Establishment of a comprehensive indicator to nondestructively analyze watermelon quality at different ripening stages

Two nondestructive methods based on visible and near-infrared (VIS-NIR) spectroscopy and X-ray image have been used for the evaluation of watermelon quality. The prediction performance based on partial least squares (PLS) by diffuse transmittance measurement (500–1010 nm) was evaluated for chemical quality attributes SSC (Rc = 0.903; RMSEC = 0.572% Brix; Rp = 0.862; RMSEP = 0.717% Brix; RPD = 1.83), lycopene (Rc = 0.845; RMSEC = 0.266 mg/100 gFW; Rp = 0.751; RMSEP = 0.439 mg/100 gFW; RPD = 1.13) and moisture (Rc = 0.917; RMSEC = 0.280%; Rp = 0.937; RMSEP = 0.276%; RPD = 2.79). The X-ray calibration linear equations developed by extracting the appropriate gray threshold were sufficiently precise for volume (R2 = 0.986) and weight (R2 = 0.993). In order to optimize prediction model of watermelon quality in growth period, multivariate multi-block technique factor analysis enabled integration of these traits: chemical information is related to physical information. Applying principle component analysis to extract common factors and varimax with Kaiser normalization to improve explanatory, the comprehensive indicator based on variances was established satisfactorily with Rc = 0.94, RMSEC = 0.244, Rp = 0.93, RMSEP = 0.344 and RPD = 2.00. A comparison of these models indicates that the comprehensive indicator determined only by portable VIS-NIR spectrometer appears as a suitable method for appraising watermelon quality nondestructively on the plant at different ripen stages. This method contributes to infer the picking date of watermelon with higher accuracy and bigger economic benefits than that by experience.

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Evaluation of swelling properties and drug release from mechanochemical pre-gelatinized glutinous rice starch matrix tablets by near infrared spectroscopy

Journal of Near Infrared Spectroscopy ◽

10.1177/0967033520982351 ◽

2021 ◽

pp. 096703352098235

Author(s):

Tomomi Takaku ◽

Yusuke Hattori ◽

Tetsuo Sasaki ◽

Tomoaki Sakamoto ◽

Makoto Otsuka

Keyword(s):

Drug Release ◽

Near Infrared ◽

Nir Spectroscopy ◽

Matrix Tablets ◽

Rice Starch ◽

Release Time ◽

Swelling Properties ◽

X Ray ◽

Glutinous Rice ◽

Pharmaceutical Properties

The effect of grinding on the pharmaceutical properties of matrix tablets consisting of ground glutinous rice starch (GRS) and theophylline (TH) was predicted by near infrared (NIR) spectroscopy. Ground GRS samples were prepared by grinding GRS in a planetary ball mill for 0-120 min, measured by X-ray diffractometry (XRD) and NIR, and then evaluated for crystallinity (%XRD) based on XRD profiles. Tablets containing TH (5 w/w%), ground GRS (94 w/w%), and magnesium stearate (1 w/w%) were formed by compression. Gel-forming and drug-release processes of the tablets were measured using a dissolution instrument with X-ray computed tomography (XCT). Swelling ratio (SWE) and mean drug-release time (MDT) were evaluated based on XCT and drug-release profiles, respectively. Calibration models for predicting percent %XRD, MDT, and SWE were constructed based on the NIR of ground GRS using partial least-squares. The results indicated the possibility of controlling the pharmaceutical properties of matrix tablets by altering the pre-gelatinization of GRS based on changes in their NIR spectra during the milling process.

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Industrial Applications of Near-Infrared Chemical Imaging Microscopy

Microscopy and Microanalysis ◽

10.1017/s143192760002688x ◽

2001 ◽

Vol 7 (S2) ◽

pp. 162-163

Author(s):

EN Lewis ◽

LH Kidder ◽

KS Haber

Keyword(s):

Spatial Distribution ◽

Near Infrared ◽

Imaging System ◽

Raw Materials ◽

Single Point ◽

Nir Spectroscopy ◽

Chemical Imaging ◽

Industrial Applications ◽

Chemical Information ◽

Spatially Resolved

Single point near-infrared (NIR) spectroscopy is used extensively for characterizing raw materials and finished products in a wide variety of industries: polymers, paper, film, pharmaceuticals, paintings and coatings, food and beverages, agricultural products. As advanced industrial materials become more complex, their functionality is often determined by the spatial distribution of their discrete sample constituents. However, conventional single point NIR spectroscopy cannot adequately probe the interrelationship between the spatial distribution of sample components with the physical properties of the sample. to fully characterize these samples, it is necessary to probe simultaneously spatial and chemical heterogeneity and correlate these properties with sample characteristics.Recently, we have developed a novel NIR imaging spectrometer that can deliver spatially resolved chemical information very rapidly. in contrast to conventional, single point NIR spectrometers, the imaging system uses an infrared focal-plane array (FPA) to collect up to 76,800 complete spectra, one for each pixel on the array, in approximately one minute.

