variations were observed chosen for developing models and cross validation was used. The synchronous fluorescence spectrometry takes advantage of the hardware capability to vary both the excitation and emission wavelengths during the analysis with constant wavelength difference is maintained between the two. The region between 300 and 400 nm is attributed to the tocopherols and phenols, the derivatives of vitamin E are associated with the region 400–600 nm and the bands in the region of 600–700 nm are attributed to the chlorophyll and peophytin pigments. The results presented in this study suggest that FTIR and fluorescence may be a useful tool for analysis and detecting adulteration of extra virgin olive oil with pomace oil.

Effect of mechanical optical clearing on near-infrared spectroscopy.

Science.gov (United States)

Idelson, Christopher R; Vogt, William C; King-Casas, Brooks; LaConte, Stephen M; Rylander, Christopher G

2015-08-01

Near-infrared Spectroscopy (NIRS) is a broadly utilized technology with many emerging applications including clinical diagnostics, sports medicine, and functional neuroimaging, to name a few. For functional brain imaging NIR light is delivered at multiple wavelengths through the scalp and skull to the brain to enable spatial oximetry measurements. Dynamic changes in brain oxygenation are highly correlated with neural stimulation, activation, and function. Unfortunately, NIRS is currently limited by its low spatial resolution, shallow penetration depth, and, perhaps most importantly, signal corruption due to light interactions with superficial non-target tissues such as scalp and skull. In response to these issues, we have combined the non-invasive and rapidly reversible method of mechanical tissue optical clearing (MOC) with a commercially available NIRS system. MOC utilizes a compressive loading force on tissue, causing the lateral displacement of blood and water, while simultaneously thinning the tissue. A MOC-NIRS Breath Hold Test displayed a ∼3.5-fold decrease in the time-averaged standard deviation between channels, consequentially promoting greater channel agreement. A Skin Pinch Test was implemented to negate brain and muscle activity from affecting the recorded signal. These results displayed a 2.5-3.0 fold increase in raw signal amplitude. Existing NIRS instrumentation has been further integrated within a custom helmet device to provide a uniform force distribution across the NIRS sensor array. These results showed a gradual decrease in time-averaged standard deviation among channels with an increase in applied pressure. Through these experiments, and the development of the MOC-NIRS helmet device, MOC appears to provide enhancement of NIRS technology beyond its current limitations. © 2015 Wiley Periodicals, Inc.

Study on Fracture Healing with Small-Splint-Fixation Therapy by Near-Infrared Raman Spectroscopy

Directory of Open Access Journals (Sweden)

Hao Huang

2013-01-01

Full Text Available In this study, near-infrared (NIR Raman spectroscopy was explored to assess the incorporation of calcium hydroxyapatite (CHA ~960 cm−1 and other biochemical substances during the recovery of rabbits with complete radial fractures treated with or without small splints. 24 rabbits were randomy divided into two groups, one treated with small-splint-fixation therapy and the other without any intervention. The rabbits were sacrificed at 7, 15, 23, and 30 days after surgery, and the surface layers of the calluses in the fracture healing site from control and treated groups were routinely prepared for Raman spectroscopy. The prominent Raman bands were observed, including minerals at 430, 590, 960, 1003, and 1071  cm−1, protein at 856, 876, 1246, and 1667 cm−1, and lipid at 1767 cm−1. The carbonate-to-phosphate ratio (CO3 to υ1 PO4 and the mineral-to-matrix ratio (υ1 PO4 to amide I were calculated from these normalized Raman bands. Comparison of the υ1 PO4-to-amide I ratio for the control group with that of the treated group probably indicated that the small-splint-fixation therapy could be useful for the gradual mineralization of the collagen matrix during fracture healing.

Near-infrared spectroscopy for detection of hailstorm damage on olive fruit

Science.gov (United States)

A rapid, robust, unbiased and inexpensive discriminant method capable of classifying olive fruit (Olea europaea L.) on the basis of the presence of hailstorm damage is economically important to the olive oil milling industry. Thus, in the present study, the feasibility of Near-Infrared (NIR) spectro...

Near infrared reflectance spectroscopy for the fast identification of PVC-based films.

Science.gov (United States)

Laasonen, M; Rantanen, J; Harmia-Pulkkinen, T; Michiels, E; Hiltunen, R; Räsänen, M; Vuorela, H

2001-07-01

Near infrared (NIR) reflectance spectroscopy was used to develop a non-destructive and rapid qualitative method for the analysis of plastic films used by the pharmaceutical industry for blistering. Three types of films were investigated: 250 microm PVC [poly(vinyl chloride)] films, 250 microm PVC films coated with 40 g m(-2) of PVDC [poly(vinylidene dichloride)] and 250 microm PVC films coated with 5 g m(-2) of TE (Thermoelast) and 90 g m(-2) of PVDC. Three analyses were carried out using different pre-treatment options and a PLS (partial least squares) algorithm. Each analysis was aimed at identifying one type of film and rejecting all types of false sample (different thickness, colour or layer). True and false samples from four plastics manufacturers were included in the calibration sets in order to obtain robust methods that were suitable regardless of the supplier. Specificity was demonstrated by testing validation sets against the methods. The tests showed 0% of type I (false negative identification) and 1% of type II errors (false positive identification) for the PVC method, 13 and 3%, respectively, for the PVC-PVDC method and no error for the PVC-TE-PVDC method. Type II errors, mostly due to the slight sensitivity of the methods to film thickness, are easily corrected by simple thickness measurements. This study demonstrates that NIR spectroscopy is an excellent tool for the identification of PVC-based films. The three methods can be used by the pharmaceutical industry or plastics manufacturers for the quality control of films used in blister packaging.

Analyzing prefrontal cortex hemoglobin concentration exchange spectrum in patients with major depressive disorder combined with anxiety and obsession through near-infrared spectroscopy

Institute of Scientific and Technical Information of China (English)

刘晓敏

2014-01-01

Objective Exploring the characteristics of prefrontal cortex activation in patients of major depressive disorder(MDD)combined with anxiety and obsession through functional near-infrared spectroscopy(fN IRS).Methods Prefrontal cortex hemoglobin concentration exchange of30 MDD patients combined with anxiety and obsession was detected by fN IRS under voice fluency task(VFT),then psychological assessment was made using Hanmilton Depression Scale(HAMD),Hamilton Anxiety Scale

Assessment of tissue oxygen saturation during a vascular occlusion test using near-infrared spectroscopy: the role of probe spacing and measurement site studied in healthy volunteers

NARCIS (Netherlands)

Bezemer, R.; Lima, A.; Myers, D.; Klijn, E.; Heger, M.; Goedhart, P.T.; Bakker, J.; Ince, C.

2009-01-01

INTRODUCTION: To assess potential metabolic and microcirculatory alterations in critically ill patients, near-infrared spectroscopy (NIRS) has been used, in combination with a vascular occlusion test (VOT), for the non-invasive measurement of tissue oxygen saturation (StO2), oxygen consumption, and

Trans-cranial infrared laser stimulation induces hemodynamic and metabolic response measured by broadband near infrared spectroscopy in vivo on human forehead (Conference Presentation)

Science.gov (United States)

Wang, Xinlong; Nalawade, Sahil Sunil; Reddy, Divya Dhandapani; Tian, Fenghua; Gonzalez-Lima, F.; Liu, Hanli

2017-02-01

Transcranial infrared laser stimulation (TILS) uses infrared light (lasers or LEDs) for nondestructive and non-thermal photobiomodulation on the human brain. Although TILS has shown its beneficial effects to a variety of neurological and psychological conditions, its physiological mechanism remains unknown. Cytochrome-c-oxidase (CCO), the last enzyme in the electron transportation chain, is proposed to be the primary photoacceptor of this infrared laser. In this study, we wish to validate this proposed mechanism. We applied 8 minutes in vivo TILS on the right forehead of 11 human participants with a 1064-nm laser. Broad-band near infrared spectroscopy (bb-NIRS) from 740-900nm was also employed near the TILS site to monitor hemodynamic and metabolic responses during the stimulation and 5-minute recovery period. For rigorous comparison, we also performed similar 8-min bb-NIR measurements under placebo conditions. A multi-linear regression analysis based on the modified Beer-Lambert law was performed to estimate concentration changes of oxy-hemoglobin (Δ[HbO]), deoxy-hemoglobin (Δ[Hb]), and cytochrome-c-oxidase (Δ[CCO]). We found that TILS induced significant increases of [CCO], [HbO] and a decrease of [Hb] with dose-dependent manner as compared with placebo treatments. Furthermore, strong linear relationships or interplays between [CCO] versus [HbO] and [CCO] versus [Hb] induced by TILS were observed in vivo for the first time. These relationships have clearly revealed close coupling/relationship between the hemodynamic oxygen supply and blood volume versus up-regulation of CCO induced by photobiomodulation. Our results demonstrate the tremendous potential of bb-NIRS as a non-invasive in vivo means to study photobiomodulation mechanisms and perform treatment evaluations of TILS.

