• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1156-1156
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• 2001

This work aimed to prove the feasibility of NIR spectroscopy to detect vegetable protein isolates (soy, pea and wheat) in milk powder. Two hundred and thirty-nine samples of genuine and adulterated milk powder (NIZO, Ede, NL) were analysed by NIRS using an InfraAlyzer 500 (Bran+Luebbe). NIR spectra were collected at room temperature, and data were processed by using Sesame Software (Bran+Luebbe). Separated calibrations for each non-milk protein added, in the range of 0-5%, were calculated. NIR data were processed by using Sesame Software (Bran+Luebbe). Prediction and validation were made by using a set of samples not included into the calibration set. The best calibrations were obtained by the PLSR. The type of data pre-treatment (normalisation, 1$\^$st/ derivative, etc..) was chosen to optimize the calibration parameters. NIRS technique was able to predict with good accuracy the percentage of each vegetable protein added to milk powder (soy: R$^2$ 0.994, SEE 0.193, SEcv 0.301, RMSEPall 0.148; pea: R$^2$ 0.997, SEE 0.1498, SEcv 0.207, RMSEPall 0.148, wheat: R$^2$ 0.997, SEE 0.1418, SEcv 0.335, RMSEPall 0.149). Prediction results were compared to those obtained using other two techniques: capillary electrophoresis and competitive ELISA. On the basis of the known true values of non-vegetable protein contents, the NIRS was able to determine more accurately than the other two techniques the percentage of adulteration in the analysed samples.

• Journal of Electrochemical Science and Technology
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• v.10 no.1
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• pp.37-54
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• 2019

A new organic Schiff base compound N-benzylidene-2,5-dichloroaniline (BDC) was synthesized and the structure of the Schiff base is illuminated by some spectroscopic techniques. In addition, whether it is an applicable inhibitor in the industrial field was examined by conventional methods such as linear polarization resistance (LPR), electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization for different concentrations. The BDC concentration and temperature effects were surveyed for elucidating the inhibitive mechanism. The BDC molecules are adsorbed to surface of mild steel via the Langmuir isotherm. Atomic force (AFM) and scanning electron microscope (SEM) techniques were utilized to give insight into surface characterization.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.4101-4101
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• 2001

Information of body composition (fat and protein) in living animal is important to determine the nutrients requirement. Deuterium oxide (D2O) dilution techniques, as one of isotope dilution techniques have been useful for the prediction of body composition. However, the determination of D2O concentration is time consuming and complicated. Therefore this study was conducted to develop a new method to predict D2O concentration in plasma using near infrared spectroscopy technique (NIRS). Four dairy cows in early lactation were used. They were fed total mixed ration containing conr silage, timothy hay, and concentrates to make 17.0%CP and 14.0 MJDE/kgDM. Dosing D2O was at week 1,3 and 5 after parturition. After dosing D2O, the blood was collected from hour 0 to 72. Blood samples were then centrifuge at 3,000 rpm for 10 minutes to obtain plasma. D2O concentration was analyzed by gas chromatograph (deuterium oxide analyzable system, HK102, Shokotsusyou) after extracted from plasma by liophilization. Plasma sample was scanned by NIRS using Pacific Scientific (Neotec) model 6500 (Perstorp Analytical, Silver Spring, MD) in the range of wavelength from 1100 to 2500 nm. Calibration equation was developed using multiple linear regression. Sample from one animal (cow #550; n: 74) was used for developing the calibration while the rest three animals were used for validating the equation. The range, R and SEC of the calibration set samples were 135-925 ppm, 0.93 and 48.1 ppm, respectively. Validation of the calibration equation for three individual cows was done and the average of NIR predicted value of D2O at each collection time from three weeks injection showed a high correlation. The range, r and 53 of plasma from cow #474 were 322-840 ppm,0.93 and 53.1; cow #478 were 146-951 ppm,0.95 and 39.8; cow #942 were 313-885 ppm,0.95 and 37.2, respectively. Judgement of accuracy based on ratio of standard deviation and standard error in validation set samples (RPD) for cow #474, #478 and #942 were 2.2,4.3 and 3.4, respectively. The error in application due to the variation between individual was considered smaller than the bias from collection period, however, this prediction can be overcome with correction of standard zero-minute concentration of blood. The results of this preliminary study on the use of NIRS for determination of D2O in plasma showed very promising as shown by a convenient and satisfy accuracy. Further study on various physiological stage of animal should be done.

