An Application of near Infrared and Mid-Infrared Spectroscopy to the Study of Uranyl Selenite Minerals: Derriksite, Demesmaekerite, Guilleminite and Haynesite

2008 ◽  
Vol 16 (5) ◽  
pp. 455-469 ◽  
Author(s):  
Ray L. Frost ◽  
B. Jagannadha Reddy ◽  
Marilla J. Dickfos
Keyword(s):  
Near Infrared ◽  
Nir Spectroscopy ◽  
Uranyl Ion ◽  
Absorption Feature ◽  
Significant Shift ◽  
Bending Vibrations ◽  
Oh Groups ◽  
Ir Studies ◽  
Geologic Materials ◽  
Bending Modes

The near infrared (NIR) spectra of the natural uranyl selenite minerals that include derriksite, demesmaekerite, guilleminite and haynesite are examined as a potential indicator of uranium occurring geologic materials at the earth's surface. NIR analysis, complimented with mid-IR studies, was used to investigate the co-ordination of UO22+ and Cu2+ in the uranyl selenites. Bands obtained from the infrared spectra of selenites are interpreted in terms of the stretching vibrations of uranyl, selenite units and OH groups and bending modes. NIR spectra of the uranyl selenite minerals exhibit distinctive characteristics of uranyl ion (UO2)2+ absorptions over the range of 11,500–8000 cm−1. The high- range NIR spectrum of Cu-bearing uranyl derriksite is resolved into two bands, UO22+ 8070 cm−1 and Cu2+ 7175 cm−1. The effect of lead in demesmaekerite leads to distortion of the spectrum and the NIR bands are observed for uranyl ion at 11,305 cm−1 and 8475 cm−1 and for Cu2+ at 7430 cm−1. The δ U–OH bending vibrations are characterised by a strong absorption feature centred at 1015 cm−1 in haynesite. A significant shift for UOH bending vibrations and the absence of ν1 and ν3 vibrations of UO22+ at the expense of Cu2+ are reflected in the spectrum of derriksite. The complexity of bands with shifts to low wavenumbers could take place due to the additional cations of Pb and Cu in the structure of demesmaekerite. NIR spectroscopy has proven to be a most useful tool for the identification of and distinction between different uranyl selenite minerals.

Quantitative Analysis of Hydrogen Bonding in Poly(4-Vinylphenol) Blends Using near Infrared Spectroscopy

2003 ◽  
Vol 11 (3) ◽  
pp. 183-191 ◽  
Author(s):  
Haijun Cai ◽  
Josée Brisson
Keyword(s):  
Hydrogen Bonding ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Weight Fraction ◽  
Hydroxyl Groups ◽  
Absorption Coefficients ◽  
Oh Groups ◽  
Refinement Method ◽  
Poly Ethylene ◽  
Vinyl Phenol

Quantitative evaluation of hydrogen bonding of poly(4-vinyl phenol)/poly(ethylene oxide) PVPh/PEO blends was conducted using Fourier transform near infrared (FT-NIR) spectroscopy. Absorption coefficients of the free ( aF), intra- (PVPh–PVPh) ( aA) and inter-associated (PVPh–PEO) hydroxyl groups ( aI) were estimated. Two sets of approximations were tested, including adopting a least-squares refinement method to calculate absorption coefficients from all NIR spectra or using a literature value for aF. Each set of absorption coefficients thus estimated were used to determine hydroxyl concentration for the free and hydrogen-bonded hydroxyl overtone bands in the blends. A comparison is made among the resultant concentrations of the free, intra- and inter-associated hydroxyl groups. The concentration of free hydroxyl groups markedly decreases with PEO percentage, and that of intra-associated hydroxyl remains almost constant. Concentration for the inter-associated hydroxyl groups in the blends increases very slowly above 0.2 PEO weight fraction. When concentration of OH groups is reported per PVPh chain, FT-NIR measurements show a broad maximum in the number of interchain hydrogen bonds. This result can be used to explain partially previous orientation behaviour observed for PVPh/PEO blends.