Intelligent sensing sensory quality of Chinese rice wine using near infrared spectroscopy and nonlinear tools

Science.gov (United States)

Ouyang, Qin; Chen, Quansheng; Zhao, Jiewen

2016-02-01

The approach presented herein reports the application of near infrared (NIR) spectroscopy, in contrast with human sensory panel, as a tool for estimating Chinese rice wine quality; concretely, to achieve the prediction of the overall sensory scores assigned by the trained sensory panel. Back propagation artificial neural network (BPANN) combined with adaptive boosting (AdaBoost) algorithm, namely BP-AdaBoost, as a novel nonlinear algorithm, was proposed in modeling. First, the optimal spectra intervals were selected by synergy interval partial least square (Si-PLS). Then, BP-AdaBoost model based on the optimal spectra intervals was established, called Si-BP-AdaBoost model. These models were optimized by cross validation, and the performance of each final model was evaluated according to correlation coefficient (Rp) and root mean square error of prediction (RMSEP) in prediction set. Si-BP-AdaBoost showed excellent performance in comparison with other models. The best Si-BP-AdaBoost model was achieved with Rp = 0.9180 and RMSEP = 2.23 in the prediction set. It was concluded that NIR spectroscopy combined with Si-BP-AdaBoost was an appropriate method for the prediction of the sensory quality in Chinese rice wine.

[Near infrared reflectance spectroscopy (NIRS): a novel approach to reconstructing historical changes of primary productivity in Antarctic lake].

Science.gov (United States)

Chen, Qian-Qian; Liu, Xiao-Dong; Liu, Wen-Qi; Jiang, Shan

2011-10-01

Compared with traditional chemical analysis methods, reflectance spectroscopy has the advantages of speed, minimal or no sample preparation, non-destruction, and low cost. In order to explore the potential application of spectroscopy technology in the paleolimnological study on Antarctic lakes, we took a lake sediment core in Mochou Lake at Zhongshan Station of Antarctic, and analyzed the near infrared reflectance spectroscopy (NIRS) data in the sedimentary samples. The results showed that the factor loadings of principal component analysis (PCA) displayed very similar depth-profile change pattern with the S2 index, a reliable proxy for the change in historical lake primary productivity. The correlation analysis showed that the values of PCA factor loading and S2 were correlated significantly, suggesting that it is feasible to infer paleoproductivity changes recorded in Antarctic lakes using NIRS technology. Compared to the traditional method of the trough area between 650 and 700 nm, the authors found that the PCA statistical approach was more accurate for reconstructing the change in historical lake primary productivity. The results reported here demonstrate that reflectance spectroscopy can provide a rapid method for the reconstruction of lake palaeoenviro nmental change in the remote Antarctic regions.

Preliminary evaluation of optical glucose sensing in red cell concentrations using near-infrared diffuse-reflectance spectroscopy

Science.gov (United States)

Suzuki, Yusuke; Maruo, Katsuhiko; Zhang, Alice W.; Shimogaki, Kazushige; Ogawa, Hideto; Hirayama, Fumiya

2012-01-01

Bacterial contamination of blood products is one of the most frequent infectious complications of transfusion. Since glucose levels in blood supplies decrease as bacteria proliferate, it should be possible to detect the presence of bacterial contamination by measuring the glucose concentrations in the blood components. Hence this study is aimed to serve as a preliminary study for the nondestructive measurement of glucose level in transfusion blood. The glucose concentrations in red blood cell (RBC) samples were predicted using near-infrared diffuse-reflectance spectroscopy in the 1350 to 1850 nm wavelength region. Furthermore, the effects of donor, hematocrit level, and temperature variations among the RBC samples were observed. Results showed that the prediction performance of a dataset which contained samples that differed in all three parameters had a standard error of 29.3 mg/dL. Multiplicative scatter correction (MSC) preprocessing method was also found to be effective in minimizing the variations in scattering patterns created by various sample properties. The results suggest that the diffuse-reflectance spectroscopy may provide another avenue for the detection of bacterial contamination in red cell concentrations (RCC) products.

Skeletal Muscle Neurovascular Coupling, Oxidative Capacity, and Microvascular Function with 'One Stop Shop' Near-infrared Spectroscopy.

Science.gov (United States)

Rosenberry, Ryan; Chung, Susie; Nelson, Michael D

2018-02-20

Exercise represents a major hemodynamic stress that demands a highly coordinated neurovascular response in order to match oxygen delivery to metabolic demand. Reactive hyperemia (in response to a brief period of tissue ischemia) is an independent predictor of cardiovascular events and provides important insight into vascular health and vasodilatory capacity. Skeletal muscle oxidative capacity is equally important in health and disease, as it determines the energy supply for myocellular processes. Here, we describe a simple, non-invasive approach using near-infrared spectroscopy to assess each of these major clinical endpoints (reactive hyperemia, neurovascular coupling, and muscle oxidative capacity) during a single clinic or laboratory visit. Unlike Doppler ultrasound, magnetic resonance images/spectroscopy, or invasive catheter-based flow measurements or muscle biopsies, our approach is less operator-dependent, low-cost, and completely non-invasive. Representative data from our lab taken together with summary data from previously published literature illustrate the utility of each of these end-points. Once this technique is mastered, application to clinical populations will provide important mechanistic insight into exercise intolerance and cardiovascular dysfunction.

Noninvasive observation of skeletal muscle contraction using near-infrared time-resolved reflectance and diffusing-wave spectroscopy

Science.gov (United States)

Belau, Markus; Ninck, Markus; Hering, Gernot; Spinelli, Lorenzo; Contini, Davide; Torricelli, Alessandro; Gisler, Thomas

2010-09-01

We introduce a method for noninvasively measuring muscle contraction in vivo, based on near-infrared diffusing-wave spectroscopy (DWS). The method exploits the information about time-dependent shear motions within the contracting muscle that are contained in the temporal autocorrelation function g(1)(τ,t) of the multiply scattered light field measured as a function of lag time, τ, and time after stimulus, t. The analysis of g(1)(τ,t) measured on the human M. biceps brachii during repetitive electrical stimulation, using optical properties measured with time-resolved reflectance spectroscopy, shows that the tissue dynamics giving rise to the speckle fluctuations can be described by a combination of diffusion and shearing. The evolution of the tissue Cauchy strain e(t) shows a strong correlation with the force, indicating that a significant part of the shear observed with DWS is due to muscle contraction. The evolution of the DWS decay time shows quantitative differences between the M. biceps brachii and the M. gastrocnemius, suggesting that DWS allows to discriminate contraction of fast- and slow-twitch muscle fibers.

Near-infrared Raman spectroscopy to detect anti-Toxoplasma gondii antibodies in blood sera of domestic cats

Science.gov (United States)

Duarte, Janaina; Pacheco, Marcos T. T.; Silveira, Landulfo, Jr.; Machado, Rosangela Z.; Martins, Rodrigo A. L.; Zangaro, Renato A.; Villaverde, Antonio G. J. B.

2001-05-01

Near-infrared (NIR) Raman spectroscopy has been studied for the last years for many biomedical applications. It is a powerful tool for biological materials analysis. Toxoplasmosis is an important zoonosis in public health, cats being the principal responsible for the transmission of the disease in Brazil. The objective of this work is to investigate a new method of diagnosis of this disease. NIR Raman spectroscopy was used to detect anti Toxoplasma gondii antibodies in blood sera from domestic cats, without sample preparation. In all, six blood serum samples were used for this study. A previous serological test was done by the Indirect Immunoenzymatic Assay (ELISA) to permit a comparative study between both techniques and it showed that three serum samples were positive and the other three were negative to toxoplasmosis. Raman spectra were taken for all the samples and analyzed by using the principal components analysis (PCA). A diagnosis parameter was defined from the analysis of the second and third principal components of the Raman spectra. It was found that this parameter can detect the infection level of the animal. The results have indicated that NIR Raman spectroscopy, associated to the PCA can be a promising technique for serological analysis, such as toxoplasmosis, allowing a fast and sensitive method of diagnosis.