• Proceedings of the Materials Research Society of Korea Conference
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• 2012.05a
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• pp.68.1-68.1
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• 2012

The best part of graphene is - charge-carriers in it are mass less particles which move in near relativistic speeds. Comparing to other materials, electrons in graphene travel much faster - at speeds of $10^8cm/s$. A graphene sheet is pure enough to ensure that electrons can travel a fair distance before colliding. Electronic devices few nanometers long that would be able to transmit charge at breath taking speeds for a fraction of power compared to present day CMOS transistors. Many researches try to check a possibility to make it a perfect replacement for silicon based devices. Graphene has shown high potential to be used as interconnects in the field of high frequency electrical devices. With all those advantages of graphene, we demonstrate characteristics of electrical and optical properties of graphene such as the effect of graphene geometry on the microwave properties using the measurements of S-parameter in range of 500 MHz - 40 GHz at room temperature condition. We confirm that impedance and resistance decrease with increasing the number of graphene layer and w/L ratio. This result shows proper geometry of graphene to be used as high frequency interconnects. This study also presents the optical properties of graphene oxide (GO), which were deposited in different substrate, or influenced by oxygen plasma, were confirmed using different characterization techniques. 4-6 layers of the polycrystalline GO layers, which were confirmed by High resolution transmission electron microscopy (HRTEM) and electron diffraction analysis, were shown short range order of crystallization by the substrate as well as interlayer effect with an increase in interplanar spacing, which can be attributed to the presence of oxygen functional groups on its layers. X-ray photoelectron Spectroscopy (XPS) and Raman spectroscopy confirms the presence of the $sp^2$ and $sp^3$ hybridization due to the disordered crystal structures of the carbon atoms results from oxidation, and Fourier Transform Infrared spectroscopy (FTIR) and XPS analysis shows the changes in oxygen functional groups with nature of substrate. Moreover, the photoluminescent (PL) peak emission wavelength varies with substrate and the broad energy level distribution produces excitation dependent PL emission in a broad wavelength ranging from 400 to 650 nm. The structural and optical properties of oxygen plasma treated GO films for possible optoelectronic applications were also investigated using various characterization techniques. HRTEM and electron diffraction analysis confirmed that the oxygen plasma treatment results short range order crystallization in GO films with an increase in interplanar spacing, which can be attributed to the presence of oxygen functional groups. In addition, Electron energy loss spectroscopy (EELS) and Raman spectroscopy confirms the presence of the $sp^2$ and $sp^3$ hybridization due to the disordered crystal structures of the carbon atoms results from oxidation and XPS analysis shows that epoxy pairs convert to more stable C=O and O-C=O groups with oxygen plasma treatment. The broad energy level distribution resulting from the broad size distribution of the $sp^2$ clusters produces excitation dependent PL emission in a broad wavelength range from 400 to 650 nm. Our results suggest that substrate influenced, or oxygen treatment GO has higher potential for future optoelectronic devices by its various optical properties and visible PL emission.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.4112-4112
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• 2001

The feasibility of NIR spectroscopy as a quick and nondestructive method for quality control of uniformity of coating thickness of pharmaceutical tablets was investigated. Near infrared spectra of a set of pharmaceutical tablets with varying coating thickness were measured with a diffuse reflectance fiber optic probe connected to a Broker IFS 28/N FT-NIR spectrometer. The challenging issues encountered in this study included: 1. The similarity of the formulation of the core and coating materials, 2. The lack of sufficient calibration samples and 3. The non-linear relationship between the NIR spectral intensity and coating: thickness. A peak at 7184 $cm^{-1}$ was identified that differed for the coating material and the core material when M spectra were collected at 2 $cm^{-1}$ resolution (0.4 nm at 7184 $cm^{-1}$). The study showed that the coating thickness can be analyzed by polynomial fitting of the peak area of the selected peak, while least squares calibration of the same data failed due to the lack of availability of sufficient calibration samples. Samples of coal powder and solid pieces of coal were analyzed by FT-NIR diffuse reflectance spectroscopy with the goal of predicting their ash content, percentage of volatile components, and energy content. The measurements were performed on a Broker Vector 22N spectrometer with a fiber optic probe. A partial least squares model was constructed for each of the parameters of interest for solid and powdered sample forms separately. Calibration models varied in size from 4 to 10 PLS ranks. Correlation coefficients for these models ranged from 86.6 to 95.0%, with root-mean-square errors of cross validation comparable to the corresponding reference measurement methods. The use of FT-NIR diffuse reflectance measurement techniques was found to be a significant improvement over existing measurement methodologies in terms of speed and ease of use, while maintaining the desired accuracy for all parameters and sample forms.(Figure Omitted).