FT-near-IR and FT-IR Studies of Cis-9-Octadecen-1-ol: Molar Absorption Coefficient of a Band Due to the First Overtone of the Stretching Mode of the Terminal OH Group and Comparison of Anharmonicity of an OH Stretching Mode among the Monomeric and Associated Species

1995 ◽  
Vol 49 (11) ◽  
pp. 1661-1668 ◽  
Author(s):  
Yongliang Liu ◽  
Hisashi Maeda ◽  
Yukihiro Ozaki ◽  
Mirosław A. Czarnecki ◽  
Masao Suzuki ◽  
...  
Keyword(s):  
Absorption Coefficient ◽  
Near Infrared ◽  
Molar Absorption Coefficient ◽  
Open Chain ◽  
Oh Groups ◽  
Ir Studies ◽  
Near Ir ◽  
Ft Ir ◽  
Self Association ◽  
Associated Species

Fourier transform near-infrared (FT-near-IR) and FT-IR spectra have been measured for cis-9-octadecen-1-ol in CCl4 solutions at various concentrations and temperatures partly to investigate its self-association and partly to explore its near-IR spectrum. Both spectra have demonstrated the appearances of bands due to free terminal OH groups of the linear dimer (open-chain dimer) and oligomer of the alcohol. They are observed at 3621 and 7070 cm−1 in the IR and near-IR regions, whose frequencies are lower by 16 and 34 cm−1, respectively, than those of the corresponding bands due to a free OH group of the monomer. The spectral changes in both regions suggest that (1) at concentrations below 0.10 M, the alcohol exists mostly as the monomer and dimer, and with increasing temperature the dimer dissociates into the monomer; and (2) as the concentration is increased, it associates to form aggregates (such as tetramer), and with temperature increase the aggregates dissociate into the dimer and monomer. The molar absorption coefficient of the band due to the first overtone of the stretching mode of the terminal OH groups has been determined to be 0.139 dm3 mol−1 cm−1. It is approximately 8% of that of the first overtone of the monomeric OH group (1.63 dm3 mol−1 cm−1). The anharmonicity of an OH stretching mode of the alcohol has been investigated for various OH groups, free, terminal, and hydrogen-bonded, by comparing the frequencies of the bands due to the OH stretching modes with those of the bands due to the corresponding first overtones. The anharmonicity of the stretching mode of the terminal OH groups of the associated species is very similar to that for the free OH group of the monomer.

EXAFS study on the neptunium(V) complexation by various humic acids under neutral pH conditions

2005 ◽  
Vol 93 (1) ◽  
Author(s):  
S. Sachs ◽  
K. Schmeide ◽  
T. Reich ◽  
V. Brendler ◽  
K. H. Heise ◽  
...  
Keyword(s):  
Humic Acid ◽  
Near Infrared ◽  
Structural Parameters ◽  
Cation Exchange Resin ◽  
Nir Spectroscopy ◽  
Oh Groups ◽  
Neutral Ph ◽  
Carboxylate Groups ◽  
Ph Range ◽  
Phenolic Oh Groups

AbstractThe structure of Np(V) humic acid (HA) complexes at pH 7 was studied by extended X-ray absorption fine structure analysis (EXAFS). For the first time, the influence of phenolic OH groups on the complexation of HA and Np(V) in the neutral pH range was investigated using modified HAs with blocked phenolic OH groups and Bio-Rex70, a cation exchange resin having only carboxyl groups as proton exchanging sites.The formation of Np(V) humate complexes was verified by near-infrared (NIR) spectroscopy. Axial Np-O bond distances of 1.84–1.85 Å were determined for the studied Np(V) humate complexes and the Np(V)-Bio-Rex70 sorbate. In the equatorial plane Np(V) is surrounded by about 3 oxygen atoms with bond lengths of 2.48–2.49 Å. The comparison of the structural parameters of the Np(V) humates with those of Np(V)-Bio-Rex70 points to the fact that the interaction between HA and Np(V) in the neutral pH range is dominated by carboxylate groups. However, up to now a contribution of phenolic OH groups to the interaction process cannot be excluded completely. The comparison of the obtained structural data for the Np(V) humates to those of Np(V) carboxylates and Np(V) aquo ions reported in the literature indicates that humic acid carboxylate groups predominantly act as monodentate ligands. A differentiation between equatorial coordinated carboxylate groups and water molecules using EXAFS spectroscopy is impossible.