Nondestructive quantification of the soluble-solids content and the available acidity of apples by Fourier-transform near-infrared spectroscopy

Science.gov (United States)

Ying, Yibin; Liu, Yande; Tao, Yang

2005-09-01

This research evaluated the feasibility of using Fourier-transform near-infrared (FT-NIR) spectroscopy to quantify the soluble-solids content (SSC) and the available acidity (VA) in intact apples. Partial least-squares calibration models, obtained from several preprocessing techniques (smoothing, derivative, etc.) in several wave-number ranges were compared. The best models were obtained with the high coefficient determination (r) 0.940 for the SSC and a moderate r of 0.801 for the VA, root-mean-square errors of prediction of 0.272% and 0.053%, and root-mean-square errors of calibration of 0.261% and 0.046%, respectively. The results indicate that the FT-NIR spectroscopy yields good predictions of the SSC and also showed the feasibility of using it to predict the VA of apples.

Nondestructive quantification of the soluble-solids content and the available acidity of apples by Fourier-transform near-infrared spectroscopy

International Nuclear Information System (INIS)

Ying Yibin; Liu Yande; Tao Yang

2005-01-01

This research evaluated the feasibility of using Fourier-transform near-infrared (FT-NIR) spectroscopy to quantify the soluble-solids content (SSC) and the available acidity (VA) in intact apples. Partial least-squares calibration models, obtained from several preprocessing techniques (smoothing, derivative, etc.) in several wave-number ranges were compared. The best models were obtained with the high coefficient determination (r 2 ) 0.940 for the SSC and a moderate r 2 of 0.801 for the VA, root-mean-square errors of prediction of 0.272% and 0.053%, and root-mean-square errors of calibration of 0.261% and 0.046%, respectively. The results indicate that the FT-NIR spectroscopy yields good predictions of the SSC and also showed the feasibility of using it to predict the VA of apples

Prediction of heating value of straw by proximate data, and near infrared spectroscopy

International Nuclear Information System (INIS)

Huang Caijin; Han Lujia; Yang Zengling; Liu Xian

2008-01-01

Exploration of straw resources for energy production has been attracting agricultural scientists and engineers for decades. And the heating value of straw has always been the focus when initiating a straw-based biomass energy project. Nevertheless determination of heating values of straw needs delicate and expensive calorimeter, and is time-consuming. It's quite desirable to develop quick and easy model predicting heating values of straw. In this study, we proposed three applicable models, first two are multiple linear regression (MLR) equations by contents of moisture, ash, and volatile matter, the other one is based on the near infrared spectroscopy (NIRS) technology. All the models provide satisfactory estimations of heating values of straw samples. The adjusted determination coefficients for MLR models were 0.9049 and 0.9039, and determination coefficients of calibration for NIRS model was 0.9604; When evaluated on independent validation, the determination coefficients were 0.8595, 0.8524 and 0.8946, respectively. The results indicated that both MLR models and NIRS model have the potential to predict the heating values of straw, while the NIRS model presented better accuracy

Near-infrared spectroscopy (NIRS) for a real time monitoring of the biogas process.

Science.gov (United States)

Stockl, Andrea; Lichti, Fabian

2018-01-01

In this research project Near-infrared spectroscopy (NIRS) was applied to monitor the content of specific process parameters in anaerobic digestion. A laboratory scaled biogas digester was constantly fed every four hours with maize- and grass silage to keep a base load with an organic loading rate (OLR) of 2.5 kg oDM/m 3  ∗ d. Daily impact loads with shredded wheat up to an OLR of 8 kg oDM/m 3  ∗ d were added in order to generate peaks at the parameters tested. The developed calibration models are capable to show changes in process parameters like volatile fatty acids (VFA), propionic acid, total inorganic carbon (TIC) and the ratio of the volatile fatty acids to the carbonate buffer (VFA/TIC). Based on the calibration of the models for VFA and TIC, the values could be predicted with an R 2 of 0.94 and 0.97, respectively. Moreover, the residual prediction deviations were 4.0 and 6.0 for VFA and TIC, respectively. Copyright © 2017 Elsevier Ltd. All rights reserved.

Applying Fourier Transform Mid Infrared Spectroscopy to Detect the Adulteration of Salmo salar with Oncorhynchus mykiss

Science.gov (United States)

Moreira, Maria João

2018-01-01

The aim of this study was to evaluate the potential of Fourier transform infrared (FTIR) spectroscopy coupled with chemometric methods to detect fish adulteration. Muscles of Atlantic salmon (Salmo salar) (SS) and Salmon trout (Onconrhynchus mykiss) (OM) muscles were mixed in different percentages and transformed into mini-burgers. These were stored at 3 °C, then examined at 0, 72, 160, and 240 h for deteriorative microorganisms. Mini-burgers was submitted to Soxhlet extraction, following which lipid extracts were analyzed by FTIR. The principal component analysis (PCA) described the studied adulteration using four principal components with an explained variance of 95.60%. PCA showed that the absorbance in the spectral region from 721, 1097, 1370, 1464, 1655, 2805, to 2935, 3009 cm−1 may be attributed to biochemical fingerprints related to differences between SS and OM. The partial least squares regression (PLS-R) predicted the presence/absence of adulteration in fish samples of an external set with high accuracy. The proposed methods have the advantage of allowing quick measurements, despite the storage time of the adulterated fish. FTIR combined with chemometrics showed that a methodology to identify the adulteration of SS with OM can be established, even when stored for different periods of time. PMID:29621135

Ultrasound tagged near infrared spectroscopy does not detect hyperventilation-induced reduction in cerebral blood flow

DEFF Research Database (Denmark)

Lund, Anton; Secher, Niels H.; Hirasawa, Ai

2016-01-01

Introduction: Continuous non-invasive monitoring of cerebral blood flow (CBF) may be important during anaesthesia and several options are available. We evaluated the CerOx monitor that employs ultrasound tagged near infrared spectroscopy to estimate changes in a CBF index (CFI).Methods: Seven...... healthy males (age 21-26 years) hyperventilated and were administered phenylephrine to increase mean arterial pressure by 20-30 mmHg. Frontal lobe tissue oxygenation (ScO2) and CFI were obtained using the CerOx and mean blood flow velocity in the middle cerebral artery (MCAvmean) was determined....... Administration of phenylephrine was not associated with any changes in MCAvmean, ICAf, ECAf, ScO2, SkBF, SskinO2, or CFI.Conclusion: The CerOx was able to detect a stable CBF during administration of phenylephrine. However, during hyperventilation MCAvmean and ICAf decreased while CFI increased, likely due...

Comparison of torque measurements and near-infrared spectroscopy in characterization of a wet granulation process

DEFF Research Database (Denmark)

Jørgensen, Anna Cecilia; Luukkonen, Pirjo; Rantanen, Jukka

2004-01-01

The purpose of this study was to compare impeller torque measurements and near-infrared (NIR) spectroscopy in the characterization of the water addition phase of a wet granulation process. Additionally, the effect of hydrate formation during granulation on the impeller torque was investigated....... Anhydrous theophylline, alpha-lactose monohydrate, and microcrystalline cellulose (MCC) were used as materials for the study. The materials and mixtures of them were granulated using purified water in a small-scale high-shear mixer. The impeller torque was registered and NIR spectra of wet samples were...... recorded at-line. The torque and the NIR baseline-corrected water absorbances increased with increasing water content. A plateau in the NIR baseline-corrected water absorbances was observed for wet masses containing MCC. This was at the region of optimal water amount for granulation according to the torque...

Cross-correlation of motor activity signals from dc-magnetoencephalography, near-infrared spectroscopy, and electromyography.

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Sander, Tilmann H; Leistner, Stefanie; Wabnitz, Heidrun; Mackert, Bruno-Marcel; Macdonald, Rainer; Trahms, Lutz

2010-01-01

Neuronal and vascular responses due to finger movements were synchronously measured using dc-magnetoencephalography (dcMEG) and time-resolved near-infrared spectroscopy (trNIRS). The finger movements were monitored with electromyography (EMG). Cortical responses related to the finger movement sequence were extracted by independent component analysis from both the dcMEG and the trNIRS data. The temporal relations between EMG rate, dcMEG, and trNIRS responses were assessed pairwise using the cross-correlation function (CCF), which does not require epoch averaging. A positive lag on a scale of seconds was found for the maximum of the CCF between dcMEG and trNIRS. A zero lag is observed for the CCF between dcMEG and EMG. Additionally this CCF exhibits oscillations at the frequency of individual finger movements. These findings show that the dcMEG with a bandwidth up to 8 Hz records both slow and faster neuronal responses, whereas the vascular response is confirmed to change on a scale of seconds.

