Search results for: ultra violet-visible rays spectroscopy (UV-VIS)

Authors: Mohamed A. Deyab, Omnia El-Shamy

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The main objective of this case study is to integrate the advantages of cathodic protection technologies in order to lessen chloride-induced corrosion in reinforced concrete. This research employs potentiodynamic polarisation, impedance spectroscopy (EIS), and surface characteristics. The results showed how effectively the new cathodic control strategy is preventing corrosion of the concrete iron rods. Over time, the protective system becomes more reliable and effective. The potentials of the zinc electrode persist still more negative after 30 days, implying that the zinc electrode can maintain powerful electrocatalytic behavior for a long period of time. As per the electrochemical impedance spectroscopy (EIS), using the CP technique reduces the rate of corrosion of rebar iron in cementitious materials over time.

Keywords: cathodic protection, corrosion, reinforced concrete, chloride

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Authors: M. I. Benamrani, H. Benamrani

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In the research to replace silicon and other thin-film semiconductor technologies and to develop long-term technology that is environmentally friendly, low-cost, and abundant, there is growing interest today given to organic materials. Our objective is to prepare polymeric layers containing metal particles deposited on a surface of semiconductor material which can have better electrical properties and which could be applied in the fields of nanotechnology as an alternative to the existing processes involved in the design of electronic circuits. This work consists in the development of composite materials by complexation and electroreduction of copper in a film of poly (pyrrole benzoic acid). The deposition of the polymer film on a monocrystalline silicon substrate is made by electrochemical oxidation in an organic medium. The incorporation of copper particles into the polymer is achieved by dipping the electrode in a solution of copper sulphate to complex the cupric ions, followed by electroreduction in an aqueous solution to precipitate the copper. In order to prepare the monocrystalline silicon substrate as an electrode for electrodeposition, an in-depth study on its surface state was carried out using photoacoustic spectroscopy. An analysis of the optical properties using this technique on the effect of pickling using a chemical solution was carried out. Transmission-photoacoustic and impedance spectroscopic techniques give results in agreement with those of photoacoustic spectroscopy.

Keywords: photoacoustic, spectroscopy, copper sulphate, chemical solution

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Authors: Ljerka Kratofil Krehula, Martina Perlog, Jasmina Stjepanović, Vanja Gilja, Marijana Kraljić Roković, Zlata Hrnjak-Murgić

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The composite preparation of titanium dioxide and zinc oxide photocatalysts with the conductive polymers gives the opportunity to carry out the catalysis reactions not only under UV light but also under visible light. Such processes may efficiently use sunlight in degradation of different organic pollutants and present new design for wastewater treatment. The paper presents the preparation procedure, material characteristics and photocatalytic efficiency of polypyrrole/titanium dioxide and polypyrrole/zinc oxide composites (PPy/TiO2 and PPy/ZnO). The obtained composite samples were characterized by Fourier transform infrared spectroscopy (FTIR), UV-Vis spectroscopy and thermogravimetric analysis (TGA). The photocatalytic efficiency of the samples was determined following the decomposition of Acid Blue 25 dye (AB 25) under UV and visible light by UV/Vis spectroscopy. The efficiency of degradation is determined by total organic carbon content (TOC) after photocatalysis processes. The results show enhanced photocatalytic efficiency of the samples under visible light, so the prepared composite samples are recognized as efficient catalysts in degradation process of AB 25 dye. It can be concluded that the preparation of TiO2 or ZnO composites with PPy can serve as a very efficient method for the improvement of TiO2 and ZnO photocatalytic performance under visible light.

Keywords: composite, photocatalysis, polypyrrole, titanium dioxide, zinc oxide

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Authors: Siti Nurhidayah Naqiah Abdull Rani, Herlina Abdul Rahim

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Near infrared (NIR) spectroscopy has always been of great interest in the food and agriculture industries. The development of predictive models has facilitated the estimation process in recent years. In this research, 176 crude palm oil (CPO) samples acquired from Felda Johor Bulker Sdn Bhd were studied. A FOSS NIRSystem was used to tak e absorbance measurements from the sample. The wavelength range for the spectral measurement is taken at 1600nm to 1900nm. Partial Least Square Regression (PLSR) prediction model with 50 optimal number of principal components was implemented to study the relationship between the measured Free Fatty Acid (FFA) values and the measured spectral absorption. PLSR showed predictive ability of FFA values with correlative coefficient (R) of 0.9808 for the training set and 0.9684 for the testing set.

Keywords: palm oil, fatty acid, NIRS, PLSR

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Authors: Renata Gerhardt, Detlev Belder

