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Application of chemometric methods to resolve intermediates formed during photo- catalytic degradation of methyl orange and textile wastewater from Ethiopia
摘要： The efficiency of two catalysts (TiO2 and TiO2 supported on zeolite) for the photocatalytic degradation of methyl orange dye and wastewaters from Ethiopian textile industry was evaluated by chemometric methods from UV/Vis data of the reaction mixtures at different times. Multivariate curve resolution statistical analysis combined with an alternating least squares algorithm (MCR-ALS) proved to be an efficient method to resolve the different intermediates present during the photocatalytic degradation of the pollutants and to provide information about their evolution with time. Methyl orange photodegradation at pH = 3 showed different intermediate and concentration profiles than at pH = 6. The evolution of intermediates from textile wastewater photodegradation could also be resolved by this method. From the concentration profile or the reactants, a kinetic study was done. Results revealed that all the photodegradation reactions followed a first order kinetics. When TiO2 supported in Zeolite is used, reactions are in general slower, probably due to a mechanism of adsorption/desorption.
关键词： Wastewater,Chemometrics,Dye photodegradation,Methyl Orange,MCR-ALS
更新于2025-09-23 15:23:52
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[IEEE IGARSS 2018 - 2018 IEEE International Geoscience and Remote Sensing Symposium - Valencia (2018.7.22-2018.7.27)] IGARSS 2018 - 2018 IEEE International Geoscience and Remote Sensing Symposium - Gaussian Decomposition of LiDAR Waveform Data Simulated by Dart
摘要： Light Detection And Ranging (LiDAR) techniques have been extensively applied in spaceborne, airborne and ground-based platforms. Understanding LiDAR data requires modeling approaches that can precisely account for the physical interactions between the emitted laser pulse and reflecting targets. Diverse LiDAR data types arise from different systems, platforms, and applications. However, most existing physical models consider only single pulse configurations to simulate large footprint LiDAR waveforms, which do not correspond to standard data formats. Hence, in many cases, model outputs are not well adapted to research conducted with actual LiDAR systems, especially for Aerial and Terrestrial Laser Scanning (ALS and TLS) systems. The Discrete Anisotropic Radiation Transfer (DART) model provides accurate and efficient simulations of multiple LiDAR pulses from all platform types. This paper presents the latest development of the DART LiDAR module: Gaussian decomposition of the simulated ALS and TLS waveforms followed by the provision of LiDAR point cloud and waveforms in text and standard ASPRS LAS formats.
关键词： point cloud,DART,waveform,LiDAR,ALS,Gaussian decomposition,TLS
更新于2025-09-23 15:23:52
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Chemometrics-assisted determination of Sudan dyes using zinc oxide nanoparticle-based electrochemical sensor
摘要： Multivariate curve resolution-alternating least squares (MCR-ALS) assisted with electrochemical techniques was applied for simultaneous determination of Sudan II and III at a surface of zinc oxide nanoparticles (ZnONPs) modified carbon paste electrode. Characterization of the ZnONPs and the nanostructured modified electrode was performed by X-ray diffraction (XRD), scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV) techniques. Response surface methodology using central composite rotatable design was employed to design of experiments and achieving to optimum values of variables. For simultaneous determination of Sudan II and III, electrochemical second order data were obtained by changing of pulse height in differential pulse voltammetry technique. MCR-ALS was performed on the data to obtain the decomposition peaks of analytes. Then, the detection limits were obtained 1.87 and 2.62 nM for Sudan II and III, respectively. Finally, this method used for the analysis of the two analytes in real samples.