Skeletal Muscle Oxygen Saturation (StO2 Measured by Near-Infrared Spectroscopy in the Critically Ill Patients

Directory of Open Access Journals (Sweden)

J. Mesquida

2013-01-01

Full Text Available According to current critical care management guidelines, the overall hemodynamic optimization process seeks to restore macrocirculatory oxygenation, pressure, and flow variables. However, there is increasing evidence demonstrating that, despite normalization of these global parameters, microcirculatory and regional perfusion alterations might occur, and persistence of these alterations has been associated with worse prognosis. Such observations have led to great interest in testing new technologies capable of evaluating the microcirculation. Near-infrared spectroscopy (NIRS measures tissue oxygen saturation (StO2 and has been proposed as a noninvasive system for monitoring regional circulation. The present review aims to summarize the existing evidence on NIRS and its potential clinical utility in different scenarios of critically ill patients.

Effective rumen degradation of dry matter, crude protein and neutral detergent fibre in forage determined by near infrared reflectance spectroscopy

DEFF Research Database (Denmark)

Ohlsson, C; Houmøller, L P; Weisbjerg, Martin Riis

2007-01-01

The objective of the present study was to examine if near infrared reflectance spectroscopy (NIRS) could be used to predict degradation parameters and effective degradation from scans of original forage samples. Degradability of dry matter (DM), crude protein (CP) and neutral detergent fibre (NDF......) of 61 samples of perennial ryegrass (Lolium perenne L.) and orchardgrass (Dactylis glomerata L.) was tested by using the in situ technique. The grass samples were harvested at three different stages, early vegetative growth, early reproductive growth and late reproductive growth. Degradability...

Capillary-oxygenation-level-dependent near-infrared spectrometry in frontal lobe of humans

NARCIS (Netherlands)

Rasmussen, Peter; Dawson, Ellen A.; Nybo, Lars; van Lieshout, Johannes J.; Secher, Niels H.; Gjedde, Albert

2007-01-01

Brain function requires oxygen and maintenance of brain capillary oxygenation is important. We evaluated how faithfully frontal lobe near-infrared spectroscopy (NIRS) follows haemoglobin saturation (SCap) and how calculated mitochondrial oxygen tension (PMitoO2) influences motor performance. Twelve

Combining near-infrared spectroscopy with electroencephalography and repetitive transcranial magnetic stimulation

Science.gov (United States)

Näsi, Tiina; Kotilahti, Kalle; Mäki, Hanna; Nissilä, Ilkka; Meriläinen, Pekka

2009-07-01

The objective of the study was to assess the usability of a near-infrared spectroscopy (NIRS) device in multimodal measurements. We combined NIRS with electroencephalography (EEG) to record hemodynamic responses and evoked potentials simultaneously, and with transcranial magnetic stimulation (TMS) to investigate hemodynamic responses to repetitive TMS (rTMS). Hemodynamic responses and visual evoked potentials (VEPs) to 3, 6, and 12 s stimuli consisting of pattern-reversing checkerboards were successfully recorded in the NIRS/EEG measurement, and ipsi- and contralateral hemodynamic responses to 0.5, 1, and 2 Hz rTMS in the NIRS/TMS measurement. In the NIRS/EEG measurements, the amplitudes of the hemodynamic responses increased from 3- to 6-s stimulus, but not from 6- to 12-s stimulus, and the VEPs showed peaks N75, P100, and N135. In the NIRS/TMS measurements, the 2-Hz stimulus produced the strongest hemodynamic responses compared to the 0.5- and 1-Hz stimuli. In two subjects oxyhemoglobin concentration decreased and in one increased as a consequence of the 2-Hz rTMS. To locate the origin of the measured NIRS responses, methods have to be developed to investigate TMS-induced scalp muscle contractions. In the future, multimodal measurements may prove useful in monitoring or treating diseases such as stroke or Alzheimer's disease.

Coregistering functional near-infrared spectroscopy with underlying cortical areas in infants

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Lloyd-Fox, Sarah; Richards, John E.; Blasi, Anna; Murphy, Declan G. M.; Elwell, Clare E.; Johnson, Mark H.

2014-01-01

Abstract. Functional near-infrared spectroscopy (fNIRS) is becoming a popular tool in developmental neuroscience for mapping functional localized brain responses. However, as it cannot provide information about underlying anatomy, researchers have begun to conduct spatial registration of fNIRS channels to cortical anatomy in adults. The current work investigated this issue with infants by coregistering fNIRS and magnetic resonance imaging (MRI) data from 55 individuals. Our findings suggest that fNIRS channels can be reliably registered with regions in the frontal and temporal cortex of infants from 4 to 7 months of age. Although some macro-anatomical regions are difficult to consistently define, others are more stable and fNIRS channels on an age-appropriate MRI template are often consistent with individual infant MRIs. We have generated a standardized scalp surface map of fNIRS channel locators to reliably locate cortical regions for fNIRS developmental researchers. This new map can be used to identify the inferior frontal gyrus, superior temporal sulcus (STS) region [which includes the superior and middle temporal gyri (MTG) nearest to the STS], and MTG and temporal-parietal regions in 4- to 7-month-old infants. Future work will model data for the whole head, taking into account the properties of light transport in tissue, and expanding to different ages across development. PMID:25558463

Effects of improper source coupling in frequency-domain near-infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Noponen, T E J [Turku PET Centre, Turku University Hospital, PO BOX 52, 20521 Turku (Finland); Kotilahti, K; Nissilae, I; Merilaeinen, P T [Department of Biomedical Engineering and Computational Science, Aalto University, PO BOX 12200, 00076 Aalto (Finland); Kajava, T, E-mail: tommi.noponen@tyks.f [Department of Applied Physics, Aalto University, PO Box 15100, 00076 Aalto (Finland)

2010-05-21

Currently, there is no widely used method to assess the reliability of contact between optodes and tissue in near-infrared spectroscopy (NIRS). In this study we observe a high linear dependence (R{sup 2} {approx} 0.99) of the logarithmic modulation amplitude (ln(I{sub AC})), average intensity (ln(I{sub DC})) and phase ({phi}) on the source-detector distance (SDD) ranging from {approx}20 to 50 mm on human forehead measurements. The regression of {phi} is clearly reduced in measurements where light leakage occurs, mainly due to insufficient contact between the source optode and tissue. Utilizing this observation, a novel criterion to detect light leakage is developed. The criterion is applied to study the reliability of hemodynamic responses measured on the human forehead when breathing carbon dioxide-enriched air and during hyperventilation. The contrast of the signals is significantly lower in measurements which were adversely affected by light leakage. Furthermore, such unreliable signals at SDDs {>=} 50 mm correlate significantly (for [HbO{sub 2}] p < 0.01 and for [HbR] p < 0.001) better with the signals measured at SDDs < 20 mm. Using this method, poor contact between the source optode and tissue can be detected and corrected before the actual measurement, which enables us to avoid the acquisition of low contrast cortical signals.

Authentication of the botanical origin of unifloral honey by infrared spectroscopy coupled with support vector machine algorithm

International Nuclear Information System (INIS)

Lenhardt, L; Zeković, I; Dramićanin, T; Dramićanin, M D; Tešić, Ž; Milojković-Opsenica, D

2014-01-01

In recent years, the potential of Fourier-transform infrared spectroscopy coupled with different chemometric tools in food analysis has been established. This technique is rapid, low cost, and reliable and requires little sample preparation. In this work, 130 Serbian unifloral honey samples (linden, acacia, and sunflower types) were analyzed using attenuated total reflectance infrared spectroscopy (ATR-IR). For each spectrum, 64 scans were recorded in wavenumbers between 4000 and 500 cm −1 and at a spectral resolution of 4 cm −1 . These spectra were analyzed using principal component analysis (PCA), and calculated principal components were then used for support vector machine (SVM) training. In this way, the pattern-recognition tool is obtained for building a classification model for determining the botanical origin of honey. The PCA was used to analyze results and to see if the separation between groups of different types of honeys exists. Using the SVM, the classification model was built and classification errors were acquired. It has been observed that this technique is adequate for determining the botanical origin of honey with a success rate of 98.6%. Based on these results, it can be concluded that this technique offers many possibilities for future rapid qualitative analysis of honey. (paper)

Authentication of the botanical origin of unifloral honey by infrared spectroscopy coupled with support vector machine algorithm

Science.gov (United States)

Lenhardt, L.; Zeković, I.; Dramićanin, T.; Tešić, Ž.; Milojković-Opsenica, D.; Dramićanin, M. D.

