Journal of Near Infrared Spectroscopy最新文献

{"title":"Investigation of Heat-Treated Cultivation Medium for Mammalian Cells with near Infrared Spectroscopy","authors":"É. Szabó, László Párta, Dénes Zalai, S. Gergely, A. Salgó","doi":"10.1255/jnirs.1222","DOIUrl":"https://doi.org/10.1255/jnirs.1222","url":null,"abstract":"A chemically defined medium powder for Chinese hamster ovary (CHO) cell cultivation was investigated regarding its response to heat treatments with different exposure times (1 hour, 7 hours and 13 hours) and temperatures (30 °C, 50 °C and 70 °C). The heat treatments were performed according to a design of experiments approach. Spectra of the control and the treated powders were collected to compare the sample groups using a dispersive and a Fourier transform (FT) near infrared (NIR) spectrometer. Multivariate data analysis including unsupervised classification as principal component analysis and supervised classification as soft independent modelling of class analogy was employed to identify the treatment-induced variations in the samples. Samples were separated according to the temperature set points of heat treatments and the control samples were successfully discriminated based on second-derivative NIR spectra. In order to evaluate the impact of the treatments on the growth rate of CHO cells, shake flask cultivation experiments were also performed. The viable cell density results showed that both treatment temperature and treatment duration were significant factors (p = 0.05). Additionally, the sensitivity of change detection for medium powders was higher in the case of NIR and FT-NIR measurement and spectrum analysis compared to traditional shake flask cultivation.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2016-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1255/jnirs.1222","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66231040","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Region of Interest Detection and Evaluation in Functional near Infrared Spectroscopy","authors":"R. Rojas, Xu Huang, K. Ou","doi":"10.1255/jnirs.1239","DOIUrl":"https://doi.org/10.1255/jnirs.1239","url":null,"abstract":"This paper describes the use of a computational method based on an optical flow algorithm to detect regions of interest in near infrared (NIR) spectroscopy. The evaluation of such method is also presented. Visual inspection and cross correlation analysis of NIR cortical activation images were used to evaluate our method. The visual analysis exposed pain-related activations in the primary somatosensory cortex (S1) after stimulation which is consistent with similar studies, and the cross correlation results showed dominant channels on both cerebral hemispheres. Optical flow exhibited the nature of the dominant channel, the extent of the stimulation spatial distribution and the stimulation status. In addition, the directions of the optical flow vectors were linked to the stimulation perception of the participant. The two evaluation methods confirmed the success of our method in finding the region of interest in both hemispheres. The results of this real case study show that the computational method can successfully analyse and detect regions of interest and show temporal interactions between channels, and could be employed to investigate pain assessment in human subjects.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2016-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1255/jnirs.1239","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66231618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Aquaphotomics Approach as a Tool for Studying the Influence of Food Coating Materials on Cheese and Winter Melon Samples","authors":"T. Cattaneo, M. Vanoli, M. Grassi, A. Rizzolo, S. Barzaghi","doi":"10.1255/jnirs.1238","DOIUrl":"https://doi.org/10.1255/jnirs.1238","url":null,"abstract":"Food packaging and coatings have the well-known and established functions of containment, protection and handling facilitation of the food packaged inside. Fast methods able to classify, sort and identify the quality and the stability characteristics associated with the various packaging and coating materials are required along the food chain in order to validate their properties. Innovative products deriving from organic polymers, recently submitted for Italian patent (no. 102015000018950), were used as coatings both in the food industry for two types of cheese (provola and caciotta) and in postharvest management to modulate fruit ripening of winter melons during storage at 13°C. This work aimed at studying the effect of the differences in performance and permeability properties of the coatings after their application and during the ripening and storage period by using near infrared spectroscopy and exploiting the aquaphotomics approach, where information on the absorption bands can provide a distinct knowledge of water vibrations and intrinsic interactions between water and other components of the aqueous system. Applying multivariate spectral analysis, it was found that changes of water matrix under perturbation reflect other molecules surrounded by water, allowing the identification of specific fingerprints associated with coating characteristics and with the ripening/storage trends. Each coating generated a specific fingerprint for the same product suggesting that aquagrams could be a useful and fast procedure able to distinguish the effects of different coating materials on the same matrices. It was also proved that starting from similar aquagrams it was possible to follow and monitor the storage trends.