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Near Infrared Spectroscopy (near + infrared_spectroscopy)
Selected AbstractsPREDICTION OF TEXTURE IN GREEN ASPARAGUS BY NEAR INFRARED SPECTROSCOPY (NIRS)JOURNAL OF FOOD QUALITY, Issue 4 2002D. PEREZ NIR spectroscopy was used to estimate three textural parameters of green asparagus: maximum cutting force, energy and toughness. An Instron 1140 Texturometer provided reference data. A total of 199 samples from two asparagus varieties (Taxara and UC-157) were used to obtain the calibration models between the reference data and the NIR spectral data. Standard errors of cross validation (SECV) and r2 were (5.73, 0.84) for maximum cutting force, (0.58, 0.66) for toughness, and (0.04, 0.85) for cutting energy. The mathematical models developed as calibration models were tested using independent validation samples (n =20); the resulting standard errors of prediction (SEP) and r2 for the same parameters were (6.73, 0.82), (0.61, 0.57) and (0.04, 0.89), respectively. For toughness, substantially improved r2 (0.85) and SEP (0.36) when four samples exhibiting large residual values were removed. The results indicated that NIRS could accurately predict texture parameters of green asparagus. [source] A new holistic exploratory approach to Systems Biology by Near Infrared Spectroscopy evaluated by chemometrics and data inspectionJOURNAL OF CHEMOMETRICS, Issue 10-11 2007Lars Munck Abstract There is a need for an improved biological and theoretical interpretation of Near Infra-Red Spectral (NIRS) fingerprints from tissues that could contribute with holistic overview to fine-grained detail modelled in Systems Biology. The concept of gene expression in self-organised networks was experimentally tested in a barley endosperm model with molecularly defined and undefined mutants. Surprisingly reproducible gene-specific NIRS fingerprints were observed directly in log1/R MSC pre-treated spectra that could not be accurately represented by destructive mathematical models. A mutant spectrum in an isogenic background represents the physiochemical expression of the gene in the whole network (tissue). The necessary holistic overview that is needed experimentally to introduce Ilya Prigogine's theory on self-organisation in Systems Biology was supplied by defining the spectral phenome. Interval spectral information on genotypes and environment was classified by interval Extended Canonical Variates Analysis (iECVA). Genetic changes in spectra were interpreted by interval Partial Least Squares Regression (iPLSR) correlations to chemical variables. A new pathway regulation was detected. The finely grained ,bottom up' modelling of molecular and chemical data from pathways requires a coarsely grained exploratory ,top down' overview by NIRS to account for the outcome of self-organisation. The amplification of expression from a gene to the phenome (pleiotropy) can now for the first time be quantified as a whole reproducible phenomenological pattern by NIRS and compared to other gene spectra. It explains published findings that transformed respectively mutated genes in genetically modified organisms (GMOs) and cancer patients can be detected unsupervised from tissues by spectroscopy, chemometrics and data inspection. Copyright © 2007 John Wiley & Sons, Ltd. [source] Measurement and prediction of LDPE/CO2 solution viscosityPOLYMER ENGINEERING & SCIENCE, Issue 11 2002Surat Areerat When CO2 is dissolved into a polymer, the viscosity of the polymer is drastically reduced. In this paper, the melt viscosities of low-density polyethylene (LDPE)/supercritical CO2 solutions were measured with a capillary rheometer equipped at a foaming extruder, where CO2 was injected into a middle of its barrel and dissolved into the molten LDPE. The viscosity measurements were performed by varying the content of CO2 in the range of 0 to 5.0 wt% and temperature in the range of 150°C to 175°C, while monitoring the dissolved CO2 concentration on-line by Near Infrared spectroscopy. Pressures in the capillary tube were maintained higher than an equilibrium saturation pressure so as to prevent foaming in the tube and to realize single-phase polymer/CO2 solutions. By measuring the pressure drop and flow rate of polymer running through the tube, the melt viscosities were calculated. The experimental results indicated