关键词： ZnO nanoparticles,Differential pulse voltammetry,MCR-ALS,Sudan dyes,Second order data,Response surface methodology
更新于2025-09-23 15:22:29
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Detection of Alkali-Labile Sites on Satellite DNA by DNA Breakage Coupled with Fluorescence in Situ Hybridization (DNA-FISH) Monitor DNA Damage in Cervical Epithelial Cells
摘要： Satellite DNA is the main component of functional centromeres and forms the main structural constituent of heterochromatin. The presence of alkali-labile sites (ALSs) is a feature inherent to chromatin structure. Here we aimed to characterize ALSs in different satellite DNA loci in cervical epithelial cells using DNA breakage detection coupled with fluorescence in situ hybridization (DBD–FISH). Cervical epithelial cells embedded in an agarose matrix were deproteinized and exposed to alkaline denaturation, which generated single-stranded DNA (ssDNA) starting from the ends of spontaneous basal DNA breaks and ALSs. The amount of ssDNA produced within a specific sequence area could be detected by DBD–FISH using specific probes. The DBD–FISH signals, which were corrected for respective FISH signals during metaphase, were remarkably stronger in the 5 bp classical satellite DNA domains analyzed (D1Z1, D9Z3, and D16Z3) compared with alphoid satellite regions (D3Z1, D8Z2, and DXZ1). D1Z1 locus of chromome-1 being the most affected by alkali denaturation, and contrary, D3Z1 locus of chromosome–3 was the least sensitive to alkali treatment. These findings suggest a high density of constitutive ALSs—probably abasic sites—within the 5 bp satellite DNA sequences in cervical epithelial cells. The presence and relative abundance of ALSs might help explain the high frequency of spontaneous breakage and rearrangements in the pericentromeric heterochromatin of chromosomes 1, 9, and 16 when this chromatin region is undercondensed spontaneously or via induction, such as following viral infections. ALSs in these sequences could be useful tools to monitor DNA damage in cases of cervical carcinogenesis. ALSs on these sequences could be useful tools to monitor DNA damage in cases of cervical carcinogenesis.
关键词： DBD–FISH,cervical epithelium,Alkali-labile sites,DNA breakage detection,ALS
更新于2025-09-23 15:21:01
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Classifications of Forest Change by Using Bitemporal Airborne Laser Scanner Data
摘要： Changes in forest areas have great impact on a range of ecosystem functions, and monitoring forest change across di?erent spatial and temporal resolutions is a central task in forestry. At the spatial scales of municipalities, forest properties and stands, local inventories are carried out periodically to inform forest management, in which airborne laser scanner (ALS) data are often used to estimate forest attributes. As local forest inventories are repeated, the availability of bitemporal ?eld and ALS data is increasing. The aim of this study was to assess the utility of bitemporal ALS data for classi?cation of dominant height change, aboveground biomass change, forest disturbances, and forestry activities. We used data obtained from 558 ?eld plots and four repeated ALS-based forest inventories in southeastern Norway, with temporal resolutions ranging from 11 to 15 years. We applied the k-nearest neighbor method for classi?cation of: (i) increasing versus decreasing dominant height, (ii) increasing versus decreasing aboveground biomass, (iii) undisturbed versus disturbed forest, and (iv) forestry activities, namely untouched, partial harvest, and clearcut. Leave-one-out cross-validation revealed overall accuracies of 96%, 95%, 89%, and 88% across districts for the four change classi?cations, respectively. Thus, our results demonstrate that various changes in forest structure can be classi?ed with high accuracy at plot level using data from repeated ALS-based forest inventories.
关键词： classi?cation,dominant height,forest change,ALS,forestry activity,aboveground biomass,disturbance,forest
更新于2025-09-23 15:19:57
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Portable and benchtop Raman spectrometers coupled to cluster analysis to identify quinine sulfate polymorphs in solid dosage forms and antimalarial drug quantification in solution by AuNPs-SERS with MCR-ALS
摘要： This paper proposes for the first time: (a) a qualitative analytical method based on portable and benchtop backscattering Raman spectrometers coupled to hierarchical cluster analysis (HCA) and multivariate curve resolution – alternating least-squares (MCR-ALS) to identify two polymorphs of antimalarial quinine sulfate in commercial pharmaceutical tablets in their intact forms and (b) a quantitative analytical method based on gold nanoparticles (AuNPs) as active substrates for surface-enhanced Raman scattering (SERS) in combination with MCR-ALS to quantify quinine sulfate in commercial pharmaceutical tablets in solution. The pure concentration and spectral profiles recovered by MCR-ALS proved that both formulation present different polymorphs. These results also were confirmed by two clusters observed in HCA model, according to their similarities within and among the samples that provided useful information about homogeneity of different pharmaceutical manufacturing processes. AuNPs-SERS coupled to MCR-ALS was able to quantify quinine sulfate in the calibration range from 150.00 to 200.00 ng mL-1 even with strong overlapping spectral profile of background SERS signal, proving that is a powerful ultrahigh sensitivity analytical method. This reduced linearity was validated through a large calibration range from 25.00 to 175.00 μg mL-1 used in a reference analytical method based on high performance liquid chromatography with diode array detector (HPLC-DAD) coupled to MCR-ALS for analytical validation purposes even in the presence of coeluted compound. The analytical methods herein developed are fast, because second-order chromatographic data and first-order SERS spectroscopic data where obtained in less than 6 and 2 min, respectively. Concentrations of quinine sulfate were estimated with a low root mean square error of prediction (RMSEP) values and a low relative error of prediction (REP%) in the range 1.8-6.1%.