2014-09-01

In recent years, the potential of Fourier-transform infrared spectroscopy coupled with different chemometric tools in food analysis has been established. This technique is rapid, low cost, and reliable and requires little sample preparation. In this work, 130 Serbian unifloral honey samples (linden, acacia, and sunflower types) were analyzed using attenuated total reflectance infrared spectroscopy (ATR-IR). For each spectrum, 64 scans were recorded in wavenumbers between 4000 and 500 cm-1 and at a spectral resolution of 4 cm-1. These spectra were analyzed using principal component analysis (PCA), and calculated principal components were then used for support vector machine (SVM) training. In this way, the pattern-recognition tool is obtained for building a classification model for determining the botanical origin of honey. The PCA was used to analyze results and to see if the separation between groups of different types of honeys exists. Using the SVM, the classification model was built and classification errors were acquired. It has been observed that this technique is adequate for determining the botanical origin of honey with a success rate of 98.6%. Based on these results, it can be concluded that this technique offers many possibilities for future rapid qualitative analysis of honey.

The employment of FTIR spectroscopy in combination with chemometrics for analysis of rat meat in meatball formulation.

Science.gov (United States)

Rahmania, Halida; Sudjadi; Rohman, Abdul

2015-02-01

For Indonesian community, meatball is one of the favorite meat food products. In order to gain economical benefits, the substitution of beef meat with rat meat can happen due to the different prices between rat meat and beef. In this present research, the feasibility of FTIR spectroscopy in combination with multivariate calibration of partial least square (PLS) was used for the quantitative analysis of rat meat in the binary mixture of beef in meatball formulation. Meanwhile, the chemometrics of principal component analysis (PCA) was used for the classification between rat meat and beef meatballs. Some frequency regions in mid infrared region were optimized, and finally, the frequency region of 750-1000 cm(-1) was selected during PLS and PCA modeling.For quantitative analysis, the relationship between actual values (x-axis) and FTIR predicted values (y-axis) of rat meat is described by the equation of y= 0.9417x+ 2.8410 with coefficient of determination (R2) of 0.993, and root mean square error of calibration (RMSEC) of 1.79%. Furthermore, PCA was successfully used for the classification of rat meat meatball and beef meatball.

Assessment of pesticide coating on cereal seeds by near infrared hyperspectral imaging

Directory of Open Access Journals (Sweden)

Ph. Vermeulen

2017-01-01

Full Text Available Classical chromatographic methods, such as ultra performance liquid chromatography (UPLC, are used as reference methods to assess seed quality and homogeneous pesticide coating of seeds. These methods have some important drawbacks since they are time consuming, expensive, destructive and require a substantial amount of solvent, among others. Near infrared (NIR spectroscopy seems to be an interesting alternative technique for the determination of the quality of seed treatment and avoids most of these drawbacks. The objective of this study was to assess the quality of pesticide coating treatment by near infrared hyperspectral imaging (NIR-HSI by analysing, on a seed-by-seed basis, several seeds simultaneously in comparison to NIR spectroscopy and UPLC as the reference method. To achieve this goal, discrimination—partial least squares discriminant analysis (PLS-DA—models and regression—partial least squares (PLS—models were developed. The results obtained by NIR-HSI are compared to the results obtained with NIR spectroscopy and UPLC instruments. This study has shown the potential of NIR hyperspectral imaging to assess the quality/homogeneity of the pesticide coating on seeds.

Effect of motion artifacts and their correction on near-infrared spectroscopy oscillation data: a study in healthy subjects and stroke patients.

Science.gov (United States)

Selb, Juliette; Yücel, Meryem A; Phillip, Dorte; Schytz, Henrik W; Iversen, Helle K; Vangel, Mark; Ashina, Messoud; Boas, David A

2015-05-01

Functional near-infrared spectroscopy is prone to contamination by motion artifacts (MAs). Motion correction algorithms have previously been proposed and their respective performance compared for evoked rain activation studies. We study instead the effect of MAs on "oscillation" data which is at the basis of functional connectivity and autoregulation studies. We use as our metric of interest the interhemispheric correlation (IHC), the correlation coefficient between symmetrical time series of oxyhemoglobin oscillations. We show that increased motion content results in a decreased IHC. Using a set of motion-free data on which we add real MAs, we find that the best motion correction approach consists of discarding the segments of MAs following a careful approach to minimize the contamination due to band-pass filtering of data from "bad" segments spreading into adjacent "good" segments. Finally, we compare the IHC in a stroke group and in a healthy group that we artificially contaminated with the MA content of the stroke group, in order to avoid the confounding effect of increased motion incidence in the stroke patients. After motion correction, the IHC remains lower in the stroke group in the frequency band around 0.1 and 0.04 Hz, suggesting a physiological origin for the difference. We emphasize the importance of considering MAs as a confounding factor in oscillation-based functional near-infrared spectroscopy studies.

Characterization and correction of the false-discovery rates in resting state connectivity using functional near-infrared spectroscopy

Science.gov (United States)

Santosa, Hendrik; Aarabi, Ardalan; Perlman, Susan B.; Huppert, Theodore J.

2017-05-01

Functional near-infrared spectroscopy (fNIRS) is a noninvasive neuroimaging technique that uses low levels of red to near-infrared light to measure changes in cerebral blood oxygenation. Spontaneous (resting state) functional connectivity (sFC) has become a critical tool for cognitive neuroscience for understanding task-independent neural networks, revealing pertinent details differentiating healthy from disordered brain function, and discovering fluctuations in the synchronization of interacting individuals during hyperscanning paradigms. Two of the main challenges to sFC-NIRS analysis are (i) the slow temporal structure of both systemic physiology and the response of blood vessels, which introduces false spurious correlations, and (ii) motion-related artifacts that result from movement of the fNIRS sensors on the participants' head and can introduce non-normal and heavy-tailed noise structures. In this work, we systematically examine the false-discovery rates of several time- and frequency-domain metrics of functional connectivity for characterizing sFC-NIRS. Specifically, we detail the modifications to the statistical models of these methods needed to avoid high levels of false-discovery related to these two sources of noise in fNIRS. We compare these analysis procedures using both simulated and experimental resting-state fNIRS data. Our proposed robust correlation method has better performance in terms of being more reliable to the noise outliers due to the motion artifacts.

New insight into protein-nanomaterial interactions with UV-visible spectroscopy and chemometrics: human serum albumin and silver nanoparticles.

Science.gov (United States)

Wang, Yong; Ni, Yongnian

2014-01-21

In recent years, great efforts have focused on the exploration and fabrication of protein nanoconjugates due to potential applications in many fields including bioanalytical science, biosensors, biocatalysis, biofuel cells and bio-based nanodevices. An important aspect of our understanding of protein nanoconjugates is to quantitatively understand how proteins interact with nanomaterials. In this report, human serum albumin (HSA) and citrate-coated silver nanoparticles (AgNPs) are selected as a case study of protein-nanomaterial interactions. UV-visible spectroscopy together with multivariate curve resolution by alternating least squares (MCR-ALS) algorithm is first exploited for the detailed study of AgNPs-HSA interactions. Introduction of the chemometrics tool allows extracting the kinetic profiles, spectra and distribution diagrams of two major absorbing pure species (AgNPs and AgNPs-HSA conjugate). These resolved profiles are then analysed to give the thermodynamic, kinetic and structural information of HSA binding to AgNPs. Transmission electron microscopy, circular dichroism spectroscopy and Fourier transform infrared spectroscopy are used to further characterize the complex system. Moreover, a sensitive spectroscopic biosensor for HSA is fabricated with the MCR-ALS resolved concentration of absorbing pure species. It is found that the linear range for the HSA nanosensor was from 1.9 nM to 45.0 nM with a detection limit of 0.9 nM. It is believed that the proposed method will play an important role in the fabrication and optimization of a robust nanobiosensor or cross-reactive sensors array for the detection and identification of biocomponents.

The investigation of brain-computer interface for motor imagery and execution using functional near-infrared spectroscopy

Science.gov (United States)

Zhang, Zhen; Jiao, Xuejun; Xu, Fengang; Jiang, Jin; Yang, Hanjun; Cao, Yong; Fu, Jiahao

2017-01-01

Functional near-infrared spectroscopy (fNIRS), which can measure cortex hemoglobin activity, has been widely adopted in brain-computer interface (BCI). To explore the feasibility of recognizing motor imagery (MI) and motor execution (ME) in the same motion. We measured changes of oxygenated hemoglobin (HBO) and deoxygenated hemoglobin (HBR) on PFC and Motor Cortex (MC) when 15 subjects performing hand extension and finger tapping tasks. The mean, slope, quadratic coefficient and approximate entropy features were extracted from HBO as the input of support vector machine (SVM). For the four-class fNIRS-BCI classifiers, we realized 87.65% and 87.58% classification accuracy corresponding to hand extension and finger tapping tasks. In conclusion, it is effective for fNIRS-BCI to recognize MI and ME in the same motion.

Combined wavelet transform-artificial neural network use in tablet active content determination by near-infrared spectroscopy.