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Raman spectroscopy has attracted much attention as a structurally descriptive and label-free detection method. It is particularly suited for chemical analysis given as it is non-destructive and molecules can be identified via the fingerprint region of the spectra. In this work possibilities are investigated how to integrate Raman spectroscopy as a detection method for chip-based chromatography, making use of a droplet interface. A demanding task in lab-on-a-chip applications is the specific and sensitive detection of low concentrated analytes in small volumes. Fluorescence detection is frequently utilized but restricted to fluorescent molecules. Furthermore, no structural information is provided. Another often applied technique is mass spectrometry which enables the identification of molecules based on their mass to charge ratio. Additionally, the obtained fragmentation pattern gives insight into the chemical structure. However, it is only applicable as an end-of-the-line detection because analytes are destroyed during measurements. In contrast to mass spectrometry, Raman spectroscopy can be applied on-chip and substances can be processed further downstream after detection. A major drawback of Raman spectroscopy is the inherent weakness of the Raman signal, which is due to the small cross-sections associated with the scattering process. Enhancement techniques, such as surface enhanced Raman spectroscopy (SERS), are employed to overcome the poor sensitivity even allowing detection on a single molecule level. In SERS measurements, Raman signal intensity is improved by several orders of magnitude if the analyte is in close proximity to nanostructured metal surfaces or nanoparticles. The main gain of lab-on-a-chip technology is the building block-like ability to seamlessly integrate different functionalities, such as synthesis, separation, derivatization and detection on a single device. We intend to utilize this powerful toolbox to realize Raman detection in chip-based chromatography. By interfacing on-chip separations with a droplet generator, the separated analytes are encapsulated into numerous discrete containers. These droplets can then be injected with a silver nanoparticle solution and investigated via Raman spectroscopy. Droplet microfluidics is a sub-discipline of microfluidics which instead of a continuous flow operates with the segmented flow. Segmented flow is created by merging two immiscible phases (usually an aqueous phase and oil) thus forming small discrete volumes of one phase in the carrier phase. The study surveys different chip designs to realize coupling of chip-based chromatography with droplet microfluidics. With regards to maintaining a sufficient flow rate for chromatographic separation and ensuring stable eluent flow over the column different flow rates of eluent and oil phase are tested. Furthermore, the detection of analytes in droplets with surface enhanced Raman spectroscopy is examined. The compartmentalization of separated compounds preserves the analytical resolution since the continuous phase restricts dispersion between the droplets. The droplets are ideal vessels for the insertion of silver colloids thus making use of the surface enhancement effect and improving the sensitivity of the detection. The long-term goal of this work is the first realization of coupling chip based chromatography with droplets microfluidics to employ surface enhanced Raman spectroscopy as means of detection.

Keywords: chip-based separation, chip LC, droplets, Raman spectroscopy, SERS

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Authors: Prakash Chand, Anurag Gaur, Ashavani Kumar

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In the present study, we have synthesized Cr and Fe doped zinc oxide (ZnO) nano-structures (Zn1-δCraFebO; where δ= a + b=20%, a = 5, 6, 8 & 10% and b=15, 14, 12 & 10%) via sol-gel method at different doping concentrations. The synthesized samples were characterized for structural properties by X-ray diffractometer and field emission scanning electron microscope and the optical properties were carried out through photoluminescence and UV-visible spectroscopy. The particle size calculated through field emission scanning electron microscope varies from 41 to 96 nm for the samples synthesized at different doping concentrations. The optical band gaps calculated through UV-visible spectroscopy are found to be decreasing from 3.27 to 3.02 eV as the doping concentration of Cr increases and Fe decreases.

Keywords: nano-structures, optical properties, sol-gel method, zinc oxide

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Authors: Moon Moon Devi, Ran Budnik

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The current large area cosmic ray detector surface arrays typically measure only the net flux and arrival-time of the charged particles produced in an extensive air shower (EAS). Measurement of the individual charged particles at a surface array will provide additional distinguishing parameters to identify the primary and to map the very high energy interactions in the upper layers of the atmosphere. In turn, these may probe anomalies in QCD interactions at energies beyond the reach of current accelerators. The recent attempts of studying the individual muon tracks are limited in their expandability to larger arrays and can only probe primary particles with energy up to about 10^15.5 eV. New developments in detector technology allow for a realistic cost of large area detectors, however with limitations on energy resolutions, directional information, and dynamic range. In this study, we perform a simulation study using CORSIKA to combine the energy spectrum and lateral spread of the muons with the longitudinal depth (Xmax) of an EAS initiated by a primary at ultra high energies (10¹⁶ – 10¹⁹) eV. Using proton and iron as the shower primaries, we show that the muon observables and Xmax together can be used to distinguish the primary. This study can be used to design a future detector for the surface array, which will be able to enhance our knowledge of primaries and QCD interactions.

Keywords: ultra high energy extensive air shower, muon tracking, air shower primaries, QCD interactions

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Authors: Mebarek Boukelkoul, Abdelhalim Haroun

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By means of the first principle calculation, we have investigated the structural, magnetic and magneto-optical properties of the ultra-thin films of Fen/Cu(001) with (n=1, 2, 3). We adopted a relativistic approach using DFT theorem with local spin density approximation (LSDA). The electronic structure is performed within the framework of the Spin-Polarized Relativistic (SPR) Linear Muffin-Tin Orbitals (LMTO) with the Atomic Sphere Approximation (ASA) method. During the variational principle, the crystal wave function is expressed as a linear combination of the Bloch sums of the so-called relativistic muffin-tin orbitals centered on the atomic sites. The crystalline structure is calculated after an atomic relaxation process using the optimization of the total energy with respect to the atomic interplane distance. A body-centered tetragonal (BCT) pseudomorphic crystalline structure with a tetragonality ratio c/a larger than unity is found. The magnetic behaviour is characterized by an enhanced magnetic moment and a ferromagnetic interplane coupling. The polar magneto-optical Kerr effect spectra are given over a photon energy range extended to 15eV and the microscopic origin of the most interesting features are interpreted by interband transitions. Unlike thin layers, the anisotropy in the ultra-thin films is characterized by a perpendicular magnetization which is perpendicular to the film plane.

Keywords: ultrathin films, magnetism, magneto-optics, pseudomorphic structure

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Authors: Lina Yang, Mao Wen, Jianhong Chen, Kan Zhang

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Molybdenum disulfide (MoS₂) represents a highly sought lubricant for reducing friction based on intrinsic layered structure, but for this reason, practical applications have been greatly restricted due to the fact that its low hardness would cause severe wear. Here, a novel TiMoN/MoSₓ composite coatings with TiMoN solid solution grains embedded into MoSₓ-based amorphous matrix has been successfully designed and synthesized, through magnetron co-sputtering technology. Desirably, in virtue of such special microstructure, superhardness and excellent toughness can be well achieved, along with an ultra-low wear rate at ~2×10⁻¹¹ mm³/Nm in the air environment, simultaneously, low friction at ~0.1 is maintained. It should be noted that this wear level is almost two orders of magnitude lower than that of pure TiN coating, and is, as we know, the lowest wear rate in dry sliding. Investigations of tribofilm reveal that it is amorphous MoS₂ in nature, and its formation arises directly from the MoSₓ amorphous matrix. Which contributes to effective lubrication behavior, coupled with excellent mechanical performances of such composite coating, exceptionally low wear can be guaranteed. The findings in this work suggest that the special composite structure makes it possible for the synthesis of super-hard and super-durable lubricative coating, offering guidance to synthesize ultrahigh performance protective coating for industrial application.

