• Title/Summary/Keyword: 2D correlation spectroscopy

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Molecular and Structural Characterization of the Domain 2 of Hepatitis C Virus Non-structural Protein 5A

  • Liang, Yu;Kang, Cong Bao;Yoon, Ho Sup
    • Molecules and Cells
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    • v.22 no.1
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    • pp.13-20
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    • 2006
  • Hepatitis C virus (HCV) non-structural protein 5A protein (NS5A), which consists of three functional domains, is involved in regulating viral replication, interferon resistance, and apoptosis. Recently, the three-dimensional structure of the domain 1 was determined. However, currently the molecular basis for the domains 2 and 3 of HCV NS5A is yet to be defined. Toward this end, we expressed, purified the domain 2 of the NS5A (NS5A-D2), and then performed biochemical and structural studies. The purified domain 2 was active and was able to bind NS5B and PKR, biological partners of NS5A. The results from gel filtration, CD analysis, 1D $^1H$ NMR and 2D $^1H-^{15}N$ heteronuclear single quantum correlation (HSQC) spectroscopy indicate that the domain 2 of NS5A appears to be flexible and disordered.

NIRS APPLIED TO "PASTA FILATA" CHEESE ANALYSIS

  • Cattaneo, Tiziana M.P.;Maraboli, Adele;Giangiacomo, Roberto
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1519-1519
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    • 2001
  • The aim of this work was to test the feasibility of NIRS in analysing textural characteristics of “Pasta Filata” cheese during the shelf-life. For this purpose, 128 samples of “Pasta Filata” cheese, subdivided into two sets on the basis of the wax used to avoid mechanical damages (paraffin, biodegradable wax), were analysed by using an InfraAlyzer 500 (Bran+Luebbe). Analyses were performed at room temperature. Samples were cut into small cylinders (D=3.2 cm, height = 1 cm), in agreement with literature information. Data were processed by using Sesame Software (Bran+Luebbe). Samples were analysed, during the shelf-life, at 90 and 120 days. In parallel, textural characteristics were detected carrying out a compression method by using an Universal Testing Machine Instron model 4301 (Instron Corporation, Canton, Massachusetts). As compression probe was used a cylinder (D = 5.8 cm, height = 3.7 cm) and a speed rate of 20mm/min was applied. The load at 20 mm of compression was recorded on sample cylinders of 1.7 cm (D) by 2 cm (height). Qualitative analysis of full spectra showed the possibility to gather samples on the basis of the days of shelf-life. The textural characteristics of cheese during the shelf-life was evaluated by comparing NIRS data with rheological results. The best correlation was obtained applying MLR to the first derivative of normalized absorbance values at seven wavelengths. Load values were plotted against the NIR prediction values based on first derivatives. NIRS proved to be an useful tool in classifying samples on the basis of the shelf-life period as well as in predicting their textural characteristics ($R^2$= 0.916, SEC = 0.192, SEP = 0.248, SEV = 0.345).

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Li Ion Diffusivity and Rate Performance of the LiFePO4 Modified by Cr Doping

  • Park, Chang-Kyoo;Park, Sung-Bin;Shin, Ho-Chul;Cho, Won-Il;Jang, Ho
    • Bulletin of the Korean Chemical Society
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    • v.32 no.1
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    • pp.191-195
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    • 2011
  • This study reports the root cause of the improved rate performance of $LiFePO_4$ after Cr doping. By measuring the chemical diffusion coefficient of lithium ($D_{Li}$) using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS), the correlation between the electrochemical performance of $LiFePO_4$ and Li diffusion is acquired. The diffusion constants for $LiFePO_4$/C and $LiFe_{0.97}Cr_{0.03}PO_4$/C measured from CV are $2.48{\times}10^{-15}$ and $4.02{\times}10^{-15}cm^2s^{-1}$, respectively, indicating significant increases in diffusivity after the modification. The difference in diffusivity is also confirmed by EIS and the $D_{Li}$ values obtained as a function of the lithium content in the cathode. These results suggest that Cr doping facilitates Li ion diffusion during the charge-discharge cycles. The low diffusivity of the $LiFePO_4$/C leads to the considerable capacity decline at high discharge rates, while high diffusivity of the $LiFe_{0.97}Cr_{0.03}PO_4$/C maintains the initial capacity, even at high C-rates.