Near Infrared Spectroscopic Study on the Adsorption of Methanol on Silica Gel

2013 ◽  
Vol 650 ◽  
pp. 150-155
Author(s):  
Alfred A. Christy
Keyword(s):  
Silica Gel ◽  
Infrared Spectra ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Polar Molecules ◽  
Infrared Spectroscopic Study ◽  
Oh Groups ◽  
Glass Vial ◽  
Silanol Groups ◽  
Near Infrared Spectra

The silanol groups on Silica gel surface are sites for adsorption of polar molecules. Alcohols and other polar molecules are easily adsorbed by forming hydrogen bondings with OH groups on silica gel surface. A study on the adsorption of methanol on silica gel was carried out by using NIR spectroscopy in combination with ssecond derivative techniques. Four of the well characterised silica gel samples were used in this study. Each of the silica gel (0.25g) samples with different surface areas and silanol number was pressed into a small disc, placed in a glass vial and the physically adsorbed water molecules from the surface of the silica gel particles were removed by heating the sample to 200 °C under vacuum. The near infrared spectra of the cooled sample was recorded by a Perkin Elmer spectrum one NIR spectrometer equipped with a transflectance accessory and a deuterated triglycine detector at a resolution of 16 cm-1. The glass vial was then opened and a tiny tube filled with methanol was inserted in the glass vial. Then the near infrared spectra of the sample during the adsorption of methanol were recorded at regular time intervals until there is no apparent change in the spectra. The second derivative profiles of the spectra were obtained using the instruments’ software. The mass of the silica gel pellet was determined by an analytical balance and the methanol adsorbed on the surface was calculated. The number of methanol layers on the silica gel surface was calculated using the silica gel particle characteristics of the samples. The results show that the adsorption evolution of methanol progresses on the samples and the surface was covered by a mono layer within the first 60 minutes. Furthermore, it appears that the adsorption of multilayer on methanol starts after all the surface silanol groups are exhausted.

scholarly journals Characterization and mapping of hematite ore mineral classes using hyperspectral remote sensing technique: a case study from Bailadila iron ore mining region

2021 ◽  
Vol 3 (2) ◽  
Author(s):  
Ibrahim Shaik ◽  
S. K. Begum ◽  
P. V. Nagamani ◽  
Narayan Kayet
Keyword(s):  
Infrared Absorption ◽  
Near Infrared ◽  
Spectral Feature ◽  
Absorption Feature ◽  
X Ray ◽  
Remote Sensing Technique ◽  
Ore Minerals ◽  
Feature Fitting ◽  
Hematite Ore

AbstractThe study demonstrates a methodology for mapping various hematite ore classes based on their reflectance and absorption spectra, using Hyperion satellite imagery. Substantial validation is carried out, using the spectral feature fitting technique, with the field spectra measured over the Bailadila hill range in Chhattisgarh State in India. The results of the study showed a good correlation between the concentration of iron oxide with the depth of the near-infrared absorption feature (R2 = 0.843) and the width of the near-infrared absorption feature (R2 = 0.812) through different empirical models, with a root-mean-square error (RMSE) between < 0.317 and < 0.409. The overall accuracy of the study is 88.2% with a Kappa coefficient value of 0.81. Geochemical analysis and X-ray fluorescence (XRF) of field ore samples are performed to ensure different classes of hematite ore minerals. Results showed a high content of Fe > 60 wt% in most of the hematite ore samples, except banded hematite quartzite (BHQ) (< 47 wt%).