Keywords: hardness, MoS₂-containing composite coatings, toughness, tribological properties

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Authors: Mustapha El Mataouy, Abellatif Aaliti, Mouhamed Khaddor

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Erbium actived silica-hafnia planar waveguides have been prepared by sol-gel route. The films were deposited on vitreous silica substrates using dip-coating technique. The parameters of preparation have been chosen to optimize the waveguides for operation in the near infrared (NIR) region, and to increase the luminescence efficiency of the metastable 4I13/2 state of Erbium ions. The waveguides properties were determined by m-lines spectroscopy, loss measurements. Waveguide Raman and luminescence spectroscopy were used to obtain information about the structure of the prepared films and about the dynamical process related to the emission in the C telecom band (1530nm-1565nm) of the Erbium ions. The results are discussed with the aim of comparing the structural and optical properties of Erbium activated silica-hafnia planar waveguides with different molar ratio of Si / Hf.

Keywords: erbium, optical amplifiers, silica-hafnia, sol-gel, waveguide

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Authors: Shahab Zomorodbakhsh, Hayron Nesa Motevasel

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Water soluble compoundes were attached to single-walled carbon nanotubes (SWNTs) to form water-soluble nano pigments. functionalized SWNTs were then characterized by Fourier Transform Infrared spectroscopy (FT-IR), Raman spectroscopy, UV analysis, Transmission electron microscopy (TEM)and defunctionalization test and Representative results concerning the solubility. The product can be dissolved in water and High-resolution transmission electron microscope images showed that the SWNTs were efficiently functionalized, thus the p-stacking interaction between aromatic rings and COOH of SWNTs was considered responsible for the high solubility and High transmission electron in singlewall nanotubes.

Keywords: functionalized CNTs, singlewalled carbon nanotubes, water soluble compoundes, nano pigments

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Authors: Sumara Khursheed, Jitendra Sharma

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The present work reports synthesis of nanocomposites (NCs) of phosphor (KCaVO4:Sm3+) embedded poly(methylmethacrylate) (PMMA) using solution casting method and their optical properties measurements for their possible application in making flexible luminescent films. X-ray diffraction analyses were employed to obtain the structural parameters as crystallinity, shape and size of the obtained NCs. The emission and excitation spectra were obtained using Photoluminescence spectroscopy to quantify the spectral properties of these fluorescent polymer/phosphor films. Optical energy gap has been estimated using UV-VIS spectroscopy while differential scanning calorimetry (DSC) was exploited to measure the thermal properties of the NC films in terms of their thermal stability, glass transition temperature and degree of crystallinity etc.

Keywords: nanocomposites, luminescence, XRD, differential scanning calorimetry, PMMA

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Authors: Nadia A. Wassif, Bassem S. Nabawy

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This paper gives an account of the petrophysical characteristics and the petrographical descriptions of Tertiary vesicular and amygdaloidal olivine basalt samples from Wadi Wizr in the central Eastern Desert of Egypt. The petrographical studies indicated that the studied vesicular basalt is rich in calcic-plagioclase, augite and olivine in addition to numerous amounts of fine opaque minerals and vesicules filled with carbonate and quartz amygdales. The degree of oxidation and alteration of magnetite and ilmenite were discussed in details. Petrophysically, the studied samples can be grouped into two main groups; the first group of samples is amygdaloidal basalt as the second group is vesicular. The vesicular group (the permeable one) is characterized by fair to very good porosity ‘Φ’, good to very good permeability ‘k’, very low true formation factor ‘F’ and micro to ultra micropores. On the other hand, the amygdaloidal basalt group (impermeable group) is characterized by very low storage capacity properties, fair porosity, negligible permeability, medium to high true formation factor and ultra micorpores. It has been found that; the petrophysical behavior is strongly dependent on the degree of oxidation and alteration; and in particular on the rate of cooling and oxidation of the ore minerals which caused filling in the primarily produced vesicules by low temperature secondary minerals.

Keywords: vesicular, amygdaloidal, basalt, petrophysics, Egypt

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Authors: El Mehdi Haily, Lahcen Bih, Mohammed Azrour, Bouchaib Manoun

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The effects of xBi₂O₃-yBaO-zP₂O₅ (BBP) glass addition on the sintering, structural, and dielectric properties of BaTiO₃ ceramic (BT) are studied. The BT ceramic was synthesized by the conventional solid-state reaction method while the glasses BaO-Bi₂O₃-P₂O₅ (BBP) were elaborated by melting and quenching process. Different composites BT-xBBP were formed by mixing the BBP glasses with BT ceramic. For each glass composition, where the ratio (x:y:z) is maintained constant, we have developed three composites with different glass weight percentage (x = 2.5, 5, and 7.5 wt %). Addition of the glass helps in better sintering at lower temperatures with the presence of liquid phase at the respective sintering temperatures. The results showed that the sintering temperature decreased from more than 1300°C to 900°C. Density measurements of the composites are performed using the standard Archimedean method with water as medium liquid. It is found that their density and molar volume decrease and increase with glass content, respectively. Raman spectroscopy is used to characterize their structural approach. This technique has allowed the identification of different structural units of phosphate and the characteristic vibration modes of the BT. The electrical properties of the composite samples are carried out by impedance spectroscopy in the frequency range of 10 Hz to 1 MHz under various temperatures from 300 to 473 K. The obtained results show that their dielectric properties depend both on the content of the glass in the composite and the Bi/P ratio in the glasses.