that the viscosity of LDPE/CO2 solution was reduced to 30% of the neat polymer by dissolving CO2 up to 5.0 wt% at temperature 150°C. A mathematical model was proposed to predict viscosity reduction owing to CO2 dissolution. The model was developed by combining the Cross-Carreau model with Doolittle's equation in terms of the free volume concept. With the Sanchez-Lacombe equation of state and the solubility data measured by a magnetic suspension balance, the free volume fractions of LDPE/CO2 solutions were calculated to accommodate the effects of temperature, pressure and CO2 content. The developed model can successfully predict the viscosity of LDPE/CO2 solutions from PVT data of the neat polymer and CO2 solubility data. [source] Simultaneous measurements of cerebral oxygenation changes during brain activation by near-infrared spectroscopy and functional magnetic resonance imaging in healthy young and elderly subjectsHUMAN BRAIN MAPPING, Issue 1 2002D. Jannet Mehagnoul-Schipper Abstract Near infrared spectroscopy (NIRS) and functional magnetic resonance imaging (fMRI) both allow non-invasive monitoring of cerebral cortical oxygenation responses to various stimuli. To compare these methods in elderly subjects and to determine the effect of age on cortical oxygenation responses, we determined motor-task-related changes in deoxyhemoglobin concentration ([HHb]) over the left motor cortex in six healthy young subjects (age 35 ± 9 years, mean ± SD) and five healthy elderly subjects (age 73 ± 3 years) by NIRS and blood-oxygen-level-dependent (BOLD) fMRI simultaneously. The motor-task consisted of seven cycles of 20-sec periods of contralateral finger-tapping at a rate as fast as possible alternated with 40-sec periods of rest. Time-locked averages over the seven cycles were used for further analysis. Task-related decreases in [HHb] over the motor cortex were measured by NIRS, with maximum changes of ,0.83 ± 0.38 ,mol/L (P < 0.01) for the young and ,0.32 ± 0.17 ,mol/L (P < 0.05) for the elderly subjects. The BOLD-fMRI signal increased over the cortex volume under investigation with NIRS, with maximum changes of 2.11 ± 0.72% (P < 0.01) for the young and 1.75 ± 0.71% (P < 0.01) for the elderly subjects. NIRS and BOLD-fMRI measurements showed good correlation in the young (r = ,0.70, r2 = 0.48, P < 0.001) and elderly subjects (r = ,0.82, r2 = 0.67, P < 0.001). Additionally, NIRS measurements demonstrated age-dependent decreases in task-related cerebral oxygenation responses (P < 0.05), whereas fMRI measurements demonstrated smaller areas of cortical activation in the elderly subjects (P < 0.05). These findings demonstrate that NIRS and fMRI similarly assess cortical oxygenation changes in young subjects and also in elderly subjects. In addition, cortical oxygenation responses to brain activation alter with aging. Hum. Brain Mapping 16:14,23, 2002. © 2002 Wiley-Liss, Inc. [source] Analysis of low content drug tablets by transmission near infrared spectroscopy: Selection of calibration ranges according to multivariate detection and quantitation limits of PLS modelsJOURNAL OF PHARMACEUTICAL SCIENCES, Issue 12 2008Manel Alcalà Abstract The content uniformity of low dose products is a major concern in the development of pharmaceutical formulations. Near infrared spectroscopy may be used to support the design and optimization of potent drug manufacturing processes through the analysis of blends and tablets in a relatively short time. A strategy for the selection of concentration ranges in the development of multivariate calibration is presented, evaluating the detection and quantitation limits of the obtained multivariate models. The strategy has been applied to the determination of an active principle in pharmaceutical tablets of low concentration (0,5%, w/w), using Fourier Transform Near Infrared (FT-NIR) transmission spectroscopy. The quantitation and detection limits decreased as the upper concentration level of the calibration models was reduced. The results obtained show that the selection of concentration ranges is a critical aspect during model design. The selection of wide concentration ranges with high levels is not recommended for the determination of analytes at minor levels (<1%, w/w), even when the concentration of interest is within the range of the model. © 2008 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 