Potential Of Diffuse Reflectance Spectroscopy Research Articles

Quantification of non-structural carbohydrates in different tissues of trees with diffuse reflectance spectroscopy: Is there a benefit from a fusion of near- and mid-infrared data?

Understanding the role of non-structural carbohydrates (NSC) in tree-level carbon cycling crucially depends on the availability of NSC data in a sufficient temporal resolution covering extreme conditions and seasonal peaks or declines. Chemical analytical methods should therefore get complemented by less extensive retrieval methods. To this end, we explored the potential of diffuse reflectance spectroscopy for estimating NSC contents at a set of 180 samples taken from leaves, roots, stems and branches of different tree species in different biogeographic regions. Multiple randomized partitioning in calibration and validation data were performed with near-infrared (NIR) and mid-infrared (MIR) as well as combined data. With derivative spectra, NIR markedly outperformed MIR data for NSC estimation; mean RMSE for outer validation samples equalled 2.58 (in % of dry matter) compared to 2.90, r2 was 0.64 compared to 0.52. We found complementary information related to NSC in both spectral domains, so that a combination with high-level data fusion (model averaging) increased accuracy (RMSE decreased to 2.19, r2 equalled 0.72). Spectral variable selection with the CARS algorithm further improved results slightly (RMSE = 1.97, r2 = 0.78). On the level of tissue types, we found a marked differentiation concerning the appropriateness of datasets and approaches. High-level data fusion was successful for leaves, NIR data (together with CARS) provided the best results for wooden tissues. This suggests further studies with a greater number of samples per tissue type but only for selected (main) tree species to finally judge the sensitivities of diffuse reflectance spectroscopy (NIR, MIR) for NSC retrieval.

Evaluating differences in optical properties of indolent and aggressive murine breast tumors using quantitative diffuse reflectance spectroscopy.

We used diffuse reflectance spectroscopy to quantify tissue absorption and scattering-based parameters in similarly sized tumors derived from a panel of four isogenic murine breast cancer cell lines (4T1, 4T07, 168FARN, 67NR) that are each capable of accomplishing different steps of the invasion-metastasis cascade. We found lower tissue scattering, increased hemoglobin concentration, and lower vascular oxygenation in indolent 67NR tumors incapable of metastasis compared with aggressive 4T1 tumors capable of metastasis. Supervised learning statistical approaches were able to accurately differentiate between tumor groups and classify tumors according to their ability to accomplish each step of the invasion-metastasis cascade. We investigated whether the inhibition of metastasis-promoting genes in the highly metastatic 4T1 tumors resulted in measurable optical changes that made these tumors similar to the indolent 67NR tumors. These results demonstrate the potential of diffuse reflectance spectroscopy to noninvasively evaluate tumor biology and discriminate between indolent and aggressive tumors.

Biochar as Soil Amendment: The Effect of Biochar on Soil Properties Using VIS-NIR Diffuse Reflectance Spectroscopy, Biochar Aging and Soil Microbiology—A Review

This literature review explores the assessment of biochar quality and its impact on soil properties using diffuse reflectance spectroscopy. Biochar, a product of biomass pyrolysis, is recognized for its positive effects on soil fertility and carbon sequestration. This review emphasizes the need for systematic research on biochar stability and highlights the potential of diffuse reflectance spectroscopy for analyzing soil–biochar interactions. Biochar acts as a soil conditioner, improving physical, chemical, and biological properties and enhancing soil fertility and crop yield. Furthermore, it aids in mitigating climate change by sequestering carbon dioxide. However, the long-term behavior of biochar and its interactions with various factors require further field research for optimal utilization, as the aging process of biochar in soil is complex, involving physical, chemical, and biological interactions that influence its impact on the agroecosystem. This review also emphasizes the importance of studying the interaction between biochar and soil microbes, as it plays a crucial role in enhancing soil fertility and plant resistance to pathogens. However, research on this interaction is limited. VIS-NIR spectroscopy is a valuable tool for monitoring biochar application to soil. Nevertheless, controversial results highlight the intricate interactions between biochar, soil, and environmental conditions.