Keywords: phosphate, glasses, composite, Raman spectroscopy, dielectric properties

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Authors: Kamélia Bouderbala, Hichem Nouira, Etienne Videcoq, Manuel Girault, Daniel Petit

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Thermal drifts caused by the power dissipated by the mechanical guiding systems constitute the main limit to enhance the accuracy of an ultra-high precision cylindricity measuring machine. For this reason, a high precision compact prototype has been designed to simulate the behaviour of the instrument. It ensures in situ calibration of four capacitive displacement probes by comparison with four laser interferometers. The set-up includes three heating wires for simulating the powers dissipated by the mechanical guiding systems, four additional heating wires located between each laser interferometer head and its respective holder, 19 Platinum resistance thermometers (Pt100) to observe the temperature evolution inside the set-up and four Pt100 sensors to monitor the ambient temperature. Both a Reduced Model (RM), based on the Modal Identification Method (MIM) was developed and optimized by comparison with the experimental results. Thereafter, time dependent tests were performed under several conditions to measure the temperature variation at 19 fixed positions in the system and compared to the calculated RM results. The RM results show good agreement with experiment and reproduce as well the temperature variations, revealing the importance of the RM proposed for the evaluation of the thermal behaviour of the system.

Keywords: modal identification method (MIM), thermal behavior and drift, dimensional metrology, measurement

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Authors: Tobias Bader, Joerg Rickert

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One key factor in achieving net zero emissions along the cement and concrete value chain in Europe by 2050 is the use of distinct constituents to produce improved and advanced cements. These cements will contain e.g. calcined clays, recycled concrete fines that are chemically similar as well as X-ray amorphous and therefore difficult to distinguish. This leads to enhanced requirements on the analytical methods for quality control regarding accuracy as well as reproducibility due to the more complex cement composition. With the methods currently provided for in the European standards, it will be a challenge to ensure reliable analyses of the composition of the cements. In an ongoing research project, infrared (IR) spectroscopy in combination with mathematical tools (chemometrics) is going to be evaluated as an additional analytical method with fast and low preparation effort for the characterization of silicate-based cement constituents. The resulting comprehensive database should facilitate determination of the composition of new cements. First results confirmed the applicability of near-infrared IR for the characterization of traditional silicate-based cement constituents (e.g. clinker, granulated blast furnace slag) and modern X-ray amorphous constituents (e.g. calcined clay, recycled concrete fines) as well as different sulfate species (e.g. gypsum, hemihydrate, anhydrite). A multivariant calibration model based on numerous calibration mixtures is in preparation. The final analytical concept to be developed will form the basis for establishing IR spectroscopy as a rapid analytical method for characterizing material flows of known and unknown inorganic substances according to their material properties online and offline. The underlying project was funded by the Federal Institute for Research on Building, Urban Affairs and Spatial Development on behalf of the Federal Ministry of Housing, Urban Development and Building with funds from the ‘Zukunft Bau’ research programme.

Keywords: cement, infrared spectroscopy, quality control, X-ray amorphous

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Authors: Mohammadhosein Rahimi, Mohammad Raouf Hosseini, Mehran Bakhshi, Alireza Baghbanan

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Silver ions (Ag⁺) and their compounds are consequentially toxic to microorganisms, showing biocidal effects on many species of bacteria. Silver-phosphate (or silver orthophosphate) is one of these compounds, which is famous for its antimicrobial effect and catalysis application. In the present study, a green method was presented to synthesis silver-phosphate nanoparticles using Sporosarcina pasteurii. The composition of the biosynthesized nanoparticles was identified as Ag₃PO₄ using X-ray Diffraction (XRD) and Energy Dispersive Spectroscopy (EDS). Also, Fourier Transform Infrared (FTIR) spectroscopy showed that Ag₃PO₄ nanoparticles was synthesized in the presence of biosurfactants, enzymes, and proteins. In addition, UV-Vis adsorption of the produced colloidal suspension approved the results of XRD and FTIR analyses. Finally, Transmission Electron Microscope (TEM) images indicated that the size of the nanoparticles was about 20 nm.

Keywords: bacteria, biosynthesis, silver-phosphate, Sporosarcina pasteurii, nanoparticle

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Authors: Khodzhaberdi Allaberdiev

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Substituted phenols are widely used for the synthesis of advanced polycondensation polymers. In terms of the structure regularity and practical value of obtained polymers are of special interest the p-substituted phenols. The lanthanide induced shifts (LIS) of the aromatic ring and the OH protons by addition Eu(fod)3 to various p-substituted phenols in CDCL3 solvent were measured Nuclear Magnetic Resonance spectroscopy. A linear relationship has been observed between the LIS of protons (∆=δcomplex –δsubstrate) and Eu(fod)3/substrate molar ratios. The LIS protons of the investigated phenols decreases in the following order: ОН > ortho > meta. The LIS of these protons also depends on both steric and electronic effects of p-substituents. The effect on the LIS of protons steric hindrance of substituents by way of example p-substituted alkyl phenols was studied. Alkyl phenols exhibit pronounced europium- induced shifts, their sensitivity increasing in the order: CH3 > C2H5 > sym-C5H11 > tert-C5H11 > tert-C4H9, i.e. in parallel with decreasing steric hindrance. The influence steric hindrance p-substituents of phenols on the LIS of protons in sequence following decreases: OH> meta >ortho. Contrary to the expectations, it is found that the LIS of the ortho protons an excellent linear correlation with meta-substituent constants, σm for 14 p-substituted phenols: ∆H2, 6=8.165-9.896 σm (r2=0,999). Moreover, a linear correlation between the LIS of the ortho protons and ionization constants, РКa of p-substituted phenols has been revealed. Similarly, the linear relationships for the LIS of the meta and the OH protons were obtained. Use the LIS of the phenolic hydroxyl groups for linear relationships is necessary with care, because of the signal broadening of the OH protons. New constants may be determinate with unusual case by this approach.

