Proceedings of the 18th International Conference on Near Infrared Spectroscopy最新文献

{"title":"Visualizing indirect correlations when predicting fatty acid composition from near infrared spectroscopy\u0000measurements","authors":"C. E. Eskildsen, T. Næs, J. Wold, N. K. Afseth, S. Engelsen","doi":"10.1255/NIR2017.039","DOIUrl":"https://doi.org/10.1255/NIR2017.039","url":null,"abstract":"Author Summary: In recent years, vibrational spectroscopy has been used to predict detailed sample composition like protein and fatty acid profiles. This study shows that fatty acid predictions from near infrared measurements in food stuffs rely on covariance structures amongst the fatty acids. These covariance structures, in turn, vary with factors like breed, age, feed, season etc. and therefore they are not likely to remain constant. Consequently, the robustness and validity of the developed calibration models will be compromised.","PeriodicalId":20429,"journal":{"name":"Proceedings of the 18th International Conference on Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73472023","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Near infrared spectroscopy: rethinking the analysis of sugarcane factory streams","authors":"S. Walford","doi":"10.1255/NIR2017.129","DOIUrl":"https://doi.org/10.1255/NIR2017.129","url":null,"abstract":"Author Summary: Near infrared spectroscopy (NIRS) for the simultaneous analysis of brix, pol, sucrose, glucose, fructose and ash in sugar factory processing streams has many advantages. The most important are the almost immediate reporting of results which can be used for process control, and the ability to analyse many samples over a short period for troubleshooting purposes. The Sugar Milling Research Institute NPC has developed and refined near infrared transmission spectroscopy models for the prediction of these analytes in sugarcane processing streams. The uptake of the technology in the sugar factory laboratories has proved challenging, requiring improved analyte prediction ranges, understanding the transfer of instrument results into factory information management systems and the introduction of a simplified sample dilution procedure. The NIRS technology has allowed for the development of toolkits for routine factory scale sucrose inversion studies and measurement of losses across centrifuges, previously difficult to implement.","PeriodicalId":20429,"journal":{"name":"Proceedings of the 18th International Conference on Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81064949","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fine-tuning and cloning of a fiber-optic probe for in situ monitoring and evaluation of quality of olive oil products","authors":"D. Pérez-Marín, J. A. Adame-Siles, F. Sánchez-Müller, F. Maroto-Molina, A. Garrido-Varo","doi":"10.1255/NIR2017.115","DOIUrl":"https://doi.org/10.1255/NIR2017.115","url":null,"abstract":"Author Summary: The control of conformity at reception of bulk olive oil before unloading is an essential step for packing plants to meet quality standards and ensure traceability. New approaches, different to sampling and analysis at-line, are needed to improve efficiency and decision-making processes. Near-infrared spectroscopy (NIRS) provides fast, cost-effective and in situ analytical measurements without sample preparation, which makes it an ideal technology towards this goal. The purpose of this work is to assess and optimize the spectral acquisition with a fiber-optic probe, especially designed to sample and analyze tank trucks. This probe features two fiber optic bundles, one of measurement and one of illumination. First of all, two olive oils samples, one of extra virgin and one of lampante category, were used to evaluate the noise and repeatability of the NIRS spectral signals of the target probe. A set of 20 spectra were recorded for each sample, and the sequence of measurements lampante-extra virgin was repeated three times per day for seven days spread over five weeks. The noise level was evaluated using a first derivative pre-treatment, and the optimum working range (after removing the noisy regions) was 1150–2149 nm. The Root Mean Square (RMS) statistic and the MEAN values were calculated in each case, and the spectral repeatability results showed that the RMS (MEAN) values for lampante were higher than for extra virgin olive oil (12,630 and 2998 μlog(1/R), respectively). Furthermore, a standardization procedure was performed to make a comparative study with a laboratory probe. Both probes were connected to a MATRIX-F Fourier transform-NIR instrument. A set of 42 samples of different nature were used for standardization purposes. Two matrices of standardization were developed, selecting 1 (STD1) and 10 (STD2) samples, and a validation set of 32 samples was used. The spectral adjustment was evaluated using the validation set by calculating the RMS(c) statistic. The RMS(c) values obtained in the master (laboratory probe, LP) versus satellite (in situ analysis probe, IAP) before standardization showed important differences that were significantly corrected by the best standardization matrix (STD1).","PeriodicalId":20429,"journal":{"name":"Proceedings of the 18th International Conference on Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85713146","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical and technical advancements of near infrared spectroscopy and its operational impact in industry","authors":"C. Huck","doi":"10.1255/nir2017.057","DOIUrl":"https://doi.org/10.1255/nir2017.057","url":null,"abstract":"Author Summary: In the industrial environment, near infrared spectroscopy (NIRS) on one hand enjoys increasing popularity due to its defined advantages over classical analytical techniques (e.g. chromatography) including