97:5318,5327, 2008 [source] Near infrared spectroscopy in the development of solid dosage formsJOURNAL OF PHARMACY AND PHARMACOLOGY: AN INTERNATI ONAL JOURNAL OF PHARMACEUTICAL SCIENCE, Issue 2 2007Eetu Räsänen 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. [source] Near infrared spectroscopy in the evaluation of skeletal muscle diseaseMUSCLE AND NERVE, Issue 5 2002Kevin McCully PhDArticle first published online: 5 APR 200 No abstract is available for this article. [source] In-line near infrared monitoring of esterification of a molten ethylene,vinyl alcohol copolymer in a twin screw extruderPOLYMER ENGINEERING & SCIENCE, Issue 11 2006Claire Barrès Near infrared spectroscopy has developed in the polymer industry as a tool for in-line monitoring of processes, particularly extrusion. However, little work is dedicated to the monitoring of chemical reactions involving polymer melts. In this paper, we examine the suitability of NIR spectroscopy for monitoring the chemical modification (catalyzed esterification) of a molten ethylene,vinyl alcohol copolymer by octanoic acid in a twin screw extruder. Extrusion samples are characterized off-line, for calibration purposes, for the three species of interest (i.e. unreacted acid, OH groups, and ester functions formed on the polymer backbone) by means of two techniques: 1H NMR, allowing all three species to be quantified, and residual (free) acid titration. However, the mass balance of free acid is not straightforward, due to loss of mass by volatilization at the vent. Therefore, 1H NMR analysis and acid titration have to be combined to allow for determination of all concentrations. Multivariate calibration is implemented here to quantify and subsequently predict the analyte concentrations by using the NIR spectroscopic data. Our calibration, based on a partial least squares regression software, provides satisfactory results in terms of correlation between actual and predicted concentrations. This work demonstrates the potential of in-line NIR spectroscopy for monitoring chemical reactions with polymer melts in extrusion. POLYM. ENG. SCI. 46:1613,1624, 2006. © 2006 Society of Plastics Engineers [source] Cerebral tissue oxygenation index and superior vena cava blood flow in the very low birth weight infantACTA PAEDIATRICA, Issue 1 2009M Moran Abstract Background: Superior vena cava (SVC) flow assesses blood flow from the upper body, including the brain. Near infrared spectroscopy (NIRS) provides information on brain perfusion and oxygenation. Aim: To assess the relationship between cerebral tissue oxygenation index (cTOI) and cardiac output measures in the very low birth weight (VLBW) infant in the first day of life. Methods: A prospective observational cohort study. Neonates with birth weight less than 1500 g (VLBW) were eligible for enrollment. Newborns with congenital heart disease, major congenital malformations and greater than Papile grade1 Intraventricular Haemorrhage on day 1 of life were excluded. Echocardiographic evaluation of SVC flow was performed in the first 24 h of life. Low SVC flow states were defined as a flow less than 40 mL/kg/min. cTOI was measured using NIRO 200 Hamamatsu. Results: Twenty-seven VLBW neonates had both echocardiography and NIRS performed. The median (range) gestation was 29/40 (25 + 3 to 31 + 5 weeks) and median birth weight was 1.2 kg (0.57,1.48 kg). The mean (SD) TOI was 68.1 (7.9)%. The mean (SD) SVC flow was 70.36(39.5) mLs/kg/min. The correlation coefficient of cerebral tissue oxygenation and SVC flow was r = 0.53, p-value 0.005. There was a poor correlation between right and left ventricular output and cTOI which is not surprising considering the influence of intra- and extracardiac shunts. Conclusion: There is a positive relationship between cerebral TOI values and SVC flow in the very low birth infant on day one of life. [source] In-line measurement of a drug substance via near infrared spectroscopy to ensure a robust crystallization processJOURNAL OF PHARMACEUTICAL SCIENCES, Issue 11 2006George X. Zhou Abstract The crystallization of Etoricoxib, a polymorphic compound, has been optimized and controlled by seeding with the desired polymorph at a moderate supersaturation condition. To enhance the process robustness, near infrared spectroscopy (NIRS) has been evaluated as an inline