Mid-Infrared Spectrum Analysis for Mapping Attributes of Cohesive Soils in Brazil

ABSTRACT Diffuse reflectance spectroscopy is a promising technique for advances in soil studies. Thus, the objective of this work was to evaluate the efficiency of diffuse reflectance spectroscopy in the mid-infrared range to estimate the sand, silt, clay, pH, H+ Al, sum of bases, organic matter contents, phosphorus, and remaining phosphorus of Argissolo Amarelo distrocoeso típico (Typic Hapludult) in the state of Maranhão, Brazil. Two areas with different characteristics were selected for sampling: Area 1 and Area 2. A square sampling grid with 121 points was used for each area. Samples were collected from the 0.0–0.2 m soil layer. The spectra were recorded in the mid-infrared range (2500–25000 nm; 4000–400 cm−1) at 8 cm−1 resolution. The data of Area 1 were used for chemometric model calibrations by Partial Least Squares Regression analysis. The data of Area 2 were used for the geostatistical modeling. All attributes presented, in general, positive calibration parameters, with adjusted coefficient of determination (R2 adj) for sand (0.76), silt (0.51), clay (0.77), pH (0.51), H+ Al (0.45), sum of bases (0.75), organic matter contents (0.71) and remaining phosphorus (0.6), and residual prediction deviation equal to or higher than 1.4, except for phosphorus. The lowest prediction errors were found for sand (17%) and silt (19%) contents, pH (15%), and remaining phosphorus (8%). The distribution of spatial attributes – measured and predicted – presented positive correlation, confirming the potential of diffuse reflectance spectroscopy as an alternative for prediction of soil attributes.

Diffuse reflectance spectroscopy to quantify the met-myoglobin proportion and meat oxygenation inside of pork and beef

The potential of diffuse reflectance spectroscopy (DRS) to quantify the met-myoglobin (met-Mb) proportion and meat oxygenation inside of pork and beef was examined. First, reflection spectra were obtained from pork (n = 52) and beef (n = 43) samples under fresh and stored conditions. Second, the DRS algorithm was applied to the reflectance spectra to calculate the met-Mb proportion and oxygenation of the meat. Lastly, a regression model was developed showing the change in the met-Mb proportion and oxygenation during met-Mb formation and degradation. A linear relationship existed between the DRS-based computed data and the known met-Mb proportion with a high correlation (R2 = 0.9999) and a low error (0.86%). Measurement of the meat samples revealed a linear increment of the met-Mb proportion (R2 = 0.77) and a quadratic change in the oxygenation (R2 = 0.44) during the met-Mb formation process. This study demonstrated the ability of DRS to quantitatively analyze the relative content of myoglobin derivatives in both pork and beef.

Assessment of Microcirculatory Hemoglobin Levels in Normal and Diabetic Subjects using Diffuse Reflectance Spectroscopy in the Visible Region — a Pilot Study

Light-based diagnostic techniques provide a minimally invasive way for selective biomarker estimation when tissues transform from a normal to a malignant state. Spectroscopic techniques based on diffuse reflectance characterize the changes in tissue hemoglobin/oxygenation levels during the tissue transformation process. Recent clinical investigations have shown that changes in tissue oxygenation and microcirculation are observed in diabetic subjects in the initial and progressive stages. In this pilot study, we discuss the potential of diffuse reflectance spectroscopy (DRS) in the visible (Vis) range to differentiate the skin microcirculatory hemoglobin levels between normal and advanced diabetic subjects with and without neuropathy. Average concentration of hemoglobin as well as hemoglobin oxygen saturation within the probed tissue volume is estimated for a total of four different sites in the foot sole. The results indicate a statistically significant decrease in average total hemoglobin and increase in hemoglobin oxygen saturation levels for diabetic foot compared with a normal foot. The present study demonstrates the ability of reflectance spectroscopy in the Vis range to determine and differentiate the changes in tissue hemoglobin and hemoglobin oxygen saturation levels in normal and diabetic subjects.

Effects of soil sample pretreatments and standardised rewetting as interacted with sand classes on Vis-NIR predictions of clay and soil organic carbon

Numerous studies have examined the soil analytical potential of diffuse reflectance spectroscopy in the near infrared range, alone or combined with the visible range (Vis-NIR). Soil organic matter (SOM), soil organic carbon (SOC) and clay content are the most commonly and successfully predicted parameters, but predictions are quite variable due e.g. to the range of soil types covered by the calibrations. Especially organic matter predictions are also suggested to be influenced by for example soil moisture content and inclusion of the visible range in the calibration. Excess quartz sand is also suggested to have a negative influence. This study was undertaken to examine the effect of a selection of standardised sample pretreatment procedures, including rewetting, on predictions of clay and SOC content. A subset of 400 samples was selected from a dataset of 3000 Swedish agricultural soils to cover clay and organic matter contents without co-variation. The selected samples were analysed by NIR and Vis-NIR on air dry samples, either carefully mixed to avoid stratification of particle size classes or shaken to promote separation, resulting in predominantly larger particles being analysed. Unshaken samples were also analysed immediately after standardised additional drying at 35 °C for 12 h and stepwise volumetric rewetting up to 30%. Shaking and additional drying had small negative effects on clay predictions, while drying only had small positive effects on SOC predictions. Volumetric rewetting to 20 or 30% before scanning reduced clay prediction errors by up to 15%, RMSEP reduced from 5.4% clay to 4.5% clay, and SOC prediction errors by up to 30%, from 0.9% SOC to 0.6% SOC, indicating that standardised rewetting should be considered. The mechanisms concerned could not be specifically identified, but known bands for water, hydroxyl and clay mineral-dependent absorption near 1400, 1900 and 2200 nm were involved in the improved clay calibrations and bands near 1700, 2000, 2300 and 2350 nm in the improved SOC calibrations. The SOC predictions were most inaccurate for soils with a high sand content. For these samples the average prediction error was more than twice as high as those for less sandy samples. Rewetting eliminated this bias, largely explaining the positive effects of rewetting.