关键词： Quinine sulfate pharmaceutical tablets,Raman spectrometer,polymorphs,HCA and MCR-ALS,AuNPs-SERS
更新于2025-09-23 15:19:57
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Improved forest height estimation by fusion of simulated GEDI Lidar data and TanDEM-X InSAR data
摘要： Interferometric Synthetic Aperture Radar (InSAR) and lidar are increasingly used active remote sensing techniques for forest structure observation. The TanDEM-X (TDX) InSAR mission of German Aerospace Center (DLR) and the upcoming Global Ecosystem Dynamics Investigation (GEDI) of National Aeronautics and Space Administration (NASA) together may provide more accurate estimates of global forest structure and biomass via their synergic use. In this paper, we explored the efficacy of simulated GEDI data in improving height estimates from TDX InSAR data. Our study sites span three major forest types: a temperate forest, a mountainous conifer forest, and a tropical rainforest. The GEDI lidar coverage was simulated for the full nominal two-year mission duration, under both cloud-free and 50%-cloud conditions. We then used these GEDI data to parameterize the Random Volume over Ground (RVoG) model driven by TDX imagery. In particular, we explored the following three strategies for forest structure estimation: 1) TDX data alone; 2) TDX + GEDI-derived digital terrain model (DTM); and 3) TDX + GEDI DTM + GEDI canopy height. We then validated the retrieved forest heights against wall-to-wall airborne lidar measurements. We found relatively large biases at 90 [m] spatial resolution, from 4.2–11.9 [m], and root mean square errors (RMSEs), from 7.9–12.7 [m] when using TDX data alone under constrained RVoG assumptions of a fixed extinction coefficient (σ) and a zero ground-to-volume amplitude ratio (μ = 0). Results improved significantly with the aid of a DTM derived from GEDI data which enabled estimation of spatially-varying σ values (vs. fixed extinction) under a μ = 0 assumption, with biases reduced to 1.7–4.2 [m] and RMSEs to 4.9–8.6 [m] across cloudy and cloud-free cases. The best agreement was achieved in the third strategy by also incorporating information of GEDI-derived canopy height to further enhance the RVoG parameters. The improved model, when still assuming μ = 0, reduced biases to less than or close to 1 m and further reduced RMSEs to 4.0–6.7 [m]. Finally, we used GEDI data to estimate spatially-varying μ in the RVoG model. We found biases of between ?0.7–0.9 [m] and RMSEs in the range from 2.6–7.1 [m] over the three sites. Our results suggest that use of GEDI data improves height inversion from TDX, providing heights at more accuracy than can be achieved by TDX alone, and enabling wall-to-wall height estimation at much finer spatial resolution than can be achieved by GEDI alone.