Keywords: novel correlations, NMR spectroscopy, phenols, shift reagent

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Authors: Tae-Hoon Kim, Kwon-Ha Yoon, Hong Young Jun, Ki-Jong Kim, Young Hwan Lee, Myeung Su Lee, Keum Ha Choi, Ki Jung Yun, Eun Young Cho, Yong-Yeon Jeong, Chung-Hwan Jun

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Purpose: To assess the changes of hepatic metabolite for differentiation between non-alcoholic steatohepatitis (NASH) and simple steatosis on proton magnetic resonance spectroscopy (1H-MRS) in both humans and animal model. Methods: The local institutional review board approved this study and subjects gave written informed consent. 1H-MRS measurements were performed on a localized voxel of the liver using a point-resolved spectroscopy (PRESS) sequence and hepatic metabolites of alanine (Ala), lactate/triglyceride (Lac/TG), and TG were analyzed in NASH, simple steatosis and control groups. The group difference was tested with the ANOVA and Tukey’s post-hoc tests, and diagnostic accuracy was tested by calculating the area under the receiver operating characteristics (ROC) curve. The associations between metabolic concentration and pathologic grades or non-alcoholic fatty liver disease(NAFLD) activity scores were assessed by the Pearson’s correlation. Results: Patient with NASH showed the elevated Ala(p<0.001), Lac/TG(p < 0.001), TG(p < 0.05) concentration when compared with patients who had simple steatosis and healthy controls. The NASH patients were higher levels in Ala(mean±SEM, 52.5±8.3 vs 2.0±0.9; p < 0.001), Lac/TG(824.0±168.2 vs 394.1±89.8; p < 0.05) than simple steatosis. The area under the ROC curve to distinguish NASH from simple steatosis was 1.00 (95% confidence interval; 1.00, 1.00) with Ala and 0.782 (95% confidence interval; 0.61, 0.96) with Lac/TG. The Ala and Lac/TG levels were well correlated with steatosis grade, lobular inflammation, and NAFLD activity scores. The metabolic changes in human were reproducible to a mice model induced by streptozotocin injection and a high-fat diet. Conclusion: 1H-MRS would be useful for differentiation of patients with NASH and simple hepatic steatosis.

Keywords: non-alcoholic fatty liver disease, non-alcoholic steatohepatitis, 1H MR spectroscopy, hepatic metabolites

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Authors: Cherry Dhiman, Ayushi Paliwal, Mohd. Shahid Khan, M. N. Reddy, Vinay Gupta, Monika Tomar

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The laser based high resolution spectroscopic experimental techniques such as Laser Induced Breakdown Spectroscopy (LIBS), Rotating Disk Electrode Optical Emission spectroscopy (RDE-OES) and Surface Plasmon Resonance (SPR) have been used for the study of composition and degradation analysis of used engine oils. Engine oils are mainly composed of aliphatic and aromatics compounds and its soot contains hazardous components in the form of fine, coarse and ultrafine particles consisting of wear metal elements. Such coarse particulates matter (PM) and toxic elements are extremely dangerous for human health that can cause respiratory and genetic disorder in humans. The combustible soot from thermal power plants, industry, aircrafts, ships and vehicles can lead to the environmental and climate destabilization. It contributes towards global pollution for land, water, air and global warming for environment. The detection of such toxicants in the form of elemental analysis is a very serious issue for the waste material management of various organic, inorganic hydrocarbons and radioactive waste elements. In view of such important points, the current study on used engine oils was performed. The fundamental characterization of engine oils was conducted by measuring water content and kinematic viscosity test that proves the crude analysis of the degradation of used engine oils samples. The microscopic quantitative and qualitative analysis was presented by RDE-OES technique which confirms the presence of elemental impurities of Pb, Al, Cu, Si, Fe, Cr, Na and Ba lines for used waste engine oil samples in few ppm. The presence of such elemental impurities was confirmed by LIBS spectral analysis at various transition levels of atomic line. The recorded transition line of Pb confirms the maximum degradation which was found in used engine oil sample no. 3 and 4. Apart from the basic tests, the calculations for dielectric constants and refractive index of the engine oils were performed via SPR analysis.

Keywords: surface plasmon resonance, laser-induced breakdown spectroscopy, ICCD spectrometer, engine oil

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Authors: Simran Baweja, Bhavika Kalal, Surajit Maity