Visible, near infrared, mid infrared or combined diffuse reflectance spectroscopy for simultaneous assessment of various soil properties

Historically, our understanding of the soil and assessment of its quality and function has been gained through routine soil chemical and physical laboratory analysis. There is a global thrust towards the development of more time- and cost-efficient methodologies for soil analysis as there is a great demand for larger amounts of good quality, inexpensive soil data to be used in environmental monitoring, modelling and precision agriculture. Diffuse reflectance spectroscopy provides a good alternative that may be used to enhance or replace conventional methods of soil analysis, as it overcomes some of their limitations. Spectroscopy is rapid, timely, less expensive, non-destructive, straightforward and sometimes more accurate than conventional analysis. Furthermore, a single spectrum allows for simultaneous characterisation of various soil properties and the techniques are adaptable for ‘on-the-go’ field use. The aims of this paper are threefold: (i) determine the value of qualitative analysis in the visible (VIS) (400–700 nm), near infrared (NIR) (700–2500 nm) and mid infrared (MIR) (2500–25,000 nm); (ii) compare the simultaneous predictions of a number of different soil properties in each of these regions and the combined VIS–NIR–MIR to determine whether the combined information produces better predictions of soil properties than each of the individual regions; and (iii) deduce which of these regions may be best suited for simultaneous analysis of various soil properties. In this instance we implemented partial least-squares regression (PLSR) to construct calibration models, which were independently validated for the prediction of various soil properties from the soil spectra. The soil properties examined were soil pH Ca, pH w, lime requirement (LR), organic carbon (OC), clay, silt, sand, cation exchange capacity (CEC), exchangeable calcium (Ca), exchangeable aluminium (Al), nitrate–nitrogen (NO 3–N), available phosphorus (P Col), exchangeable potassium (K) and electrical conductivity (EC). Our results demonstrated the value of qualitative soil interpretations using the loading weight vectors from the PLSR decomposition. The MIR was more suitable than the VIS or NIR for this type of analysis due to the higher incidence spectral bands in this region as well as the higher intensity and specificity of the signal. Quantitatively, the accuracy of PLSR predictions in each of the VIS, NIR, MIR and VIS–NIR–MIR spectral regions varied considerably amongst properties. However, more accurate predictions were obtained using the MIR for pH, LR, OC, CEC, clay, silt and sand contents, P and EC. The NIR produced more accurate predictions for exchangeable Al and K than any of the ranges. There were only minor improvements in predictions of clay, silt and sand content using the combined VIS–NIR–MIR range. This work demonstrates the potential of diffuse reflectance spectroscopy using the VIS, NIR and MIR for more efficient soil analysis and the acquisition of soil information.

The potential of diffuse reflectance spectroscopy for the determination of carbon inventories in soils

Investigations have shown that near- and mid-infrared reflectance spectroscopy can accurately determine organic-C in soil. Efforts have also demonstrated that both can differentiate between organic and inorganic-C in soils, but the mid-infrared produces more accurate calibrations. Nevertheless, the greatest benefit would come with in situ determinations where factors such as particle size, sample heterogeneity and moisture can be important. While the variations in large (>20 mesh) particle size can adversely effect calibration accuracy, efforts have demonstrated that the scanning of larger amounts of sample can overcome this, but the effects of moisture have not been fully explored. While under in situ conditions C distribution and sample heterogeneity are a problem for any analytical method, the rapid analysis possible with spectroscopic techniques will allow many more samples to be analyzed. In conclusion, near- and mid-infrared spectroscopy have great potential for providing the C values needed for C sequestration studies.