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2016-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1255/jnirs.1238","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66231558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Differences of Cortical Activation Pattern during the Use of Fork, Wooden Chopsticks and Metallic Chopsticks: A Functional near Infrared Spectroscopy Study","authors":"S. Jang, Seung Hyun Lee, Sang-Hyun Jin, Jung Pyo Seo, H. Seo, Pyung-Hun Chang, S. Yeo","doi":"10.1255/jnirs.1240","DOIUrl":"https://doi.org/10.1255/jnirs.1240","url":null,"abstract":"Eating utensils are usually used from early childhood and thereafter throughout life; therefore, clarification of the effect of use of eating utensils on the brain would be an important topic. Using functional near infrared spectroscopy, we attempted to compare patterns of cortical activation generated during the use of three eating utensils. Twenty healthy normal subjects were recruited. The experimental tasks included transfer of black beans using a fork, wooden chopsticks and stainless steel chopsticks. We measured values of oxyhaemoglobin (HbO) and total haemoglobin (HbT) in five regions of interest: the prefrontal cortex (PFC), frontal eye field (FEF), premotor cortex (PMC), supplementary motor area and primary sensorimotor cortex (SM1). HbO values in all five regions of interest were significantly higher during use of stainless steel chopsticks, compared with use of wooden chopsticks and a fork (p < 0.05). Regarding the analysis in each region of interest, higher activation was observed in the PFC and FEF during use of wooden chopsticks and stainless steel chopsticks than during use of a fork and wooden chopsticks, respectively, in terms of HbO and HbT (p < 0.05). HbO value during use of stainless steel chopsticks was higher than that during use of a fork in the PMC and SM1 (p < 0.05). Use of stainless steel chopsticks involves greater recruitment of neuronal activation in the cerebral cortex, compared with use of wooden chopsticks or a fork.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2016-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1255/jnirs.1240","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66231709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Application of Multiple Classifier Fusion in the Discriminant Analysis of near Infrared Spectroscopy for Agricultural Products","authors":"Li-li Luan, Yu-heng Wang, Xue-ying Li, Wenyan Hu, Kai Li, Jun-hui Li, Kai Yang, R. Shu, Longlian Zhao, C. Lao","doi":"10.1255/jnirs.1236","DOIUrl":"https://doi.org/10.1255/jnirs.1236","url":null,"abstract":"Near infrared spectroscopy combined with chemometrics and pattern recognition has become a primary focus in the discriminant analysis of agricultural products. To date, most studies have focused on using a single classifier to discriminate the origins, varieties and grades of products. Others have focused on using multiple classifier fusion by weighted voting. Due to their attributes of continuity and internal similarity, discriminant models sometimes present poor performance. In this study, we achieved better performance by applying multiple classifier fusion models, including support vector machine (SVM), discriminant partial least squares (DPLS) and principal component and Fisher criterion (PPF). PPF showed continuity and similarity among different parts of tobacco leaves [i.e. upper (B), cutter (C) and lug (X)]. The similarities between each class and the others were quantified to values, and the sum of the similarity values of each class was defined as its similarity. SVM–DPLS–PPF fusion by voting and similarity constraint for decision resulted in better performance, with the correct discriminant rate improved on average by 14.1%, 8.2%, 17.3% and 4.6% compared with those achieved using SVM, DPLS, PPF and SVM–DPLS–PPF fusion by weighted voting for decision, respectively; in addition, the incorrect discriminant rate between B and X was reduced to zero. Therefore, we demonstrated the feasibility of using SVM–DPLS–PPF fusion by voting and similarity constraint for decision to discriminate between different parts of tobacco leaves. This technique could provide a new method for tobacco quality management, computer-aided grading and intelligent acquisition. It also provides a new discriminant method for analysing the attributes of continuity and similarity of agricultural products using near infrared spectroscopy.