Vasorelaxation Study and Tri-Step Infrared Spectroscopy Analysis of Malaysian Local Herbs

  • Ch'ng, Yung Sing;Tan, Chu Shan;Loh, Yean Chun;Ahmad, Mariam;Asmawi, Mohd. Zaini;Yam, Mun Fei
    • Journal of Pharmacopuncture
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    • v.19 no.2
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    • pp.145-154
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    • 2016
  • Objectives: The aim of this paper is to investigate the activities of Malaysian local herbs (Clinacanthus nutans Lindau, Strobilanthes crispus, Murdannia bracteata, Elephantopus scaber Linn., Pereskia bleo, Pereskia grandifolia Haw., Vernonia amygdalina, and Swietenia macrophylla King) for anti-hypertensive and vasorelaxant activity. An infrared (IR) macro-fingerprinting technique consisting of conventional fourier transform IR (FTIR), second-derivative IR (SD-IR), and two-dimensional correlation IR (2D-correlation IR) analyses were used to determine the main constituents and the fingerprints of the Malaysian local herbs. Methods: The herbs were collected, ground into powder form, and then macerated by using three different solvents: distilled water, 50% ethanol, and 95% ethanol, respectively. The potentials of the extracts produced from these herbs for use as vasorelaxants were determined. Additionally, the fingerprints of these herbs were analyzed by using FTIR spectra, SD-IR spectra, and 2D-correlation IR spectra in order to identify their main constituents and to provide useful information for future pharmacodynamics studies. Results: Swietenia macrophylla King has the highest potential in terms of vasorelaxant activity, followed by Vernonia amygdalina, Pereskia bleo, Strobilanthes crispus, Elephantopus scaber Linn., Pereskia grandifolia Haw., Clinacanthus nutans Lindau, and Murdannia bracteata. The tri-step IR macro-fingerprint of the herbs revealed that most of them contained proteins. Pereskia bleo and Pereskia grandifolia Haw. were found to contain calcium oxalate while Swietenia macrophylla King was found to contain large amounts of flavonoids. Conclusion: The flavonoid content of the herbs affects their vasorelaxant activity, and the tri-step IR macro-fingerprint method can be used as an analytical tool to determine the activity of a herbal medicine in terms of its vasorelaxant effect.

Comparative Measurements and Characteristics of Cu Diffusion into Low-Dielectric Constant para-xylene based Plasma Polymer Thin Films

  • Kim, K.J.;Kim, K.S.;Jang, Y.C.;Lee, N.-E.;Choi, J.;Jung, D.
    • Journal of the Korean institute of surface engineering
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    • v.34 no.5
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    • pp.475-480
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    • 2001
  • Diffusion of Cu into the low-k para-xylene based plasma polymer (pXPP) thin films deposited by plasma-enhanced chemical vapor deposition using the para-xylene precursor was comparatively measured using various methods. Cu layer was deposited on the surfaces of pXPPs treated by $N_2$ plasma generated in a magnetically enhanced inductively coupled plasma reactor. Diffusion characteristics of Cu into pXPPs were measured using Rutherford backscattering spectroscopy (RBS), secondary ion mass spectroscopy (SIMS), cross-sectional transmission electron microscopy (XTEM), and current-voltage (I-V) measurements for the vacuum-annealed Cu/pXPPs for 1 hour at $450^{\circ}C$ and were compared. The results showed a correlation between the I-V measurement and SIMS data are correlated and have a sensitivity enough to evaluate the dielectric properties but the RBS or XTEM measurements are not sufficient to conclude the electrical properties of low-k dielectrics with Cu in the film bulk. The additional results indicate that the pXPP layers are quite resistant to Cu diffusion at the annealing temperature of $450^{\circ}C$ compared to the other previously reported organic low-k materials.

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Prediction of Glucose Concentration in a Glucose-Lactose Mixture Based on the Reflective Optical Power at Dual Probe Wavelengths

  • Gao, Song;Yue, Wenjing;Lee, Sang-Shin
    • Journal of the Optical Society of Korea
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    • v.20 no.1
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    • pp.199-203
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    • 2016
  • An enzyme-free optical method is proposed for estimating high concentrations of glucose in a glucose-lactose mixture, based on a predictive equation that takes advantage of the reflective optical power observed at two discrete wavelengths. Compared to the conventional absorption spectroscopy method based on Beer's Law, which is mainly valid for concentrations below hundreds of mg/dL, the proposed scheme, which relies on reflection signals, can be applied to measure higher glucose concentrations, of even several g/dL in a glucose-lactose mixture. Two probe wavelengths of 1160 and 1300 nm were selected to provide a linear relationship between the reflective power and pure glucose/lactose concentration, where the relevant linear coefficients were derived to complete the predictive equation. Glucose concentrations from 2 to 7 g/dL in a glucose-lactose mixture were efficiently estimated, using the established predictive equation based on monitored reflective powers. The standard error of prediction was 1.17 g/dL.

Synthesis of Alkoxy Modified Silicone Using Alkali Catalyst

  • Lee, Kangseok;Shim, Sang Eun
    • Elastomers and Composites
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    • v.51 no.2
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    • pp.99-105
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    • 2016
  • Alkoxy modified silicone (PAMS) was synthesized from hydroxyl-terminated polydimethylsiloxane (OH-PDMS) and vinyltrimethoxysilane (VTMO) under alkali catalyst (NaOH and KOH) at room temperature ($25^{\circ}C$) via condensation polymerization. Then, the structural verification of the synthesized PAMS was confirmed using $^1H$-NMR and FT-IR spectroscopy. The reaction rate of PAMSs was studied in terms of the concentration variation of alkali catalyst. The reaction rate increased with the concentration of alkali catalyst, but no correlation between conversion and concentration of alkali catalyst was observed.