fast, non-invasive and simultaneous determination of several physical and chemical parameters. On the other hand, hardly any other analytical discipline is making such fast and fundamental technical and theoretical advancements. Miniaturization of spectrometers down to light weight portable devices is achieved via micro-electro mechanical systems (MEMS) or linear variable filter (LVF) instruments, operating with restricted performance in a defined wavenumber range. Fast NIR imaging devices are becoming popular checking conformity and spatial distribution of ingredients. NIRS is also benefiting from theoretical advances including design of experiment (DOE) for systematic optimization purposes, special algorithms for calibration transfer between different types of spectrometers, and last but not least, quantum chemical approaches are becoming essential for distinct band assignments especially in case of complicated combination and overtone vibrations. Care must be taken about how these advancements can be successfully applied in the industrial environment.","PeriodicalId":20429,"journal":{"name":"Proceedings of the 18th International Conference on Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76880209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The structure of water in soft contact lenses: near infrared spectroscopy and Aquaphotomics study","authors":"J. Munćan, J. Rosic, I. Mileusnić, V. Matovic, L. Matija, R. Tsenkova","doi":"10.1255/NIR2017.099","DOIUrl":"https://doi.org/10.1255/NIR2017.099","url":null,"abstract":"Author Summary: This research paper reports the results of application of near infrared spectroscopy and Aquaphotomics to the study of the structure of water in hydrogel materials of soft contact lenses. The purpose of this research was to study and describe changes in water structure within hydrogel materials with low, medium and high water content. Near infrared spectroscopy provides a rapid, non-destructive and reagent-free method of characterisation, while the Aquaphotomics approach to the analysis of the spectra of hydrated contact lenses provides identification of different water molecular species within the complex water structure of hydrogels. Our results show the possibilities of applying Aquaphotomics for better description of the states of water in hydrogels, with more information about water than the currently prevailing “three states” model.","PeriodicalId":20429,"journal":{"name":"Proceedings of the 18th International Conference on Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83968804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigating the feasibility of using near-infrared spectroscopy for inline monitoring of the salt content in industrial\u0000process water","authors":"Kasper Borg Damkjær, K. Sørensen, S. Engelsen","doi":"10.1255/NIR2017.023","DOIUrl":"https://doi.org/10.1255/NIR2017.023","url":null,"abstract":"Author Summary: Fast real-time monitoring of water quality can help facilitate reuse of industrial process water. Near-infrared spectroscopy is a well-established process monitoring tool within the pharma and food industry. Utilising near-infrared spectroscopy as one of the pieces in the puzzle for optimising water reuse is therefore attractive. Partial least squares regression models were computed on 286 near-infrared spectra of mono salt solutions of KCl, K2SO4, KNO3, CaCl2, CaSO4 and Ca(NO3)2. Concentrations ranging from 0 ppm to 1000 ppm (w/w) in steps of 100 ppm were measured at 10, 25 and 40 °C. Analysis showed that the concentration of salt could be predicted independently from temperature resulting in a root mean squared error of cross validation, RMSECV, of 186 ppm and an R2 of 0.67. A global temperature model and an individual model on K2SO4 at 25 °C cross validated by leave-one-concentration-out resulted in RMSECV values of 181 ppm and 115 ppm and R2 values of 0.68 and 0.87. The limit of detection and limit of quantification for K2SO4 was estimated to be 140 ppm and 400 ppm.","PeriodicalId":20429,"journal":{"name":"Proceedings of the 18th International Conference on Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84398826","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rapid bacteria selection using Aquaphotomics and near infrared spectroscopy","authors":"Z. Kovács, A. Slavchev, G. Bázár, Bernhard Pollner, R. Tsenkova","doi":"10.1255/NIR2017.065","DOIUrl":"https://doi.org/10.1255/NIR2017.065","url":null,"abstract":"Author Summary: Efficient, quick and inexpensive screening methods, which provide rapid, in vivo comprehensive probiotic bacteria evaluation, are highly desired in contemporary microbiology. Aquaphotomics is a novel scientific approach for the exploration of aqueous systems through rapid and comprehensive analysis of water–light interaction as a potential source of information for better understanding of the biological world using spectroscopy. The water spectral pattern of the solution as a molecular fingerprint of the cell culture system can be used for quick determination of biological systems. Our objectives are to use near infrared (NIR) spectroscopy with the Aquaphotomics evaluation technique for in vivo discrimination of resistant and non-resistant Lactobacillus strains, and to predict their low pH and bile resistances using different growth stages and different wavelength ranges. Therefore, NIR spectroscopy with Aquaphotomics was applied to monitor the growth of Lactobacillus bulgaricus, Lactobacillus pentosus and Lactobacillus gasseri bacteria strains. Their growth rate, maximal optical density, low pH and bile tolerances were measured and used as a reference data for the analysis of the simultaneously acquired spectral data. The acquired NIR spectra were subjected to various multivariate