Science.gov (United States)

Chalus, Pascal; Walter, Serge; Ulmschneider, Michel

2007-05-22

The pharmaceutical industry faces increasing regulatory pressure to optimize quality control. Content uniformity is a basic release test for solid dosage forms. To accelerate test throughput and comply with the Food and Drug Administration's process analytical technology initiative, attention is increasingly turning to nondestructive spectroscopic techniques, notably near-infrared (NIR) spectroscopy (NIRS). However, validation of NIRS using requisite linearity and standard error of prediction (SEP) criteria remains a challenge. This study applied wavelet transformation of the NIR spectra of a commercial tablet to build a model using conventional partial least squares (PLS) regression and an artificial neural network (ANN). Wavelet coefficients in the PLS and ANN models reduced SEP by up to 60% compared to PLS models using mathematical spectra pretreatment. ANN modeling yielded high-linearity calibration and a correlation coefficient exceeding 0.996.

Saphenous vein graft near-infrared spectroscopy imaging insights from the lipid core plaque association with clinical events near-infrared spectroscopy (ORACLE-NIRS) registry.

Science.gov (United States)

Danek, Barbara A; Karatasakis, Aris; Alame, Aya J; Nguyen-Trong, Phuong-Khanh J; Karacsonyi, Judit; Rangan, Bavana; Roesle, Michele; Atwell, Amy; Resendes, Erica; Martinez-Parachini, Jose Roberto; Iwnetu, Rahel; Kalsaria, Pratik; Siddiqui, Furqan; Muller, James E; Banerjee, Subhash; Brilakis, Emmanouil

2017-05-01

We sought to examine near-infrared spectroscopy (NIRS) imaging findings of aortocoronary saphenous vein grafts (SVGs). SVGs are prone to develop atherosclerosis similar to native coronary arteries. They have received little study using NIRS. We examined the clinical characteristics and imaging findings from 43 patients who underwent NIRS imaging of 45 SVGs at our institution between 2009 and 2016. The mean patient age was 67 ± 7 years and 98% were men, with high prevalence of diabetes mellitus (56%), hypertension (95%), and dyslipidemia (95%). Mean SVG age was 7 ± 7 years, mean SVG lipid core burden index (LCBI) was 53 ± 60 and mean maxLCBI 4 mm was 194 ± 234. Twelve SVGs (27%) had lipid core plaques (2 yellow blocks on the block chemogram), with a higher prevalence in SVGs older than 5 years (46% vs. 5%, P = 0.002). Older SVG age was associated with higher LCBI (r = 0.480, P < 0.001) and higher maxLCBI 4 mm (r = 0.567, P < 0.001). On univariate analysis, greater annual total cholesterol exposure was associated with higher SVG LCBI (r = 0.30, P = 0.042) and annual LDL-cholesterol and triglyceride exposure were associated with higher SVG maxLCBI 4 mm (LDL-C: r = 0.41, P = 0.020; triglycerides: r = 0.36, P = 0.043). On multivariate analysis, the only independent predictor of SVG LCBI and maxLCBI 4mm was SVG age. SVG percutaneous coronary intervention was performed in 63% of the patients. An embolic protection device was used in 96% of SVG PCIs. Periprocedural myocardial infarction occurred in one patient. Older SVG age and greater lipid exposure are associated with higher SVG lipid burden. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Non-destructive and rapid prediction of moisture content in red pepper (Capsicum annuum L.) powder using near-infrared spectroscopy and a partial least squares regression model

Science.gov (United States)

Purpose: The aim of this study was to develop a technique for the non-destructive and rapid prediction of the moisture content in red pepper powder using near-infrared (NIR) spectroscopy and a partial least squares regression (PLSR) model. Methods: Three red pepper powder products were separated in...

Non-linear calibration models for near infrared spectroscopy

DEFF Research Database (Denmark)

Ni, Wangdong; Nørgaard, Lars; Mørup, Morten

2014-01-01

by ridge regression (RR). The performance of the different methods is demonstrated by their practical applications using three real-life near infrared (NIR) data sets. Different aspects of the various approaches including computational time, model interpretability, potential over-fitting using the non-linear...... models on linear problems, robustness to small or medium sample sets, and robustness to pre-processing, are discussed. The results suggest that GPR and BANN are powerful and promising methods for handling linear as well as nonlinear systems, even when the data sets are moderately small. The LS......-SVM), relevance vector machines (RVM), Gaussian process regression (GPR), artificial neural network (ANN), and Bayesian ANN (BANN). In this comparison, partial least squares (PLS) regression is used as a linear benchmark, while the relationship of the methods is considered in terms of traditional calibration...

Mid-infrared and near-infrared spectroscopic study of selected magnesium carbonate minerals containing ferric iron-Implications for the geosequestration of greenhouse gases.

Science.gov (United States)

Frost, Ray L; Reddy, B Jagannadha; Bahfenne, Silmarilly; Graham, Jessica

2009-04-01

The proposal to remove greenhouse gases by pumping liquefied CO(2) several kilometres below the ground implies that many carbonate containing minerals will be formed. Among these minerals brugnatellite and coalingite are probable. Two ferric ion bearing minerals brugnatellite and coalingite with a hydrotalcite-like structure have been characterised by a combination of infrared and near-infrared (NIR) spectroscopy. The infrared spectra of the OH stretching region are characterised by OH and water stretching vibrations. Both the first and second fundamental overtones of these bands are observed in the NIR spectra in the 7030-7235 cm(-1) and 10,490-10,570 cm(-1) regions. Intense (CO(3))(2-) symmetric and antisymmetric stretching vibrations support the concept that the carbonate ion is distorted. The position of the water bending vibration indicates the water is strongly hydrogen bonded in the mineral structure. Split NIR bands at around 8675 and 11,100 cm(-1) indicate that some replacement of magnesium ions by ferrous ions in the mineral structure has occurred. Near-infrared spectroscopy is ideal for the assessment of the formation of carbonate minerals.

High-speed high-sensitivity infrared spectroscopy using mid-infrared swept lasers (Conference Presentation)

Science.gov (United States)

Childs, David T. D.; Groom, Kristian M.; Hogg, Richard A.; Revin, Dmitry G.; Cockburn, John W.; Rehman, Ihtesham U.; Matcher, Stephen J.

2016-03-01

Infrared spectroscopy is a highly attractive read-out technology for compositional analysis of biomedical specimens because of its unique combination of high molecular sensitivity without the need for exogenous labels. Traditional techniques such as FTIR and Raman have suffered from comparatively low speed and sensitivity however recent innovations are challenging this situation. Direct mid-IR spectroscopy is being speeded up by innovations such as MEMS-based FTIR instruments with very high mirror speeds and supercontinuum sources producing very high sample irradiation levels. Here we explore another possible method - external cavity quantum cascade lasers (EC-QCL's) with high cavity tuning speeds (mid-IR swept lasers). Swept lasers have been heavily developed in the near-infrared where they are used for non-destructive low-coherence imaging (OCT). We adapt these concepts in two ways. Firstly by combining mid-IR quantum cascade gain chips with external cavity designs adapted from OCT we achieve spectral acquisition rates approaching 1 kHz and demonstrate potential to reach 100 kHz. Secondly we show that mid-IR swept lasers share a fundamental sensitivity advantage with near-IR OCT swept lasers. This makes them potentially able to achieve the same spectral SNR as an FTIR instrument in a time x N shorter (N being the number of spectral points) under otherwise matched conditions. This effect is demonstrated using measurements of a PDMS sample. The combination of potentially very high spectral acquisition rates, fundamental SNR advantage and the use of low-cost detector systems could make mid-IR swept lasers a powerful technology for high-throughput biomedical spectroscopy.

Extra-cerebral oxygenation influence on near-infrared-spectroscopy-determined frontal lobe oxygenation in healthy volunteers

DEFF Research Database (Denmark)

Sørensen, Henrik; Rasmussen, Peter; Siebenmann, Christoph

2015-01-01

INTRODUCTION: Frontal lobe oxygenation (Sc O2 ) is assessed by spatially resolved near-infrared spectroscopy (SR-NIRS) although it seems influenced by extra-cerebral oxygenation. We aimed to quantify the impact of extra-cerebral oxygenation on two SR-NIRS derived Sc O2 . METHODS: Multiple...... regression analysis estimated the influence of extra-cerebral oxygenation as exemplified by skin oxygenation (Sskin O2 ) on Sc O2 in 21 healthy subjects exposed to whole-body exercise in hypoxia (Fi O2 = 12%; n = 10) and normoxia (n = 12), whole-body heating, hyperventilation (n = 21), administration...... of norepinephrine with and without petCO2 -correction (n = 15), phenylephrine and head-up tilt (n = 7). Sc O2 was assessed simultaneously by NIRO-200NX (Sniro O2 ) and INVOS-4100 (Sinvos O2 ). Arterial (Sa O2 ) and jugular bulb oxygen saturations (Sj O2 ) were obtained. RESULTS: The regression analysis indicated...