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2016-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1255/jnirs.1236","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66231462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Three-Fibre-Based Diffuse Reflectance Spectroscopy for Estimation of Total Solid Content in Natural Rubber Latex","authors":"T. Inagaki, Daisuke Nozawa, Y. Shimomura, S. Tsuchikawa","doi":"10.1255/jnirs.1227","DOIUrl":"https://doi.org/10.1255/jnirs.1227","url":null,"abstract":"It is shown that three-fibre-based diffuse reflectance spectroscopy, based on spatially resolved near infrared spectroscopy in the wavelength range 850–1060 nm, is a promising method for the measurement of quality in natural rubber latex samples. Absorbance ratios were defined as the ratio of light intensity detected at distances ρ and ρ + Δ from the emitter fibre. A relative absorbance ratio γ was then calculated using the absorbance ratios at three wavelengths. Parameter γ had a strong linear correlation with total solid content in latex (range 0.3′-0.6 g g−1) with a coefficient of determination value of 0.98 and root mean square error for total solid content of 0.014 g g−1. Although the near infrared spectra measured by conventional transmission or reflectance spectroscopy were highly affected by the scattering coefficient in the sample, simulation results in this study showed that the effects of scattering in the samples on γ can be reduced.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2016-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1255/jnirs.1227","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66231176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Determination of Bilirubin Using near Infrared Diffuse Reflectance Spectroscopy with Selective Concentration on β-Cyclodextrin","authors":"Cuicui Wang, W. Cai, X. Shao","doi":"10.1255/jnirs.1224","DOIUrl":"https://doi.org/10.1255/jnirs.1224","url":null,"abstract":"Near infrared diffuse reflectance spectroscopy (NIR-DRS) is a convenient and fast quantitative method for direct analysis of complex samples. The low sensitivity of NIR-DRS, however, is a problem for micro-analysis. A method for improving the sensitivity of NIR-DRS is proposed using selective adsorption. The method makes use of an adsorbent containing β-cyclodextrin to achieve the specific adsorption of bilirubin (BR). Preconcentration of BR from an aqueous solution with complex matrix was achieved through hydrophobic interaction and hydrogen bonding. Then NIR-DRS of the adsorbate was conducted and a partial least squares model was built for quantitative prediction. Both the preconcentration and the specific adsorption improve the analysis. The former enhances the spectral response by enrichment, and the latter makes the NIR response less affected by interferences such as metal ions, glucose etc. The results for the validation samples were a coefficient of determination (r2) between the predicted and reference concentration of 0.98 with recoveries in the range 94.5′-107.5% in a concentration range of 3.30′-8.60 μg mL−1. The concentration that can be quantitatively detected was as low as 2.60 μg mL−1. Considering that the normal concentration range of BR in serum is 3.5′-10.0 μg mL−1, the method may provide a feasible tool for determination of BR in serum or other solution samples.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2016-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1255/jnirs.1224","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66231080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Prediction of Beef Fat Content Simultaneously under Static and Motion Conditions Using near Infrared Spectroscopy","authors":"Y. Dixit, Maria P. Casado-Gavalda, R. Cama-Moncunill, Xavier Cama-Moncunill, P. Cullen, C. Sullivan","doi":"10.1255/jnirs.1221","DOIUrl":"https://doi.org/10.1255/jnirs.1221","url":null,"abstract":"Fat content is one of the most important quality indicators for minced beef products. In this study, a multipoint near infrared (NIR) spectrophotometer system, based on a Fabry–Perot interferometer, combined with a four-point photodiode array detector and flexible collimator–probe arrangement, was used for real-time analysis of beef fat content. The system was employed to predict fat content of mixed minced beef samples concurrently under two different conditions: (a) static and slow motion and (b) static and fast motion. Additionally, a separate measurement was conducted to further test the independency of a collimator–probe arrangement by scanning two samples with different fat percentages concurrently under static and motion conditions. Partial least squares regression was employed, obtaining coefficients of determination in calibration (R2c) of 0.95, confirming a good fit for the three models. The fat contents of samples in the independent set were predicted with reasonable accuracy: r2 in the range 0.82–0.92 and standard error of prediction in the range 3.05–3.98%. Moreover, the spectral features observed for the probe independency test clearly illustrated the flexibility and independency of the collimator–probe arrangement. This study showed that the multipoint NIR spectroscopy system can predict beef fat content concurrently under static and motion conditions and illustrates its potential use as an in-line monitoring tool at various junctions in a meat processing plant.