The role of Al in the formation of secondary Ni precipitates on pyrophyllite, gibbsite, talc, and amorphous silica: a DRS study

Formation of secondary Ni precipitates is an important mechanism of Ni retention in neutral and alkaline clay/water systems. However, the structure and composition of these secondary phases, and their stability is still disputable. Using existing structure refinement data and new ab-initio FEFF 7 calculations we show that Ni-edge X-ray absorption fine structure spectroscopy alone may not be able to unequivocally discriminate four possible candidate compounds: α-Ni(OH)2, the isostructural but Al-substituted layered double hydroxide (Ni-Al LDH), and 1:1 and 2:1 Ni-containing phyllosilicates. Hence, we investigated the potential of diffuse reflectance spectroscopy (DRS) in determining in situ the Ni phase forming in the presence of four sorbents, pyrophyllite, talc, gibbsite, and amorphous silica. The 3A2g → 3T1g(F) band (ν2) of octahedrally coordinated Ni2+ could be reliably extracted from the reflectance spectra of wet pastes. In the presence of the Al-free talc and amorphous silica, the ν2 band was at ≈14,900 cm−1, but shifted to 15,300 cm−1 in the presence of Al-containing pyrophyllite and gibbsite. This shift suggests that Al is dissolved from the sorbent and substitutes for Ni in brucite-like hydroxide layers of the newly forming precipitate phase, causing a decrease of the Ni-O distances and, in turn, an increase of the crystal-field splitting energy. Comparison with Ni model compounds showed that the band at 14,900 cm−1 is a unique fingerprint of α-Ni(OH)2, and the band at 15,300 cm−1 of Ni-Al LDH. Although the complete transformation of α-Ni(OH)2 into a Ni phyllosilicate causes a significant contraction of the Ni hydroxide sheet as indicated by band positions intermediate to those of α-Ni(OH)2 and Ni-Al LDH, incipient states of silication do not influence Ni-O distances and cannot be detected by DRS. The first evidence for the formation of a precipitate was obtained after 5 min (pyrophyllite), 7 hr (talc), 24 hr (gibbsite), and 3 days (amorphous silica). For both pyrophyllite and talc, where sufficiently long time series were available, the ν2 energy slightly increased as long as the Ni uptake from solution continued (3 days for pyrophyllite, 30 days for talc). This may be explained by a relative decrease of relaxed surface sites due to the growth of crystallites. Our study shows that the formation of both α-Ni(OH)2 and Ni-Al LDH may effectively decrease aqueous Ni concentrations in soils and sediments. However, Ni-Al LDH seems to be thermodynamically favored when Al is available.

Spectroscopic measurement of diffuse reflectance for enhanced detection of bladder carcinoma

Objectives. To assess the diagnostic potential of diffuse reflectance spectroscopy for the detection of bladder carcinoma during cystoscopy. Our hypothesis is that neovasculature in neoplastic (dysplastic and malignant) regions will lead to a blood absorption “signature” that is different from that of normal tissue. Methods. Diffuse reflectance measurements have been performed in 14 patients undergoing mucosal biopsies or transurethral resection of a bladder tumor. A quartz optical fiber was advanced through the working channel of a cystoscope and placed in gentle contact with the bladder surface. A standard cystoscopy xenon light source was used for illumination and the reflectance spectra were recorded using an optical multichannel analyzer (OMA) system. From the spectra, the relative concentrations of hemoglobin (Hb), oxyhemoglobin (HbO 2), oxygen saturation (HbO 2%), and the total amount of blood (arbitrary units) were calculated to assess their usefulness in differentiating between neoplastic and benign bladder areas. Results. The spectra of 26 bladder areas (9 malignant areas including 4 carcinomata in situ, 2 dysplastic lesions, and 15 benign areas) have been analyzed. Only the total amount of blood was a useful parameter for the differentiation between neoplastic and benign bladder areas. The sensitivity, specificity, and positive and negative predictive values of this method for neoplastic tissue were found to be 91%, 60%, 63%, and 90%, respectively. Conclusions. The measurement of diffuse reflectance is a fast, simple, and noninvasive method which allows in vivo determination of bladder blood perfusion. The total blood concentration was increased in neoplastic bladder tissue, making it a tool for tissue diagnosis. The relatively low specificity is a result of inflammatory areas also exhibiting an increased total blood concentration. This pilot study encourages further studies to assess the usefulness of reflectance measurements for enhanced detection of bladder cancer.

Characterization of Polynuclear Ni Species at the Surface of Phyllosilicates, Gibbsite and Amorphous Silica Using Diffuse Reflectance Spectroscopy

Formation of a polynuclear Ni phase at the surface of phyllosilicates has been previously observed by EXAFS (Scheidegger et al., 1997). The exact nature of these precipitates is still in discussion (e.g. Charlet and Manceau, 1994), mainly because the second shell cations Si and A1 may not be unequivocally discriminated, and because differences between the Ni-O distances of several possible structures are close to the sensitivity limit of EXAFS (O'Day et al., 1994). Thus, we investigated the potential of diffuse reflectance spectroscopy (DRS) in the UV-vis-NIR range to further elucidate the structure of these precipitates. DRS should be more sensitive to small changes in bond distances than EXAFS (Marco de Lucas et al., 1995).