• Title/Summary/Keyword: $^1H$ spectroscopy

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Rancidity Prediction of Soybean Oil by Using Near-Infrared Spectroscopy Techniques

  • Hong, Suk-Ju;Lee, Ah-Yeong;Han, Yun-hyeok;Park, Jongmin;So, Jung Duck;Kim, Ghiseok
    • 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.

Evaluations of Inhomogeneous Shimming in $^1$H MR Spectroscopy (자기공명분광에서 비균질 자장보정에 관한 평가)

  • Choe, Bo-Young;Baik, Hyeon-Man;Suh, Tae-Suk;Lee, Hyoung-Koo;Chun, Heung-Jae;Shim, Kyung-Sub
    • Progress in Medical Physics
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    • v.11 no.1
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    • pp.73-83
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    • 2000
  • In this study, we investigate the effects of poor shimming on quantitative measurement of ratios of metabolite levels by proton magnetic resonance spectroscopy ($^1$H MRS). Coefficient of variation (COV) of metabolite ratios for point resolved spectroscopy (PRESS) and stimulated-echo acquisition mode (STEAM) spectra was evaluated from a phantom containing in vivo levels of metabolites using a conventional whole body 1.5T MR system and conventional acquisition and analysis protocol. A statistical P-value was also calculated from a linear regression for relationship of metabolite ratios. N-acetylaspartate (NAA)/ creatine (Cr) and NAA/ choline (Cho) had low COV values for the long and short TE spectra (29.1 and 27.5%; 23.8 and 12.6 %), whereas Cho/Cr and Cr/Cho had high COV values (50.0 and 68.6 %; 27.5 and 29.3 %). A linear relationship between NAA/Cr and Cho/Cr, and between NAA/Cho and Cr/Cho revealed the statistical significance in the long and short TE spectra, respectively (P < 0.0001 and P < 0.0001; P = 0.015 and P = 0.005). There was no significant relationship between Cho/NAA and Cr/NAA in the measurement (P = 0.159; P = 0.910). The present study suggested that NAA/Cr and NAA/Cho could be useful for data with poor shimming in $^1$H MR spectroscopy. In conclusion, statistical significance of metabolite ratios indicated that the Cr and Cho levels could be interpreted as a significant alteration factor in the long and short TE spectra, and then should be used with care to provide precise metabolite quantification.

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Pitfall in calibration development - "chance correlation + wishful thinking" - an example of pH determination in grass silages

  • Tillmann, Peter;Horst, Hartmut
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1275-1275
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    • 2001
  • The pH value of grass silages is one important parameter to determine the quality of the forages. In an attempt to use NIRS spectra taken for other quality parameter of grass silage it has been shown that a good correlation between NIR spectra of the dried forage and pH value of the fresh forage could be determined. Further investigations revealed that the B coefficients of the pH value calibration were almost the same as the B coefficients of the sugar calibration multiplied with -1. And indead the pH value - in the fresh sample material - of the calibration set is strongly correlated with the sugar concentration - in the dried sample material. It is concluded that next to scientific tools in research the scientist and the user of NTRS equippment has to scrutinze his own work. Examples are given. NIRS is a powerfull technique, but pitfalls are present in surplus.

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Synthesis of diamond thin films from $H_2-CH_4$ gas mixture by rf PACVD (고주파 플라즈마 CVD에 의한 $H_2-CH_4$ 계로부터 다이아몬드 박막의 합성)

  • Lee, Sang-Hee;Klm, Dae-Il;Park, Sang-Hyun;Kim, Bo-Youl;Lee, Jong-Tae;Woo, Ho-Whan;Han, Sang-Ok;Lee, Duck-Chool
    • Proceedings of the KIEE Conference
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    • 1998.07d
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    • pp.1514-1515
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    • 1998
  • Diamond thin films were deposited on n-type (100) Si wafers from $H_2-CH_4$ gas mixture by rf PACVD. Prior to deposition, mechanical scratching was done to improve density of nucleation sites with diamond paste of 3${\mu}m$. The microstructure of deposited diamond thin films was studied by using the following conditions : discharge power of 500W, $H_2$ flow rate of 50sccm, reaction pressure of 20torr, and $CH_4/H_2$ ratio of 0.3$\sim$1%. The deposited diamond thin films showed that the crystallite was increased at the lower methane concentration. The deposited thin films were characterized by Scanning Electron Microscopy. Raman Spectroscopy and Fourier-Transform Infrared Spectroscopy.

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Change of Heating Value, pH and FT-IR Spectra of Charcoal at Different Carbonization Temperatures

  • Kwon, Sung-Min;Jang, Jae-Hyuk;Lee, Seung-Hwan;Park, Sang-Bum;Kim, Nam-Hun
    • Journal of the Korean Wood Science and Technology
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    • v.41 no.5
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    • pp.440-446
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    • 2013
  • To understand transition characteristics from wood to charcoal, Quercus variabilis wood was carbonized at 200, 250, 300, 340, 540 and $740^{\circ}C$, respectively. Heating value, pH and surface property by FT-IR spectroscopy of the carbonized charcoal were investigated. Heating value and pH increased with increasing carbonization temperature from 4500 cal/g and 4.3 of the control wood to 8,000 cal/g and 9 of the charcoal carbonized at $740^{\circ}C$, respectively. From FT-IR spectroscopy, the peaks from O-H, C-H and C-O stretching disappeared during carbonization at 540 and $740^{\circ}C$. Aromatic skeletal vibration at near $1,506{\sim}1,593cm^{-1}$ was repidly increased until $540^{\circ}C$. These results suggest that the chemical and physical characteristics of wood components in cell wall can be easily changed by increasing carbonization temperature and the carbonization seem to be incomplete at temperature below $540^{\circ}C$.