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Photoinduced tautomerization reactions have been the centre of attention among scientific community over past several decades because of their significance in various biological systems. 7-azaindole (7AI) is considered as a model system for DNA base pairing and to understand the role of such tautomerization reactions in mutations. To the best of our knowledge, extensive studies have been carried on 7-azaindole and its solvent clusters exhibiting proton/ hydrogen transfer in both solution as well as gas phase. Derivatives of above molecule, like 2,7- and 2,6-diazaindoles are proposed to have even better photophysical properties due to the presence of -aza group on the 2nd position. However, there are a few studies in the solution phase which suggest the relevance of these molecules, but there are no experimental studies reported in the gas phase yet. In our current investigation, we present the first gas phase spectroscopic data of 2,7-diazaindole (2,7-DAI) and its solvent cluster (2,7-DAI-H2O). In this, we have employed state-of-the-art laser spectroscopic methods such as fluorescence excitation (LIF), dispersed fluorescence (DF), resonant two-photon ionization time of flight mass spectrometry (2C-R2PI), photoionization efficiency spectroscopy (PIE), IR-UV double resonance spectroscopy i.e. fluorescence-dip infrared spectroscopy (FDIR) and resonant ion-dip infrared spectroscopy (IDIR) to understand the electronic structure of the molecule. The origin band corresponding to S1 ← S0 transition of the bare 2,7-DAI is found to be positioned at 33910 cm-1 whereas the origin band corresponding to S1 ← S0 transition of the 2,7-DAI-H2O is positioned at 33074 cm-1. The red shifted transition in case of solvent cluster suggests the enhanced feasibility of excited state hydrogen/ proton transfer. The ionization potential for the 2,7-DAI molecule is found to be 8.92 eV, which is significantly higher that the previously reported 7AI (8.11 eV) molecule, making it a comparatively complex molecule to study. The ionization potential is reduced by 0.14 eV in case of 2,7-DAI-H2O (8.78 eV) cluster compared to that of 2,7-DAI. Moreover, on comparison with the available literature values of 7AI, we found the origin band of 2,7-DAI and 2,7-DAI-H2O to be red shifted by -729 and -280 cm-1 respectively. The ground and excited state N-H stretching frequencies of the 27DAI molecule were determined using fluorescence-dip infrared spectra (FDIR) and resonant ion dip infrared spectroscopy (IDIR), obtained at 3523 and 3467 cm-1, respectively. The lower value of vNH in the electronic excited state of 27DAI implies the higher acidity of the group compared to the ground state. Moreover, we have done extensive computational analysis, which suggests that the energy barrier in excited state reduces significantly as we increase the number of catalytic solvent molecules (S= H2O, NH3) as well as the polarity of solvent molecules. We found that the ammonia molecule is a better candidate for hydrogen transfer compared to water because of its higher gas-phase basicity. Further studies are underway to understand the excited state dynamics and photochemistry of such N-rich chromophores.

Keywords: photoinduced tautomerization reactions, gas phse spectroscopy, ), IR-UV double resonance spectroscopy, resonant two-photon ionization time of flight mass spectrometry (2C-R2PI)

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Authors: M. Rouhani, F. C. N. Hong, Y. R. Jeng

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The tribological performance of DLC films is limited by graphitization at elevated temperatures. Despite of numerous studies on the thermal stability of DLC films, a comprehensive in-situ characterization at elevated temperature is still lacking. In this study, DLC films were deposited using filtered cathodic arc vacuum method. Thermal stability of the films was characterized in-situally using a synchronized technique integrating Raman spectroscopy and depth-sensing measurements. Tests were performed in a high temperature chamber coupled with feedback control to make it possible to study the temperature effects in the range of 21 – 450 ̊C. Co-located SPM and Raman microscopy maps at different temperature over a specific area on the surface of the film were prepared. The results show that the thermal stability of the DLC films depends on their sp3 content. Films with lower sp3 content endure graphitization during the temperature-course used in this study. The graphitization is accompanied with significant changes in surface roughness and Raman spectrum of the film. Surface roughness of the films start to change even before graphitization transformation could be detected using Raman spectroscopy. Depth-sensing tests (nanoindentation, nano-scratch and wear) endorse the surface roughness change seen before graphitization occurrence. This in-situ study showed that the surface of the films is more sensitive to temperature rise compared to the bulk. We presume the changes observed in films hardness, surface roughness and scratch resistance with temperature rise, before graphitization occurrence, is due to surface relaxation.

Keywords: DLC film, nanoindentation, Raman spectroscopy, thermal stability

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Authors: Aleksander Ostrowski, Hugh J. Byrne, Roland Sanctuary

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Investigation of the polymer interphases is an emerging field nowadays. In many cases interphases determine the functionality of a system. There is a great demand for exploration of fundamental understanding of the interphases and elucidation of their formation, dimensions dependent on various influencing factors, change of functional properties, etc. The epoxy applied on porous glass penetrates its pores with an extent dependent on the pore size, temperature and epoxy components mixing ratio. Developed over the recent time challenging sample preparation procedure allowed to produce very smooth epoxy-porous glass cross-sections. In this study, Raman spectroscopy was used to investigate the epoxy-porous glass interphases. It allowed for chemical differentiation between different regions at the cross-section and determination of the degree of cure of epoxy system in the porous glass.

Keywords: interphases, Raman spectroscopy, epoxy, porous glass

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Authors: Farzan Gity, Lida Ansari, Ian M. Povey, Roger E. Nagle, James C. Greer

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Titanium nitride (TiN) films have been widely used in variety of fields, due to its unique electrical, chemical, physical and mechanical properties, including low electrical resistivity, chemical stability, and high thermal conductivity. In microelectronic devices, thin continuous TiN films are commonly used as diffusion barrier and metal gate material. However, as the film thickness decreases below a few nanometers, electrical properties of the film alter considerably. In this study, the physical and electrical characteristics of 1.5nm to 22nm thin films deposited by Plasma-Enhanced Atomic Layer Deposition (PE-ALD) using Tetrakis(dimethylamino)titanium(IV), (TDMAT) chemistry and Ar/N2 plasma on 80nm SiO2 capped in-situ by 2nm Al2O3 are investigated. ALD technique allows uniformly-thick films at monolayer level in a highly controlled manner. The chemistry incorporates low level of oxygen into the TiN films forming titanium oxynitride (TiON). Thickness of the films is characterized by Transmission Electron Microscopy (TEM) which confirms the uniformity of the films. Surface morphology of the films is investigated by Atomic Force Microscopy (AFM) indicating sub-nanometer surface roughness. Hall measurements are performed to determine the parameters such as carrier mobility, type and concentration, as well as resistivity. The >5nm-thick films exhibit metallic behavior; however, we have observed that thin film resistivity is modulated significantly by film thickness such that there are more than 5 orders of magnitude increment in the sheet resistance at room temperature when comparing 5nm and 1.5nm films. Scattering effects at interfaces and grain boundaries could play a role in thickness-dependent resistivity in addition to quantum confinement effect that could occur at ultra-thin films: based on our measurements the carrier concentration is decreased from 1.5E22 1/cm3 to 5.5E17 1/cm3, while the mobility is increased from < 0.1 cm2/V.s to ~4 cm2/V.s for the 5nm and 1.5nm films, respectively. Also, measurements at different temperatures indicate that the resistivity is relatively constant for the 5nm film, while for the 1.5nm film more than 2 orders of magnitude reduction has been observed over the range of 220K to 400K. The activation energy of the 2.5nm and 1.5nm films is 30meV and 125meV, respectively, indicating that the TiON ultra-thin films are exhibiting semiconducting behaviour attributing this effect to a metal-semiconductor transition. By the same token, the contact is no longer Ohmic for the thinnest film (i.e., 1.5nm-thick film); hence, a modified lift-off process was developed to selectively deposit thicker films allowing us to perform electrical measurements with low contact resistance on the raised contact regions. Our atomic scale simulations based on molecular dynamic-generated amorphous TiON structures with low oxygen content confirm our experimental observations indicating highly n-type thin films.