Functional connectivity in the prefrontal cortex measured by near-infrared spectroscopy during ultrarapid object recognition

Science.gov (United States)

Medvedev, Andrei V.; Kainerstorfer, Jana M.; Borisov, Sergey V.; Vanmeter, John

2011-01-01

Near-infrared spectroscopy (NIRS) is a developing technology for low-cost noninvasive functional brain imaging. With multichannel optical instruments, it becomes possible to measure not only local changes in hemoglobin concentrations but also temporal correlations of those changes in different brain regions which gives an optical analog of functional connectivity traditionally measured by fMRI. We recorded hemodynamic activity during the Go-NoGo task from 11 right-handed subjects with probes placed bilaterally over prefrontal areas. Subjects were detecting animals as targets in natural scenes pressing a mouse button. Data were low-pass filtered right versus left hemisphere. Intra- and interhemispheric functional connectivity was also significantly stronger during the task compared to baseline. Functional connectivity between the inferior and the middle frontal regions was significantly stronger in the right hemisphere. Our results demonstrate that optical methods can be used to detect transient changes in functional connectivity during rapid cognitive processes.

Change of tumor vascular reactivity during tumor growth and postchemotherapy observed by near-infrared spectroscopy

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Lee, Songhyun; Jeong, Hyeryun; Seong, Myeongsu; Kim, Jae Gwan

2017-12-01

Breast cancer is one of the most common cancers in females. To monitor chemotherapeutic efficacy for breast cancer, medical imaging systems such as x-ray mammography, computed tomography, magnetic resonance imaging, and ultrasound imaging have been used. Currently, it can take up to 3 to 6 weeks to see the tumor response from chemotherapy by monitoring tumor volume changes. We used near-infrared spectroscopy (NIRS) to predict breast cancer treatment efficacy earlier than tumor volume changes by monitoring tumor vascular reactivity during inhalational gas interventions. The results show that the amplitude of oxy-hemoglobin changes (vascular reactivity) during hyperoxic gas inhalation is well correlated with tumor growth and responded one day earlier than tumor volume changes after chemotherapy. These results may imply that NIRS with respiratory challenges can be useful in early detection of tumor and in the prediction of tumor response to chemotherapy.

Determination of alcohol and extract concentration in beer samples using a combined method of near-infrared (NIR) spectroscopy and refractometry.

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Castritius, Stefan; Kron, Alexander; Schäfer, Thomas; Rädle, Matthias; Harms, Diedrich

2010-12-22

A new approach of combination of near-infrared (NIR) spectroscopy and refractometry was developed in this work to determine the concentration of alcohol and real extract in various beer samples. A partial least-squares (PLS) regression, as multivariate calibration method, was used to evaluate the correlation between the data of spectroscopy/refractometry and alcohol/extract concentration. This multivariate combination of spectroscopy and refractometry enhanced the precision in the determination of alcohol, compared to single spectroscopy measurements, due to the effect of high extract concentration on the spectral data, especially of nonalcoholic beer samples. For NIR calibration, two mathematical pretreatments (first-order derivation and linear baseline correction) were applied to eliminate light scattering effects. A sample grouping of the refractometry data was also applied to increase the accuracy of the determined concentration. The root mean squared errors of validation (RMSEV) of the validation process concerning alcohol and extract concentration were 0.23 Mas% (method A), 0.12 Mas% (method B), and 0.19 Mas% (method C) and 0.11 Mas% (method A), 0.11 Mas% (method B), and 0.11 Mas% (method C), respectively.

Assessment of the dynamics of human glymphatic system by near-infrared spectroscopy.

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Myllylä, Teemu; Harju, Markus; Korhonen, Vesa; Bykov, Alexander; Kiviniemi, Vesa; Meglinski, Igor

2017-08-12

Fluctuations in brain water content has attracted increasing interest, particularly as regards studies of the glymphatic system, which is connected with the complex organization of dural lymphatic vessels, responsible for cleaning tissue. Disturbances of glymphatic circulation are associated with several brain disorders, including dementia. This article introduces an approach to noninvasive measurement of water dynamics in the human brain utilizing near-infrared spectroscopy (NIRS). We demonstrate the possibility to sense dynamic variations of water content between the skull and grey matter, for instance, in the subarachnoid space. Measured fluctuations in water content, especially in the cerebrospinal fluid (CSF), are assumed to be correlated with the dynamics of glymphatic circulation. The sampling volume for the NIRS optode was estimated by Monte Carlo modelling for the wavelengths of 660, 740, 830 and 980 nm. In addition, using combinations of these wavelengths, this article presents the calculation models for quantifying water and haemodynamics. The presented NIRS technique allows long-term functional brain monitoring, including sleeping time. Furthermore, it is used in combination with different magnetic neuroimaging techniques, particularly magnetic resonance encephalography. Using the combined setup, we report the preliminary results on the interaction between CSF and blood oxygen level-dependent fluctuations. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Application of FTIR Spectroscopy and Chemometrics for Halal Authentication of Beef Meatball Adulterated with Dog Meat

OpenAIRE

Rahayu, Wiranti Sri; Rohman, Abdul; Martono, Sudibyo; Sudjadi, Sudjadi

2018-01-01

Beef meatball is one of the favorite meat-based food products among Indonesian community. Currently, beef is very expensive in Indonesian market compared to other common meat types such as chicken and lamb. This situation has intrigued some unethical meatball producers to replace or adulterate beef with lower priced-meat like dog meat. The objective of this study was to evaluate the capability of FTIR spectroscopy combined with chemometrics for identification and quantification of dog meat (D...

Numerical modeling of polymorphic transformation of oleic acid via near-infrared spectroscopy and factor analysis

Science.gov (United States)

Liu, Ling; Cheng, Yuliang; Sun, Xiulan; Pi, Fuwei

2018-05-01

Near-infrared (NIR) spectroscopy as a tool for direct and quantitatively screening the minute polymorphic transitions of bioactive fatty acids was assessed basing on a thermal heating process of oleic acid. Temperature-dependent NIR spectral profiles indicate that dynamical variances of COOH group dominate its γ → α phase transition, while the transition from active α to β phase mainly relates to the conformational transfer of acyl chain. Through operating multivariate curve resolution-alternating least squares with factor analysis, instantaneous contribution of each active polymorph during the transition process was illustrated for displaying the progressive evolutions of functional groups. Calculated contributions reveal that the α phase of oleic acid initially is present at around -18 °C, but sharply grows up around -2.2 °C from the transformation of γ phase and finally disappears at the melting point. On the other hand, the β phase of oleic acid is sole self-generation after melt even it embryonically appears at -2.2 °C. Such mathematical approach based on NIR spectroscopy and factor analysis calculation provides a volatile strategy in quantitatively exploring the transition processes of bioactive fatty acids; meanwhile, it maintains promising possibility for instantaneous quantifying each active polymorph of lipid materials.

Role of excipients in hydrate formation kinetics of theophylline in wet masses studied by near-infrared spectroscopy

DEFF Research Database (Denmark)

Jørgensen, Anna C; Airaksinen, Sari; Karjalainen, Milja

2004-01-01

. Anhydrous theophylline was chosen as the hydrate-forming model drug compound and two excipients, silicified microcrystalline cellulose (SMCC) and alpha-lactose monohydrate, with different water absorbing properties, were used in formulation. An early stage of wet massing was studied with anhydrous...... theophylline and its 1:1 (w/w) mixtures with alpha-lactose monohydrate and SMCC with 0.1g/g of purified water. The changes in the state of water were monitored using near-infrared spectroscopy, and the conversion of the crystal structure was verified using X-ray powder diffraction (XRPD). SMCC decreased...... the hydrate formation rate by absorbing water, but did not inhibit it. The results suggest that alpha-lactose monohydrate slightly increased the hydrate formation rate in comparison with a mass comprising only anhydrous theophylline....

Design and fabrication of a real-time measurement system for the capsaicinoid content of Korean red pepper (Capsicum annuum L.) powder by visible and near-infrared spectroscopy

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This research aims to design and fabricate a system to measure the capsaicinoid content of red pepper powder in a non-destructive and rapid method through visible and near infrared spectroscopy (VNIR). The developed system scans a well-leveled powder surface continuously to minimize the influence of...

Up-regulation of cerebral cytochrome-c-oxidase and hemodynamics by transcranial infrared laser stimulation: A broadband near-infrared spectroscopy study.