Metal-insulator Transition in $(Sr_{0.75},\;La_{0.25})TiO_3$ Ultra-thin Films

  • Choi, Jae-Du;Choi, Eui-Young;Lee, Yun-Sang;Lee, Jai-Chan
    • Proceedings of the Materials Research Society of Korea Conference
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    • 2011.10a
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    • pp.19.2-19.2
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    • 2011
  • The $(Sr_{0.75},\;La_{0.25})TiO_3$ (SLTO) ultra-thin films with various thicknesses have been grown on Ti-O terminated $SrTiO_3$(100) substrate using Laser-Molecular Beam Epitaxy (Laser MBE). By monitoring the in-situ specular spot intensity oscillation of reflection high energy electron diffraction (RHEED), we controlled the layer-by-layer film growth. The film structure and topography were verified by atomic force microscopy (AFM) and high resolution thin film x-ray diffraction by the synchrotron x-ray radiation. We have also investigated the electronic band structure using x-ray absorption spectroscopy (XAS). The ultra thin SLTO film exhibits thickness driven metal-insulator transition around 8 unit cell thickness when the film thickness progressively reduced to 2 unit cell. The SLTO thin films with an insulating character showed band splitting in Ti $L_3-L_2$ edge XAS spectrum which is attributed to Ti 3d band splitting. This narrow d band splitting could drive the metal-insulator transition along with Anderson Localization. In optical conductivity, we have found the spectral weight transfer from coherent part to incoherent part when the film thickness was reduced. This result indicates the possibility of enhanced electron correlation in ultra thin films.

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Prediction of Trihalomethanes Formation Potential of Dissolved Organic Matter with Various Sources Using Differential Fluorescence 3D-Excitation-Emission Matrix (EEM) (차등 3차원 형광 여기-방출 매트릭스를 이용한 다양한 기원의 용존 유기물질 트리할로메탄 생성능 예측)

  • Bae, Kyung Rok;Hur, Jin
    • Journal of Korean Society on Water Environment
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    • v.38 no.2
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    • pp.63-71
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    • 2022
  • This study aimed to maximize the potential of fluorescence 3D excitation-emission matrix (EEM) for predicting the trihalomethane formation potential (THMFP) of DOM with various sources. Fluorescence spectroscopy is a useful tool for characterizing dissolved organic matter (DOM). In this study, differential spectroscopy was applied to EEM for the prediction of THMFP, in which the difference between the EEM before and after chlorination was taken into account to obtain the differential EEM (DEEM). For characterization of the original EEM or the DEEM, the maximum intensities of several different fluorescence regions in EEM, fluorescence EEM regional integration (FRI), and humification index (HIX) were calculated and used for the surrogates for THMFP prediction. After chlorination, the fluorescence intensity decreased by 77% to 93%. In leaf-derived and effluent DOM, there was a significant decrease in the protein-like peak, while a more pronounced decrease was observed in the humic-like peak of river DOM. In general, leaf-derived and effluent DOM exhibited a relatively lower THMFP than the river DOM. Our results were consistent with the high correlations between humic-like fluorescence and THMFP previously reported. In this study, HIX (r= 0.815, p<0.001), FRI region V (r=0.727, p<0.001), humic-like peak (r= 0.827, p<0.001) from DEEM presented very high correlations with THMF P. When the humic-like peak intensity was converted to a logarithmic scale, a higher correlation was obtained (r= 0.928, p<0.001). This finding suggests that the humic-like peak in DEEM can serve as a universal predictor for THM formation of DOM with various origins.

Theoretical and practical features of J-scaled distortion-free HSQC

  • Cha, Jin Wook;Park, Sunghyouk
    • Journal of the Korean Magnetic Resonance Society
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    • v.25 no.1
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    • pp.1-7
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    • 2021
  • Employing of 13C stable-isotopes in NMR metabolomics can give unique splitting patterns and coupling constants information originated from 13C-13C coupling interaction that provide an important structural information regarding the cellular metabolic process. But it has been known that an undesirable signal distortion in 2D heteronuclear correlation study, due to 13C-13C interaction, hampers an analysis of the coupling information. Recently, we proposed J-scaled distortion-free heteronuclear single-quantum coherence (HSQC) sequence which provides a distortion-free 13C-13C coupling information with a selective resolution enhancement of JCC splitting. In this paper, we dicuss theoretical aspect and practical feature of J-scaled HSQC pulse sequence. The conceptual explanation of orgin of the signal distortion by 13C-13C coupling interaction and design of J-scaled HSQC through exemplified results are provided in brief.