Keywords: activation energy, ALD, metal-semiconductor transition, resistivity, titanium oxynitride, ultra-thin film

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Authors: Fatma Mohamed Magdy Badr El Dine, Amr Mohamed Abd Allah

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Introduction: Age estimation of individuals is one of the crucial steps in forensic practice. Different traditional methods rely on the length of the diaphysis of long bones of limbs, epiphyseal-diaphyseal union, fusion of the primary ossification centers as well as dental eruption. However, there is a growing need for the development of precise and reliable methods to estimate age, especially in cases where dismembered corpses, burnt bodies, purified or fragmented parts are recovered. Teeth are the hardest and indestructible structure in the human body. In recent years, assessment of pulp/tooth area ratio, as an indirect quantification of secondary dentine deposition has received a considerable attention. However, scanty work has been done in Egypt in terms of applicability of pulp/tooth ratio for age estimation. Aim of the Work: The present work was designed to assess the Cameriere’s method for age estimation from pulp/tooth ratio of maxillary canines, central and lateral incisors among a sample from Egyptian population. In addition, to formulate regression equations to be used as population-based standards for age determination. Material and Methods: The present study was conducted on 270 peri-apical X-rays of maxillary canines, central and lateral incisors (collected from 131 males and 139 females aged between 19 and 52 years). The pulp and tooth areas were measured using the Adobe Photoshop software program and the pulp/tooth area ratio was computed. Linear regression equations were determined separately for canines, central and lateral incisors. Results: A significant correlation was recorded between the pulp/tooth area ratio and the chronological age. The linear regression analysis revealed a coefficient of determination (R² = 0.824 for canine, 0.588 for central incisor and 0.737 for lateral incisor teeth). Three regression equations were derived. Conclusion: As a conclusion, the pulp/tooth ratio is a useful technique for estimating age among Egyptians. Additionally, the regression equation derived from canines gave better result than the incisors.

Keywords: age determination, canines, central incisors, Egypt, lateral incisors, pulp/tooth ratio

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Authors: Pasquale Porcu, Mireille Vonlanthen, Gerardo Zaragoza-Galán, Ernesto Rivera

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In this work, we report the synthesis of a novel series of dendritic molecules bearing donor-acceptor groups (pyrene-bodipy) with potential applications in energy transfer. Initially, first and second generation Fréchet type dendrons (Py2-G1OH and Py4-G2OH) were prepared from 1-pyrenylbutanol and 3,5-dihydroxybenzylic alcohol. These compounds were further linked to a bodipy unit via an esterification reaction in order to obtain the desired products (Bodipy-G1Py2) and Bodipy-G2Py4). These compounds were fully characterized by FTIR and 1H and 13C NMR spectroscopy and their molecular weights were determined by MALDITOF. The optical and photophysical properties of these molecules were evaluated by absorbance and fluorescence spectroscopy, in order to compare their behaviour with other analogue molecules.

Keywords: bodipy, dendritic molecules, optical properties, pyrene

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Authors: Xuechun Kan, Dongdong Li, Fan Li, Peidang Liu

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Triple-negative breast cancer (TNBC) is the most malignant subtype of breast cancer with a poor prognosis, and radiotherapy is one of the main treatment methods. However, due to the obvious resistance of tumor cells to radiotherapy, high dose of ionizing radiation is required during radiotherapy, which causes serious damage to normal tissues near the tumor. Therefore, how to improve radiotherapy resistance and enhance the specific killing of tumor cells by radiation is a hot issue that needs to be solved in clinic. Recent studies have shown that silver-based nanoparticles have strong radiosensitization, and silver nanoclusters (AgNCs) also provide a broad prospect for tumor targeted radiosensitization therapy due to their ultra-small size, low toxicity or non-toxicity, self-fluorescence and strong photostability. Aptamer 5TR1 is a 25-base oligonucleotide aptamer that can specifically bind to mucin-1 highly expressed on the membrane surface of TNBC 4T1 cells, and can be used as a highly efficient tumor targeting molecule. In this study, AgNCs were synthesized by DNA template based on 5TR1 aptamer (NC-T5-5TR1), and its role as a targeted radiosensitizer in TNBC radiotherapy was investigated. The optimal DNA template was first screened by fluorescence emission spectroscopy, and NC-T5-5TR1 was prepared. NC-T5-5TR1 was characterized by transmission electron microscopy, ultraviolet-visible spectroscopy and dynamic light scattering. The inhibitory effect of NC-T5-5TR1 on cell activity was evaluated using the MTT method. Laser confocal microscopy was employed to observe NC-T5-5TR1 targeting 4T1 cells and verify its self-fluorescence characteristics. The uptake of NC-T5-5TR1 by 4T1 cells was observed by dark-field imaging, and the uptake peak was evaluated by inductively coupled plasma mass spectrometry. The radiation sensitization effect of NC-T5-5TR1 was evaluated through cell cloning and in vivo anti-tumor experiments. Annexin V-FITC/PI double staining flow cytometry was utilized to detect the impact of nanomaterials combined with radiotherapy on apoptosis. The results demonstrated that the particle size of NC-T5-5TR1 is about 2 nm, and the UV-visible absorption spectrum detection verifies the successful construction of NC-T5-5TR1, and it shows good dispersion. NC-T5-5TR1 significantly inhibited the activity of 4T1 cells and effectively targeted and fluoresced within 4T1 cells. The uptake of NC-T5-5TR1 reached its peak at 3 h in the tumor area. Compared with AgNCs without aptamer modification, NC-T5-5TR1 exhibited superior radiation sensitization, and combined radiotherapy significantly inhibited the activity of 4T1 cells and tumor growth in 4T1-bearing mice. The apoptosis level of NC-T5-5TR1 combined with radiation was significantly increased. These findings provide important theoretical and experimental support for NC-T5-5TR1 as a radiation sensitizer for TNBC.