measurement method for the concentration of Etoricoxib prior to seeding in the crystallization process. In this NIRS method, a spectral discriminant analysis based on principal component analysis (PCA) was established to detect the presence of solids produced by premature crystallization, or bubbles in the path of light. Once a spectrum was qualified as that of clear solution, concentration of Etoricoxib was calculated by a NIRS calibration model built with partial least squares (PLS) regression and with offline HPLC analysis as the reference method. This model was accurate with a standard error of cross validation (SECV) less than 1.2 mg/g Etoricoxib and a standard error of prediction (SEP) less than 1.7 mg/g over the concentration range from 50 to 170 mg/g, temperature range from 49 to 65°C, and different sources of materials. In addition, all aspects of the offline HPLC method, especially the sampling procedure, were optimized to provide an accurate reference for NIRS calibration models. The application of this method at a pilot plant has demonstrated its capability of accurately measuring the process concentration of Etoricoxib as well as detecting the presence of solids produced by premature crystallization before seeding. © 2006 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 95:2337,2347, 2006 [source] Rapid techniques for assessing fibre quality of flax breeding lines and cultivars using visible and near infrared spectroscopy, and thermal analysisANNALS OF APPLIED BIOLOGY, Issue 2 2006Z. Jankauskien Abstract Fifteen different flax cultivars and breeding lines (E-68, Baltu,iai, Belinka, Vega 2, Ilona, Elise, Kasty,iai, Evelin, 1963-3, Ariane, Hermes, 01057-12, 1698-13a, 2017-3, 1864-24) were cultivated, harvested, water-retted, scutched and resulting fibres passed through pin frames to produce representative samples for each variety. The aim of this investigation was to develop rapid techniques for assessing quality of fibre obtained from a comparative agronomical trial. The fibres produced were then assessed using visible and near infrared spectroscopy (Vis,NIRS), thermal analysis, scanning electron microscopy and airflow method for measuring fibre fineness. The relationships between agronomical characteristics, fibre fineness, thermal and spectral results were assessed using principal component analysis and partial least squares regression methods. The micrographs of the samples revealed the presence of residual pectic and cuticular tissues on all fibres, and significant differences between the 15 fibre samples were not observed. A significant relationship of the differences in fibre fineness of the test samples as measured by airflow method and Vis,NIR spectra was observed with an R2 of 0.97 and standard error of calibration (SEC) of 1.69 dtex, and the former parameter also correlated with the measured thermal combustion parameters showing an R2 of 0.91 and SEC of 2.86 dtex, indicating that the two rapid techniques could be used for the assessment of fibre quality of selected plants from the breeding programme. The advantages of using the two instrumental techniques compared with the existing airflow method are briefly discussed. [source] Photospheric and chromospheric activity on EY Dra,ASTRONOMISCHE NACHRICHTEN, Issue 9 2007H. Korhonen Abstract Magnetic activity in the photosphere and chromosphere of the M dwarf EY Dra is studied and possible correlations between the two are investigated using photometric observations in the V and R bands and optical and near infrared spectroscopy. The longitudinal spot configuration in the photosphere is obtained from the V band photometry, and the chromospheric structures are investigated using variations in the H, line profile and observations of the Paschen , line. The shape of the V band light-curve indicates two active regions on the stellar surface, about 0.4 in phase apart. The spectroscopic observations show enhanced H, emission observed close to the phases of the photometrically detected starspots. This could indicate chromospheric plages associated with the photospheric starspots. Some indications of prominence structures are also seen. The chromospheric pressure is limited to log mTR < ,4 based on the non-detection of emission in the Paschen , wavelength region. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] | ||||||||||||||||