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Analytical tools to predict changes in properties of oriented strandboard exposed to the fungus Postia placenta

Holzforschung ◽

10.1515/hf.2006.053 ◽

2006 ◽

Vol 60 (3) ◽

pp. 332-338 ◽

Cited By ~ 3

Author(s):

Scott M. Kent ◽

Robert J. Leichti ◽

Jeffrey J. Morrell ◽

David V. Rosowsky ◽

Stephen S. Kelley

Keyword(s):

Weight Loss ◽

Shear Strength ◽

Specific Gravity ◽

Near Infrared ◽

Oriented Strand Board ◽

Nir Spectroscopy ◽

Coefficient Of Determination ◽

Multivariate Statistical ◽

X Ray ◽

Bearing Strength

Abstract Weight loss, specific gravity and strength are traditional measures of how wood changes after fungal exposure. This study investigated the effects of fungal decay on properties of oriented strand board (OSB) made of aspen including weight loss, specific gravity, dowel-bearing strength, shear strength, and alkali solubility. Shear strength and alkali solubility were strongly correlated with specific gravity. In addition, X-ray densitometry and near-infrared (NIR) spectroscopy were used to study the decay process. X-Ray densitometry was used to assess localized density around the dowel-bearing embedment zone of a nail. A statistical model using the specific gravity directly under the nail from dowel-bearing strength tests as the explanatory variable had a higher coefficient of determination than models using the gross specific gravity of the sample. Predictive models using NIR spectro-scopy, in combination with multivariate statistical methods, showed promise as predictors of weight loss, shear strength, dowel-bearing strength, and solubility.

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Revealing the Nature of the Highly Obscured Galactic Source IGR J16318-4848

International Astronomical Union Colloquium ◽

10.1017/s0252921100151930 ◽

2004 ◽

Vol 194 ◽

pp. 65-66

Author(s):

S. Chaty ◽

P. Filliatre

Keyword(s):

Near Infrared ◽

Spectral Energy Distribution ◽

Nir Spectroscopy ◽

High Mass ◽

Spectral Energy ◽

X Ray ◽

Circumstellar Material ◽

New Class ◽

Galactic Source ◽

Early Type Star

AbstractThe X-ray source IGR J16318-4848 was the first source discovered by INTEGRAL on 2003, January 29. We carried out optical and near-infrared (NIR) observations at the European Southern Observatory (ESO La Silla) in the course of a Target of Opportunity (ToO) programme. We discovered the optical counterpart and confirmed an already proposed NIR candidate. NIR spectroscopy revealed a large amount of emission lines, including forbidden iron lines and P-Cygni profiles. The spectral energy distribution of the source points towards a high luminosity and a high temperature, with an absorption greater than the interstellar absorption, but two orders of magnitude lower than the X-ray absorption. We show that the source is an High Mass X-ray binary (HMXB) at a distance between ~ 1 and ~ 6 kpc, the mass donor being an early-type star, probably a sgB[e] star, surrounded by a rich and absorbing circumstellar material. This would make the second High Mass X-ray Binary (HMXB) with a sgB[e] star after CI Cam, indicating that a new class of strongly absorbed X-ray binaries is being unveiled by INTEGRAL.

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Determination of the Polymorphic Forms of Bicifadine Hydrochloride by Differential Scanning Calorimetry—Thermogravimetric Analysis, X-Ray Powder Diffraction, Attenuated Total Reflectance—Infrared Spectroscopy, and Attenuated Total Reflectance—Near-Infrared Spectroscopy

Applied Spectroscopy ◽

10.1366/000370205774783322 ◽

2005 ◽

Vol 59 (11) ◽

pp. 1365-1371 ◽

Cited By ~ 15

Author(s):

Patrick McArdle ◽

Karen Gilligan ◽

Desmond Cunningham ◽

Alan Ryder

Keyword(s):