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.3111-3111
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• 2001

The implementation of NIR and chemometrics in the Pharmaceutical industries is still in strong progress, both regarding qualitative and quantitative applications and beneficial results are seen. Looking at the development so far, NIR will change the pharmaceutical industry even more in the future. This presentation will address the experiences and progress achieved regarding the application and implementation of quantitative methods for determination of content uniformity and assay of tablets with less than 10% w/w of active, using Near Infrared transmittance spectroscopy in combination with PLS. Also qualitative methods for identification of the same tablets by Near Infrared reflectance spectroscopy will be discussed. Four commercial tablet strengths are formulated and produced from two different compositions by direct compression. Three different strengths are dose proportional, i.e. fixed concentration by varying in size. The aim was to replace the conventional primary methods for analysing content uniformity, assay and identification by NIR. Studies were performed on comparing transmittance versus reflectance spectroscopy for both applications on the dose proportional tablets. The model for determination of content uniformity and assay was developed to cover both coated and uncoated tablets, whereas the qualitative model was developed to identify coated tablets only. The impact of the tablet formulation, tablet size and coating, resulted in individual models far each composition The best calibration was achieved using diffuse reflectance for the identification purposes and diffuse transmittance for the quantitative determination of the active content within the tablets. As NIR in combination with other techniques opens up the possibility of total quality management within the production, the transfer of the above-mentioned models from a laboratory based approach to an at-line approach at H.Lundbeck will be addressed too.

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1258-1258
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• 2001

Estimation of sugar and reducing sugar content in molasses is very important task in sugar refineries. Conventional methods of determination of sugar content in molasses samples are highly time consuming and employ hazardous chemicals. Due to the physical properties of molasses, probability of error in conventional analytical techniques is high. These methods have proven to be inefficient for a process control in any sugar industry. Hence development of a rapid, inexpensive, physical and also accurate method for sugar determination in molasses will be highly useful. Near Infrared spectroscopy is being widely used worldwide as an analytical technique in food industry. The technique offers the advantage of being non-destructive and rapid. The present paper highlights the potential of near infrared reflectance spectroscopy as a rapid and automated analytical technique for determination of sugar and reducing sugar content in molasses. A number of molasses samples were collected during and after the sugar season from Havana Sugar Industry, Havana. The samples were chosen so as to obtain a wide range of concentration of sugar and reducing sugars. This was done in order to achieve a good calibration curve with widely spread data points. These samples were scanned in the region of 1100 - 2500 nm in diffuse reflectance mode. An indigenous ELICO NIR spectrophotometer, modified according to the requirements of sugar industry was used for this purpose. Each sample was also analyzed simultaneously by standard chemical methods. Chemical values were taken as reference for near infrared analysis. In order to obtain the most accurate calibration for the set of samples, various mathematical treatments were employed. Partial Least Square method was found to be most suitable for the analysis. A comparison is made between the actual values (chemical values) and the predicted values (NIR values). The actual values agree very well with the predicted values showing the accuracy of the technique. The validity of the technique is checked by predicting the concentration of sugar in unknown molasses samples using the calibration curve. The present investigation assesses the feasibility of the technique for on-line monitoring of sugars present in molasses in sugar industries.