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2016-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1255/jnirs.1221","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66231021","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Improving the Prediction of Soil Organic Matter Using Visible and near Infrared Spectroscopy of Moist Samples","authors":"Changkun Wang, Xianzhang Pan","doi":"10.1255/jnirs.1184","DOIUrl":"https://doi.org/10.1255/jnirs.1184","url":null,"abstract":"Soil moisture reduces the accuracy of in situ measurements of soil properties using visible and near infrared reflectance spectroscopy and limits the application scope of existing soil spectral libraries built from air-dried samples. The preprocessing method of external parameter orthogonalisation (EPO) has been successfully used to improve the prediction of soil organic matter (SOM) in moist samples. However, the traditional strategy of EPO development (EPOI) requires a complex experimental design. In this study, we proposed a new EPO strategy (EPOII) that only uses a single sample but containing various soil moisture content (SMC) levels. Reflectance spectra (350– 2500 nm) of 130 samples with different SMC levels were measured in the laboratory. We built calibration models using air-dried samples and partial least squares regression before and after EPOI and EPOII, which were validated using air-dried samples and moist samples, respectively. For the validation of moist samples, we first classified the SMC into four groups (A: all SMC levels; B: SMC < 0.1 g g−1; C: 0.1 < SMC < 0.2 g g−1; and D: SMC > 0.2 g g−1) and then used a Monte Carlo method to simulate SMC distributions in the field with a result of 500 cases for each SMC group. Before EPO, an apparent decrease in the accuracy of the SOM predictions for moist samples occurred in each SMC group when using the calibration model derived from air-dried samples, compared with that of air-dried samples. Both EPOI and EPOII improved the SOM prediction of moist samples for most scenarios of SMC variations (groups A–C), but did not apply to the scenario with both large SMC variation and high SMC (group D). When considering EPOII, it could be a feasible strategy of EPO implementation for removing moisture effects on SOM prediction using visible and near infrared spectroscopy, although the degree of improvement was less than that from EPOI. Also, EPOII will pave the way as a standard pretreatment especially for soil spectra measured in the field when projection matrices of EPOII have been derived and incorporated in spectroscopy-related software.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2016-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1255/jnirs.1184","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66230454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Near Infrared Spectra and Soft Independent Modelling of Class Analogy for Discrimination of Chernozems, Luvisols and Vertisols","authors":"M. Todorova, S. Atanassova","doi":"10.1255/jnirs.1223","DOIUrl":"https://doi.org/10.1255/jnirs.1223","url":null,"abstract":"The objective of the present study was to use near infrared diffuse reflectance spectroscopy and chemometrics to distinguish three major soil types in Bulgaria – Chernozems, Luvisols and Vertisols. The diffuse reflectance spectra of 78 air-dried and sieved soil samples collected from grasslands and arable agricultural lands and classified as Chernozems, Luvisols and Vertisols were obtained in the spectral range 700–2500 nm. Second-derivative transformation of soil and clay spectra was performed in order to find soil spectral differences based on the clay minerals content. Soft independent modelling of class analogy (SIMCA) was performed to classify samples according to their classes. Results show that the samples can be distinguished according to their classes as the SIMCA models correctly classified 100% of the samples in both calibration and validation sets. According to the discrimination power parameter of the SIMCA procedure, the most important wavelengths in the classification models of Chernozem, Luvisol and Vertisol soils were related to the content of clay minerals such as kaolinite and montmorillonite, smectite minerals, organic matter and carbonates.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2016-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1255/jnirs.1223","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"66231059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}