Infrared Spectroscopy ◽

Powder Diffraction ◽

Density Functional ◽

Near Infrared ◽

Nir Spectroscopy ◽

Attenuated Total Reflectance ◽

Total Reflectance ◽

X Ray ◽

Polymorphic Forms

The pharmaceutical compound bicifadine hydrochloride, which has been found to crystallize in two polymorphic forms, has been characterized by thermal analysis, X-ray powder diffraction (XRPD), infrared (IR) spectroscopy, and near-infrared (NIR) spectroscopy. A series of 22 sample mixtures of polymorph 1 and polymorph 2 were prepared and calibration models for the quantitation of these binary mixtures have been developed for each of the XRPD, attenuated total reflectance (ATR)-IR, and ATR-NIR analytical techniques. The quantitative results were obtained using a partial least squares (PLS) algorithm, which predicted the concentration of polymorph 1 from the XRPD spectra with a root mean standard error of prediction (RMSEP) of 4.4%, from the IR spectra with a RMSEP of 3.8%, and from the NIR spectra with a RMSEP of 1.4%. The studies indicate that when analyses are carried out on equivalent sets of spectra, NIR spectroscopy offers significant advantages in quantitative accuracy as a tool for the determination of polymorphs in the solid state and is also more convenient to use than both the ATR-IR and XRPD methods. Density functional theory (DFT) B3LYP calculations and IR spectral simulation have been used to determine the nature of the vibrational modes that are the most sensitive in the analysis.

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APPLICATION OF NEAR INFRARED SPECTROSCOPY TO THE EXTRACTED WOOD OF A DIVERSE RANGE OF SPECIES

IAWA Journal ◽

10.1163/22941932-90000347 ◽

2003 ◽

Vol 24 (4) ◽

pp. 429-438 ◽

Cited By ~ 13

Author(s):

Laurence Schimleck ◽

Robert Evans ◽

Jugo Ilic

Keyword(s):

Infrared Spectroscopy ◽

Physical Properties ◽

Near Infrared ◽

Microfibril Angle ◽

Nir Spectroscopy ◽

X Ray Diffraction ◽

Wood Chemistry ◽

Diverse Range ◽

X Ray ◽

Longitudinal Modulus

Near infrared (NIR) spectroscopy was applied to fifty-four species (59 samples in total) representing a diverse array of taxonomic affiliations, wood chemistry and physical properties. Acetone and ethanol were used to remove extractives from the wood samples used in this study. The extracted samples were characterized in terms of collapse-free density, microfibril angle and longitudinal modulus of elasticity (estimated using the collapse-free density and X-ray diffraction data obtained from Silvi- Scan-2). NIR spectra were obtained from the radial longitudinal face of each sample and used to generate calibrations for the measured physical properties. Extraction was found to improve the calibration statistics for all properties.

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A Brief Review of near Infrared in Petroleum Product Analysis

Journal of Near Infrared Spectroscopy ◽

10.1255/jnirs.77 ◽

1996 ◽

Vol 4 (1) ◽

pp. 69-74 ◽

Cited By ~ 25

Author(s):

Jerome Workman

Keyword(s):

Functional Groups ◽

Petroleum Product ◽

Octane Number ◽

Near Infrared ◽

Scientific Literature ◽

Multivariate Calibration ◽

Nir Spectroscopy ◽

Hydrocarbon Fuel ◽

Chemical Information ◽

Product Analysis

The use of infrared spectroscopy [including near infrared (NIR) spectroscopy] for the analysis of petroleum product analysis has become an essential component of hydrocarbon processing and refining since the mid-1940s. Early scientific literature identified absorption band positions for a variety of hydrocarbon functional groups from pure compounds to complex mixtures. The short wavelength NIR region (generally designated as 750–1100 nm), and the long-wavelength NIR region (1100–2500 nm) have been explored for their relative chemical information content with respect to hydrocarbon fuel mixtures. The functional groups of methyl, methylene, carbon–carbon, carbon–oxygen (including carbonyl), and aromatic (C–H) are measured directly using NIR spectroscopy. NIR spectroscopy combined with multivariate calibration has resulted in the reported analysis of numerous fuel components. The scientific literature has reported varied success for the measurement of RON (research octane number), MON (motor octane number), PON (pump octane number), cetane, cloud point, MTBE ( tert-Butyl methyl ether), RVP (Reid vapour pressure), ethanol, API, bromine number, lead, sulphur, aromatics, olefins and saturates content in such products as gasoline, diesel fuels, and jet fuels. This review paper summarises the foundational work using near-infrared for hydrocarbon fuels measurement beginning in 1938.