Keywords: 5TR1 aptamer, silver nanoclusters, radio sensitization, triple-negative breast cancer

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Authors: K. Petcharaporn

Abstract:

The external characteristics of tomatoes, such as freshness, color and size are typically used in quality control processes for tomatoes sorting. However, the internal mold infection of intact tomato cannot be sorted based on a visible assessment and destructive method alone. In this study, a non-destructive technique was used to predict the internal mold infection of intact tomatoes by using transmittance visible and near infrared (VIS-NIR) spectroscopy. Spectra for 200 samples contained 100 samples for normal tomatoes and 100 samples for mold infected tomatoes were acquired in the wavelength range between 665-955 nm. This data was used in conjunction with partial least squares-discriminant analysis (PLS-DA) method to generate a classification model for tomato quality between groups of internal mold infection of intact tomato samples. For this task, the data was split into two groups, 140 samples were used for a training set and 60 samples were used for a test set. The spectra of both normal and internally mold infected tomatoes showed different features in the visible wavelength range. Combined spectral pretreatments of standard normal variate transformation (SNV) and smoothing (Savitzky-Golay) gave the optimal calibration model in training set, 85.0% (63 out of 71 for the normal samples and 56 out of 69 for the internal mold samples). The classification accuracy of the best model on the test set was 91.7% (29 out of 29 for the normal samples and 26 out of 31 for the internal mold tomato samples). The results from this experiment showed that transmittance VIS-NIR spectroscopy can be used as a non-destructive technique to predict the internal mold infection of intact tomatoes.

Keywords: tomato, mold, quality, prediction, transmittance

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Authors: Kanta Maan Sangwan, Neetu Ahlawat, Rajender Singh Kundu

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BaZrTiO3 ceramics having high dielectric constant and low dielectric loss are interesting material for being used as commercial capacitor applications. BZT (BaZrTiO3) has attracted attentions for their many applications for the microwave technology as the doping of Zr4+ on Ti4+ has advantage to the stability of the system. In the present work, co-doping of Zr and V with BaTiO3 ceramics was synthesized by the conventional solid state reaction technique and sintered at 1200 K for 6 hours, and their structural and ferroelectric properties were studied. The XRD (x-ray diffraction) pattern of BZT (BaZrTiO3) ceramics shows that the crystalline sample is single phase tetragonal structure with P4mm space group. The result revealed that Zr ion enters the unit cell maintaining the perovskite structure of BZT ceramics and the impedance spectroscopy of the sample performed in selected frequency and temperature range.

Keywords: ferroelectric, impedance spectroscopy, space group, tetragonal

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Authors: John-Nelson Ekumah, Selorm Yao-Say Solomon Adade, Mingming Zhong, Yufan Sun, Qiufang Liang, Muhammad Safiullah Virk, Xorlali Nunekpeku, Nana Adwoa Nkuma Johnson, Bridget Ama Kwadzokpui, Xiaofeng Ren

Abstract:

Enhancing starch gel strength and stability is crucial. However, traditional gel property assessment methods are destructive, time-consuming, and resource-intensive. Thus, understanding ethanol treatment effects on kudzu starch gel strength and developing a rapid, nondestructive gel strength assessment method is essential for optimizing the treatment process and ensuring product quality consistency. This study investigated the effects of different ethanol concentrations on the microstructure of kudzu starch gels using a comprehensive microstructural analysis. We also developed a nondestructive method for predicting gel strength and classifying treatment levels using near-infrared (NIR) spectroscopy, and advanced data analytics. Scanning electron microscopy revealed progressive network densification and pore collapse with increasing ethanol concentration, correlating with enhanced mechanical properties. NIR spectroscopy, combined with various variable selection methods (CARS, GA, and UVE) and modeling algorithms (PLS, SVM, and ELM), was employed to develop predictive models for gel strength. The UVE-SVM model demonstrated exceptional performance, with the highest R² values (Rc = 0.9786, Rp = 0.9688) and lowest error rates (RMSEC = 6.1340, RMSEP = 6.0283). Pattern recognition algorithms (PCA, LDA, and KNN) successfully classified gels based on ethanol treatment levels, achieving near-perfect accuracy. This integrated approach provided a multiscale perspective on ethanol-induced starch gel modification, from molecular interactions to macroscopic properties. Our findings demonstrate the potential of NIR spectroscopy, coupled with advanced data analysis, as a powerful tool for rapid, nondestructive quality assessment in starch gel production. This study contributes significantly to the understanding of starch modification processes and opens new avenues for research and industrial applications in food science, pharmaceuticals, and biomaterials.

Keywords: kudzu starch gel, near-infrared spectroscopy, gel strength prediction, support vector machine, pattern recognition algorithms, ethanol treatment

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