data analyses to build different qualitative and quantitative models to classify the bacteria strains with different probiotic strength and to determine their phenotypic characteristics. The results of the in vivo evaluation of probiotic and non-probiotic bacteria strains provided accurate, fast and non-invasive identification of probiotic bacteria strains based on spectral monitoring of their bacterial growth. Results also proved that the prediction of the main phenotypic characteristics of probiotic candidates is also possible with NIR spectroscopy and Aquaphotomics.","PeriodicalId":20429,"journal":{"name":"Proceedings of the 18th International Conference on Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78839186","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative performance of bench and portable near infrared spectrometers for measuring wood samples of two\u0000Eucalyptus species (E. pellita and E. benthamii)","authors":"C. P. Diniz, D. Grattapaglia, L. F. A. Figueiredo","doi":"10.1255/NIR2017.031","DOIUrl":"https://doi.org/10.1255/NIR2017.031","url":null,"abstract":"Author Summary: The well-established and ever-growing applications of near infrared (NIR) spectroscopy for wood science and technology using bench spectrometers is unquestionable. However, the increasing interest in using portable spectrometers due to their perceived advantages raises the question of how good are they? In this work, we acquired spectra from wood sawdust samples of two Eucalyptus species, E. pellita and E. benthamii, totaling 1200 individual trees sampled in experimental breeding populations. Spectra were acquired in parallel using a bench spectrometer (FOSS NIRSystems 5000) and a portable instrument (Viavi MicroNIR1700). Spectra acquisition on the bench spectrometer had a longer wavelength (1100–2500 nm versus 908–1700 nm) and a shorter absorbance profile. Principal component analysis on the spectral data of both instruments was not able to clearly separate the two species suggesting some level of overlapping distributions of the chemical composition of their respective wood properties. Linear discriminant analysis, however, had excellent accuracies with the bench spectrometer (~99 %), showing significantly better discrimination than the one obtained with the portable one (~93 %). Similarly, partial least square discriminant analysis showed correlations (r) around 0.96 and standard errors of calibration (SEC) and of cross validation (SECV) lower than 0.155 on the bench instrument, while the portable spectrometer had r ~ 0.88 with SEC and SECV below 0.235. Although the bench instrument showed a better performance, the parameters estimated with the portable spectrometer were very satisfactory given its intrinsic limitations in robustness and handling needs. Chemical analyses for lignin content are in progress which, combined with data transformation and selection of spectra regions, could put the two instruments on similar performance grounds. These results are particularly relevant for rapid and simple wood phenotyping applications in advanced tree breeding operations.","PeriodicalId":20429,"journal":{"name":"Proceedings of the 18th International Conference on Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78859372","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Characterisation of organic colourants in ukiyo-e prints by Fourier transform near infrared fibre optics reflectance\u0000spectroscopy","authors":"C. Biron, Floréal Daniel, G. Bourdon, R. Chapoulie, L. Servant","doi":"10.1255/NIR2017.015","DOIUrl":"https://doi.org/10.1255/NIR2017.015","url":null,"abstract":"Author Summary: The materials used in Japanese woodblock prints called ukiyo-e, particularly colouring matters, function as indicators on the resources available at a given time and allow us to deepen our knowledge of the cultural purposes and the socio-economic (trading activity, import of new techniques…) impacts of these artworks. The aim of this work is to apply non-invasive near infrared (NIR) spectroscopy which may be helpful for the identification of organic colourings widely employed in ukiyo-e, using fibre optics such as the Fibre Optics Reflectance Spectroscopy (FT-NIR FORS), that has been applied to the cultural heritage field for two decades because of its fast response time in any geometrical configuration. The present work reports results obtained on five organic pigments (indigo, safflower, gamboge, dragon’s blood and cochineal), considered as the first step for the building of a database dedicated to specific Japanese colouring matters in order to interpret future hyperspectral data recorded in the Short Wave InfraRed (SWIR) range on a collection of Japanese ukiyo-e prints. The data were obtained with a FT-NIR spectrometer using a probe to collect the specular reflection within the 11,000–4000 cm–1 range, transformed in pseudo-absorbance with log(1/R) conversion. Because large bands were observed, originating in overtone and combination modes, a pre-processing smoothing and derivative procedure of the data, together with Principal Component Analysis (PCA) were applied to discriminate the pigments, notably dragon’s blood.","PeriodicalId":20429,"journal":{"name":"Proceedings of the 18th International Conference on Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76307457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preface: ICNIRS 2017 proceedings","authors":"S. Engelsen, K. Sørensen, F. Berg","doi":"10.1255/nir2017.001","DOIUrl":"https://doi.org/10.1255/nir2017.001","url":null,"abstract":"","PeriodicalId":20429,"journal":{"name":"Proceedings of the 18th International Conference on Near Infrared Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79706393","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}