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Investigation of NIR spectroscopy for identifying and sorting wood with respect to species, moisture content, and weathering

10.32920/ryerson.14661045 ◽

2021 ◽

Author(s):

Ekaterina Tounis

Keyword(s):

Infrared Spectroscopy ◽

Moisture Content ◽

Near Infrared Spectroscopy ◽

Near Infrared ◽

Multivariate Calibration ◽

Surface Preparation ◽

Nir Spectroscopy ◽

Species Group ◽

Chemical Information ◽

Calibration Techniques

Near-infrared spectroscopy can characterize wood surfaces fast and without significant surface preparation. It is based on molecular overtone and combination vibrations which are typically very broad, leading to complex spectra. Multivariate calibration techniques are often employed to extract the desired chemical information. This study focused on the potential of near-infrared spectroscopy combined with partial least squares for identifying and sorting wood with respect to species and physical properties and on the effects of wood preparation and weathering on the precision of analysis. It was shown that a range of moisture content values and artificial weathering periods could be well predicted indepenedently of wood species analyzed. Species within the spruce-pine-fir species group could be predicted reasonably well when tested under similar conditions. When different moisture contents and weathering exposure periods were introduced, species prediction was still possible, but, with decreased prediciton ability.

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Near-infrared chemical imaging for quantitative analysis of chlorpheniramine maleate and distribution homogeneity assessment in pharmaceutical formulations

Journal of Innovative Optical Health Sciences ◽

10.1142/s1793545816500024 ◽

2016 ◽

Vol 09 (06) ◽

pp. 1650002 ◽

Cited By ~ 2

Author(s):

Manfei Xu ◽

Luwei Zhou ◽

Qiao Zhang ◽

Zhisheng Wu ◽

Xinyuan Shi ◽

...

Keyword(s):

Near Infrared ◽

Spatial Information ◽

Nir Spectroscopy ◽

Pharmaceutical Formulations ◽

Chemical Imaging ◽

Hyperspectral Data ◽

Data Cube ◽

Chemical Information ◽

Chlorpheniramine Maleate ◽

Homogeneity Assessment

Near infrared chemical imaging (NIR-CI) combines conventional near infrared (NIR) spectroscopy with chemical imaging, thus provides spectral and spatial information simultaneously. It could be utilized to visualize the spatial distribution of the ingredients in a sample. The data acquired using NIR-CI instrument are hyperspectral data cube (hypercube) containing thousands of spectra. Chemometric methodologies are necessary to transform spectral information into chemical information. Partial least squares (PLS) method was performed to extract chemical information of chlorpheniramine maleate in pharmaceutical formulations. A series of samples which consisted of different CPM concentrations (w/w) were compressed and hypercube data were measured. The spectra extracted from the hypercube were used to establish the PLS model of CPM. The results of the model were [Formula: see text] 0.981, RMSEC 0.384%, RMSECV 0.483%, RMSEP 0.631%, indicating that this model was reliable.

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Near-Infrared Spectroscopic Determination of Acetate, Ammonium, Biomass, and Glycerol in an Industrial Escherichia Coli Fermentation

Applied Spectroscopy ◽

10.1366/0003702963906726 ◽

1996 ◽

Vol 50 (1) ◽

pp. 102-108 ◽

Cited By ~ 71

Author(s):

Jeffrey W. Hall ◽

Brian McNeil ◽

Malcolm J. Rollins ◽

Indira Draper ◽

Brad G. Thompson ◽

...

Keyword(s):

Escherichia Coli ◽

Least Squares ◽

Near Infrared ◽

Control Strategies ◽

Nir Spectroscopy ◽

Time Frame ◽

Chemical Information ◽

Bioprocess Monitoring ◽

Prediction Errors ◽

Least Squares Regression

By use of near-infrared (NIR) spectroscopy, simultaneous, multiple-constituent estimation of important bioprocess parameters can be obtained in a time frame (<1 min assay) that was previously unattainable. Therefore, with NIR spectroscopy the opportunity exists to incorporate real-time chemical information into bioprocess monitoring or control strategies which will lead to significant bioprocess improvements. The NIR spectroscopic analysis of unmodified whole broth samples for acetate, ammonium, biomass, and glycerol is described for an industrial Escherichia coli fed-batch fermentation bioprocess. For acetate and glycerol, suitable results were obtained from multiple linear least-squares regression (MLR) analysis. A more sophisticated partial least-squares (PLS) regression analysis was necessary to adequately model ammonium and biomass. The respective prediction errors (1σ) of 0.7 g/L, 1.4 g/L, 0.7 g/L, and 7 mmol/L for acetate, biomass, glycerol, and ammonium compare well with the error of the wet chemical reference methods used to derive the calibration algorithms.

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