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Wang, Xinlong; Tian, Fenghua; Reddy, Divya D; Nalawade, Sahil S; Barrett, Douglas W; Gonzalez-Lima, Francisco; Liu, Hanli

2017-12-01

Transcranial infrared laser stimulation (TILS) is a noninvasive form of brain photobiomulation. Cytochrome-c-oxidase (CCO), the terminal enzyme in the mitochondrial electron transport chain, is hypothesized to be the primary intracellular photoacceptor. We hypothesized that TILS up-regulates cerebral CCO and causes hemodynamic changes. We delivered 1064-nm laser stimulation to the forehead of healthy participants ( n = 11), while broadband near-infrared spectroscopy was utilized to acquire light reflectance from the TILS-treated cortical region before, during, and after TILS. Placebo experiments were also performed for accurate comparison. Time course of spectroscopic readings were analyzed and fitted to the modified Beer-Lambert law. With respect to the placebo readings, we observed (1) significant increases in cerebral concentrations of oxidized CCO (Δ[CCO]; >0.08 µM; p 0.8 µM; p 0.5 µM; p < 0.01) during and after TILS, and (2) linear interplays between Δ[CCO] versus Δ[HbO] and between Δ[CCO] versus Δ[HbT]. Ratios of Δ[CCO]/Δ[HbO] and Δ[CCO]/Δ[HbT] were introduced as TILS-induced metabolic-hemodynamic coupling indices to quantify the coupling strength between TILS-enhanced cerebral metabolism and blood oxygen supply. This study provides the first demonstration that TILS causes up-regulation of oxidized CCO in the human brain, and contributes important insight into the physiological mechanisms.

Fourier transform infrared spectroscopy and chemometrics for the characterization and discrimination of writing/photocopier paper types: Application in forensic document examinations.

Science.gov (United States)

Kumar, Raj; Kumar, Vinay; Sharma, Vishal

2017-01-05

The aim of the present work is to explore the non-destructive application of ATR-FTIR technique for characterization and discrimination of paper samples which could be helpful to give forensic aid in resolving legal cases. Twenty-four types of paper brands were purchased from local market in and around Chandigarh, India. All the paper samples were subjected to ATR-FTIR analysis from 400 to 4000cm(-1) wavenumber range. The qualitative feature and Chemometrics of the obtained spectral data are used for characterization and discrimination. Characterization is achieved by matching the peaks with standards of cellulose and inorganic fillers, a usual constituents of paper. Three different regions of IR, i.e. 400-2000cm(-1), 2000-4000cm(-1) and 400-4000cm(-1) were selected for differentiation by Chemometrics analysis. The discrimination is achieved on the basis of three principal components, i.e. PC 1, PC 2 and PC 3. It is observed that maximum discrimination was procured in the wave number range of i.e. 2000-4000cm(-1). Discriminating power was calculated on the basis of qualitative features as well, and it is found that the discrimination of paper samples was better achieved by Chemometrics analysis rather than qualitative features. The discriminating power by Chemometrics is 99.64% and which is larger as ever achieved by any group for present number of samples. The present result confirms that this study will be highly useful in forensic document examination work in the legal cases, where the authenticity of the document is challenged. The results are completely analytical and, therefore, overcome the problem encounter in traditional routine light/radiation scanning methods which are still in practice by various questioned document laboratories. Copyright © 2016 Elsevier B.V. All rights reserved.

Fourier transform infrared spectroscopy and chemometrics for the characterization and discrimination of writing/photocopier paper types: Application in forensic document examinations

Science.gov (United States)

Kumar, Raj; Kumar, Vinay; Sharma, Vishal

2017-01-01

The aim of the present work is to explore the non-destructive application of ATR-FTIR technique for characterization and discrimination of paper samples which could be helpful to give forensic aid in resolving legal cases. Twenty-four types of paper brands were purchased from local market in and around Chandigarh, India. All the paper samples were subjected to ATR-FTIR analysis from 400 to 4000 cm- 1 wavenumber range. The qualitative feature and Chemometrics of the obtained spectral data are used for characterization and discrimination. Characterization is achieved by matching the peaks with standards of cellulose and inorganic fillers, a usual constituents of paper. Three different regions of IR, i.e. 400-2000 cm- 1, 2000-4000 cm- 1 and 400-4000 cm- 1 were selected for differentiation by Chemometrics analysis. The discrimination is achieved on the basis of three principal components, i.e. PC 1, PC 2 and PC 3. It is observed that maximum discrimination was procured in the wave number range of i.e. 2000-4000 cm- 1. Discriminating power was calculated on the basis of qualitative features as well, and it is found that the discrimination of paper samples was better achieved by Chemometrics analysis rather than qualitative features. The discriminating power by Chemometrics is 99.64% and which is larger as ever achieved by any group for present number of samples. The present result confirms that this study will be highly useful in forensic document examination work in the legal cases, where the authenticity of the document is challenged. The results are completely analytical and, therefore, overcome the problem encounter in traditional routine light/radiation scanning methods which are still in practice by various questioned document laboratories.

Physical properties of emission-line galaxies at z ∼ 2 from near-infrared spectroscopy with Magellan fire

Energy Technology Data Exchange (ETDEWEB)

Masters, Daniel; Siana, Brian; Mobasher, Bahram; Domínguez, Alberto [Department of Physics and Astronomy, University of California, Riverside, CA 92521 (United States); McCarthy, Patrick; Blanc, Guillermo; Dressler, Alan [Carnegie Observatories, Pasadena, CA 91101 (United States); Malkan, Mathew; Ross, Nathaniel R. [Department of Physics and Astronomy, UCLA, Los Angeles, CA 90095 (United States); Atek, Hakim [Laboratoire d' Astrophysique Ecole Polytechnique Fédérale, CH-1290 Sauverny (Switzerland); Henry, Alaina [Astrophysics Science Division, Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Martin, Crystal L. [Department of Physics, Universitey of California, Santa Barbara, CA 93106 (United States); Rafelski, Marc; Colbert, James [Spitzer Science Center, California Institute of Technology, Pasadena, CA 91125 (United States); Hathi, Nimish P. [Aix Marseille Université, CNRS, LAM (Laboratoire d' Astrophysique de Marseille) UMR 7326, F-13388 Marseille (France); Scarlata, Claudia [Minnesota Institute for Astrophysics, University of Minnesota, Minneapolis, MN 55455 (United States); Bunker, Andrew J. [Department of Physics, University of Oxford (United Kingdom); Bedregal, Alejandro G. [Department of Physics and Astronomy, Tufts University, Medford, MA 02155 (United States); Teplitz, Harry [Infrared Processing and Analysis Center, Caltech, Pasadena, CA 91125 (United States)

2014-04-20

We present results from near-infrared spectroscopy of 26 emission-line galaxies at z ∼ 2.2 and z ∼ 1.5 obtained with the Folded-port InfraRed Echellette (FIRE) spectrometer on the 6.5 m Magellan Baade telescope. The sample was selected from the WFC3 Infrared Spectroscopic Parallels survey, which uses the near-infrared grism of the Hubble Space Telescope Wide Field Camera 3 (WFC3) to detect emission-line galaxies over 0.3 ≲ z ≲ 2.3. Our FIRE follow-up spectroscopy (R ∼ 5000) over 1.0-2.5 μm permits detailed measurements of the physical properties of the z ∼ 2 emission-line galaxies. Dust-corrected star formation rates for the sample range from ∼5-100 M {sub ☉} yr{sup –1} with a mean of 29 M {sub ☉} yr{sup –1}. We derive a median metallicity for the sample of 12 + log(O/H) = 8.34 or ∼0.45 Z {sub ☉}. The estimated stellar masses range from ∼10{sup 8.5}-10{sup 9.5} M {sub ☉}, and a clear positive correlation between metallicity and stellar mass is observed. The average ionization parameter measured for the sample, log U ≈ –2.5, is significantly higher than what is found for most star-forming galaxies in the local universe, but similar to the values found for other star-forming galaxies at high redshift. We derive composite spectra from the FIRE sample, from which we measure typical nebular electron densities of ∼100-400 cm{sup –3}. Based on the location of the galaxies and composite spectra on diagnostic diagrams, we do not find evidence for significant active galactic nucleus activity in the sample. Most of the galaxies, as well as the composites, are offset diagram toward higher [O III]/Hβ at a given [N II]/Hα, in agreement with other observations of z ≳ 1 star-forming galaxies, but composite spectra derived from the sample do not show an appreciable offset from the local star-forming sequence on the [O III]/Hβ versus [S II]/Hα diagram. We infer a high nitrogen-to-oxygen abundance ratio from the composite spectrum, which

Predictive evaluation of pharmaceutical properties of direct compression tablets containing theophylline anhydrate during storage at high humidity by near-infrared spectroscopy.