关键词： Lidar,GEDI,ALS,Forest height,TanDEM-X,InSAR,RVoG
更新于2025-09-23 15:19:57
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Tracking small heterogeneity in binary mixtures of aliphatic and aromatic hydrocarbons: NIR spectroscopic, 2DCOS and MCR-ALS studies
摘要： To our best knowledge, this is the ?rst spectroscopic study of small heterogeneity at a molecular level in binary mixtures of aliphatic and aromatic hydrocarbons. The composition-dependent spectra of benzene/toluene, benzene/n hexane, benzene/cyclohexane, n hexane/n heptane and n hexane/cyclohexane mixtures were recorded by NIR transmission technique in the whole range of mole fractions. A comprehensive exploration of the experimental data was performed by two-dimensional correlation analysis (2DCOS) and chemometric methods. In addition, we calculated excess NIR molar absorption spectra and parameter of ER, which allows for comparison of the degree of deviation from ideality for various mixtures. Our results reveal that all studied mixtures deviate from the ideal mixture. The extent of these deviations is small for the mixtures were both components are aromatic or aliphatic and increases for aromatic/aliphatic mixtures. In addition, molecular shapes have an important effect on the degree of deviation from the ideal mixture. As expected, benzene/n hexane is the most non-ideal mixture, while behavior of n hexane/n heptane and benzene/toluene mixtures is close to the ideal one. Our results suggest that in the mixtures with the largest deviations from ideality are present homoclusters of both components and heteroclusters. The heteroclusters exist in the whole range of compositions, while the homoclusters appears above a certain concentration limit. If both components of the mixture are similar, the molecules with equal probability form the homo- and heteroclusters. In the case of unlike components, the molecules prefer to form the homoclusters. The homoclusters of both components in the mixture are similar as those observed in bulk constituents. This means that deviation from the ideal mixture results from presence of the heteroclusters.
关键词： Aliphatic/aromatic hydrocarbons,NIR,Clustering,MCR-ALS,Binary mixtures,2DCOS,Chemometrics,Excess absorption spectra,Microheterogeneity
更新于2025-09-19 17:15:36
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Application of infrared spectroscopy as Process Analytics Technology (PAT) approach in biodiesel production process utilizing Multivariate Curve Resolution Alternative Least Square (MCR-ALS)
摘要： Process Analytical Technology means at-line collection of analytical information from the process when the reaction is in progress. Obtained information enables process engineers to better control the Critical Process Parameters and direct the reaction to desirable routs. Near-infrared spectroscopy due to its analytical features, as well as the high capability of automation, versatile sampling and spectral acquisition methods is a useful tool in process monitoring when coupled to chemometrics. The Multiple Scatter Correction preprocessing technique and Alternative Least Square method can extract spectral and concentration information of a reaction mixture simultaneously, were employed pairing with fiber optic Near-Infrared spectroscopy in 1000-2250 nm spectral region was employed to extract the analytical information from the biodiesel production process. The obtained output demonstrated appropriate results about the concentration and type of components during the process. The kinetics of the reaction was also studied using the obtained results and showed a three-stage kinetics with different rates.
关键词： MCR-ALS,Near-Infrared spectroscopy,Process Analytical Technology,Biodiesel
更新于2025-09-19 17:15:36
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Forest Road Status Assessment Using Airborne Laser Scanning
摘要： Forest roads allow access for silvicultural operations, harvesting, recreational activities, wildlife management, and fire suppression. In British Columbia, Canada, roads that are no longer required must be deactivated (temporarily, semipermanently, or permanently) in order to minimize the impact on the overall forested ecosystem. However, the remoteness and size of the road network present challenges for monitoring. Our aim was to examine the utility of airborne laser scanning data to assess the status and quality of forest roads across 52,000 hectares of coastal forest in British Columbia. Within the forest estate, roads can be active or deactivated, or have an unknown status. We classified road segments based on the vegetation growth on the road surface, and edges, by classifying the height distribution of airborne laser scanning returns within each road segment into four groups: no vegetation, minor vegetation, dense understory vegetation, and dense overstory vegetation. Validation indicated that 73 percent of roads were classified correctly when compared to independent field observations. The majority were classified as active roads with no vegetation or deactivated with dense vegetation. The approach presented herein can aid forest managers in verifying the status of the roads in their management area, especially in remote areas where field assessments are costly and time-consuming.
关键词： forest management,forestry,road quality,ALS,land use,LiDAR,road classification
更新于2025-09-19 17:13:59