• Journal of Biosystems Engineering
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• v.43 no.3
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• pp.219-228
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• 2018

Purpose: This study evaluated the feasibility of a near-infrared spectroscopy technique for the rancidity prediction of soybean oil. Methods: A near-infrared spectroscopy technique was used to evaluate the rancidity of soybean oils which were artificially deteriorated. A soybean oil sample was collected, and the acid values were measured using titrimetric analysis. In addition, the transmission spectra of the samples were obtained for whole test periods. The prediction model for the acid value was constructed by using a partial least-squares regression (PLSR) technique and the appropriate spectrum preprocessing methods. Furthermore, optimal wavelength selection methods such as variable importance in projection (VIP) and bootstrap of beta coefficients were applied to select the most appropriate variables from the preprocessed spectra. Results: There were significantly different increases in the acid values from the sixth days onwards during the 14-day test period. In addition, it was observed that the NIR spectra that exhibited intense absorption at 1,195 nm and 1,410 nm could indicate the degradation of soybean oil. The PLSR model developed using the Savitzky-Golay $2^{nd}$ order derivative method for preprocessing exhibited the highest performance in predicting the acid value of soybean oil samples. onclusions: The study helped establish the feasibility of predicting the rancidity of the soybean oil (using its acid value) by means of a NIR spectroscopy together with optimal variable selection methods successfully. The experimental results suggested that the wavelengths of 1,150 nm and 1,450 nm, which were highly correlated with the largest absorption by the second and first overtone of the C-H, O-H stretch vibrational transition, were caused by the deterioration of soybean oil.

• Current Optics and Photonics
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• v.1 no.4
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• pp.412-420
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• 2017

Multinucleated bone resorptive osteoclasts differentiate from bone marrow-derived monocyte/macrophage precursor cells. During osteoclast differentiation, mononuclear pre-osteoclasts change their morphology and biochemical characteristics. In this study, Raman spectroscopy with multivariate techniques such as Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used to extract biochemical information related to various cellular events during osteoclastogenesis. This technique allowed for label-free and noninvasive monitoring of differentiating cells, and clearly discriminated four different time points during osteoclast differentiation. The Raman band intensity showed significant time-dependent changes that increased up to day 4. The results of Raman spectroscopy agreed with results from atomic force microscopy (AFM) and tartrate-resistant acid phosphatase (TRAP) staining, a conventional biological assay. Under AFM, normal spindle-like mononuclear pre-osteoclasts became round and smaller at day 2 after treatment with a receptor activator of nuclear $factor-{\kappa}B$ ligand and they formed multinucleated giant cells at day 4. Thus, Raman spectroscopy, in combination with PCA-LDA, may be useful for noninvasive label-free quality assessment of cell status during osteoclast differentiation, enabling more efficient optimization of the bioprocesses.

• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2413-2418
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• 2013

Forensic and legal medicine require reliable data to indicate excessive alcohol consumption. Ethanol is oxidatively metabolized to acetate by alcohol dehydrogenase and non-oxidatively metabolized to ethyl glucuronide (EtG), ethyl sulfate (EtS), phosphatidylethanol, or fatty acid ethyl esters (FAEE). Oxidative metabolism is too rapid to provide biomarkers for the detection of ethanol ingestion. However, the non-oxidative metabolite EtG is a useful biomarker because it is stable, non-volatile, water soluble, highly sensitive, and is detected in body fluid, hair, and tissues. EtG analysis methods such as mass spectroscopy, chromatography, or enzyme-linked immunosorbent assay techniques are currently in use. We suggest that nuclear magnetic resonance (NMR) spectroscopy could be used to monitor ethanol intake. As with current conventional methods, NMR spectroscopy doesn't require complicated pretreatments or sample separation. This method has the advantages of short acquisition time, simple sample preparation, reproducibility, and accuracy. In addition, all proton-containing compounds can be detected. In this study, we performed $^1H$ NMR analyses of urine to monitor the ethanol and EtG. Urinary samples were collected over time from 5 male volunteers. We confirmed that ethanol and EtG signals could be detected with NMR spectroscopy. Ethanol signals increased immediately upon alcohol intake, but decreased sharply over time. In contrast, EtG signal increased and reached a maximum about 9 h later, after which the EtG signal decreased gradually and remained detectable after 20-25 h. Based on these results, we suggest that $^1H$ NMR spectroscopy may be used to identify ethanol non-oxidative metabolites without the need for sample pretreatment.