Multi-Site Cr3+ Occupation Related Broadband NIR Luminescence in Cr3+-doped Li3Mg2NbO6

CrystEngComm ◽  
2021 ◽  
Author(s):  
Fen Xiao ◽  
Chengning Xie ◽  
Shikun Xie ◽  
Rongxi Yi ◽  
Huiling Yuan ◽  
...  
Keyword(s):  
Near Infrared ◽  
Nir Spectroscopy ◽  
Luminescent Materials ◽  
Optical Source ◽  
Nir Emission ◽  
Nir Luminescence

Broadband near infrared (NIR) luminescent materials have attracted great attention recently for the advance smart optical source of NIR spectroscopy. In this work, a broadband NIR emission from 650 nm...

scholarly journals Histamine Control in Raw and Processed Tuna: A Rapid Tool Based on NIR Spectroscopy

Foods ◽  
2021 ◽  
Vol 10 (4) ◽  
pp. 885
Author(s):  
Sergio Ghidini ◽  
Luca Maria Chiesa ◽  
Sara Panseri ◽  
Maria Olga Varrà ◽  
Adriana Ianieri ◽  
...  
Keyword(s):  
Root Mean Square ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Coefficient Of Determination ◽  
Mean Square ◽  
Tuna Fish ◽  
Mean Square Errors

The present study was designed to investigate whether near infrared (NIR) spectroscopy with minimal sample processing could be a suitable technique to rapidly measure histamine levels in raw and processed tuna fish. Calibration models based on orthogonal partial least square regression (OPLSR) were built to predict histamine in the range 10–1000 mg kg−1 using the 1000–2500 nm NIR spectra of artificially-contaminated fish. The two models were then validated using a new set of naturally contaminated samples in which histamine content was determined by conventional high-performance liquid chromatography (HPLC) analysis. As for calibration results, coefficient of determination (r2) > 0.98, root mean square of estimation (RMSEE) ≤ 5 mg kg−1 and root mean square of cross-validation (RMSECV) ≤ 6 mg kg−1 were achieved. Both models were optimal also in the validation stage, showing r2 values > 0.97, root mean square errors of prediction (RMSEP) ≤ 10 mg kg−1 and relative range error (RER) ≥ 25, with better results showed by the model for processed fish. The promising results achieved suggest NIR spectroscopy as an implemental analytical solution in fish industries and markets to effectively determine histamine amounts.

Near infrared spectroscopy of Eucalyptus pellita for foliar nutrients and the potential for real-time monitoring of trees in fertiliser trial plots

2021 ◽  
pp. 096703352110079
Author(s):  
Agustan Alwi ◽  
Roger Meder ◽  
Yani Japarudin ◽  
Hazandy A Hamid ◽  
Ruzana Sanusi ◽  
...  
Keyword(s):  
Near Infrared ◽  
Acacia Mangium ◽  
Nir Spectroscopy ◽  
Nutrient Status ◽  
Significant Loss ◽  
Eucalyptus Pellita ◽  
Operational Decision Making ◽  
Fertiliser Application ◽  
Planting Distance

Eucalyptus pellita F. Muell. has become an important tree species in the forest plantations of SE Asia, and in Malaysian Borneo in particular, to replace thousands of hectares of Acacia mangium Willd. which has suffered significant loss caused by Ceratocystis manginecans infection in Sabah, Malaysia. Since its first introduction at a commercial scale in 2012, E. pellita has been planted in many areas in the region. The species replacement requires new silvicultural practices to induce the adaptability of E. pellita to grow in the region and this includes relevant research to optimise such regimes as planting distance, pruning, weeding practices and nutrition regimes. In this present study, the nutritional status of the foliage was investigated with the aim to develop near infrared spectroscopic calibrations that can be used to monitor and quantify nutrient status, particularly total foliar nitrogen (N) and phosphorus (P) in the field. Spectra acquired on fresh foliage in situ on the tree could be used to predict N and P with accuracy suitable for operational decision-making regards fertiliser application. If greater accuracy is required, spectra acquired on dry, milled foliage could be used to predict N and P within a relative error of 10% (R2c, r2CV, RMSEP, RPD = 0.77, 0.71, 0.02 g 100/g, 1.9 for foliar P and = 0.90, 0.88, 0.21 g 100/g, 3.0 for foliar N on dry, milled foliage). The ultimate application of this is in situ nutrient monitoring, particularly to aid longitudinal studies in fertiliser trial plots and forest operations, as the non-destructive nature of NIR spectroscopy would enable regular monitoring of individual leaves over time without the need to destructively sample them. This would aid the temporal and spatial analysis of field data.

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