Effect of Ni Addition on ATiO3 (A = Ca, Sr, Ba) Perovskite Photocatalyst for Hydrogen Production from Methanol Photolysis (메탄올 광분해 수소제조를 위한 ATiO3 (A = Ca, Sr, Ba) Perovskite 광촉매의 Ni 첨가 영향)

  • Kwak, Byeong Sub;Park, No-Kuk;Lee, Tae Jin;Lee, Sang Tae;Kang, Misook
    • Clean Technology
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    • v.23 no.1
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    • pp.95-103
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    • 2017
  • In this study, $ATiO_3$ (A = Ca, Sr, Ba) perovskite, which is the widely known for non $TiO_2$ photocatalysts, were synthesized using sol-gel method. And Ni was added at the A site of $ATiO_3$ by using that it is easy to incorporate. The physicochemical characteristics of the obtained $ATiO_3$ and Ni-$ATiO_3$ particles were confirmed using the X-ray diffraction (XRD) UV-visible spectroscopy, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), the $N_2$ adsorption-desorption isotherm measurement, and X-ray photoelectron spectroscopy (XPS). The $H_2$ was produced using the photolysis of MeOH. Using the Ni-$ATiO_3$ photocatalysts, $H_2$ production was higher than using the $ATiO_3$ photocatalysts. Especially, $273.84mmolg^{-1}$ $H_2$ was produced after 24 h reaction over the Ni-$SrTiO_3$. Also in the water (0.1 M KOH) with the Ni-$SrTiO_3$, $H_2$ production was $961.51mmolg^{-1}$ after 24 h reaction.

Ex Vivo ${1}^H$ MR Spectroscopy: Normal gastric and cancer tissue (정상 위 조직과 위암 조직의 시험관 내 수소자기공명분광)

  • Cho Ji Youn;Shin Oon Jae;Choi Ki Seung;Kim Su Hyun;Eun Choong Ki;Yang Young Il;Lee Jung Hee;Mun Chi Woong
    • Journal of Gastric Cancer
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    • v.3 no.3
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    • pp.151-157
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    • 2003
  • Purpose: In this study, we attempted to ascertain the proton magnetic resonance spectroscopy (${1}^H$ MRS) peak characteristics of human gastric tissue layers and finally to use the metabolic peaks of MRS to distinguish between normal and abnormal gastric specimens. Materials and Methods: Ex-vivo ${1}^H$ MRS examinations of thirty-five gastric specimens were performed to distinguish abnormal gastric tissues invaded by carcinoma cells from normal stomach-wall tissues. High-resolution 400-MHz (9.4-T) ${1}^H$ nuclear magnetic resonance (NMR) spectra of two gastric layers, a proper muscle layer, and a composite mucosasubmucosa layer were compared with those of clinical 64- MHz (1.5-T) MR spectra. Three-dimensional spoiled gradient recalled (SPGR) images were used to determine the size and the position of a voxel for MRS data collection. Results: For normal gastric tissue layers, the metabolite peaks of 400-MHz ${1}^H$ MRS were primarily found to be as follows: lipids at 0.9 ppm and 1.3 ppm; alanine at 1.58 ppm; N-acetyl neuraminic acid (sialic acid) at 2.03 ppm; and glutathione at 2.25 ppm in common. The broad and featureless featureless spectral peaks of the 64-MHz MRS were bunched near 0.9, 1.3, and 2.0, and 2.2 ppm in human specimens without respect to layers. In a specimen (Borrmmann type III) with a tubular adenocarcinoma, the resonance peaks were measured at 1.26, 1.36 and 3.22 ppm. All the peak intensities of the spectrum of the normal gastric tissue were reduced, but for gastric tumor tissue layers, the lactate peak split into 1.26 and 1.39 ppm, and the peak intensity of choline at 3.21 ppm was increased. Conclusion: We found that decreasing lipids, an increasing lactate peak that split into two peaks, 1.26 ppm and 1.36 ppm, and an increasing choline peak at 3.22 ppm were markers of tumor invasion into the gastric tissue layers. This study implies that MR spectroscopy can be a useful diagnostic tool for gastric cancer.

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$\pi$-Participation in Bicyclo [3.2.1]oct-6-en-2-yl Cation. $^{19}F$ NMR Spectroscopy as a Probe

  • Chae Jong-Kun;Shin Jung-Hyu
    • Bulletin of the Korean Chemical Society
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    • v.15 no.1
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    • pp.12-14
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    • 1994
  • p-Fluorophenyl bicyclo[3.2.l]oct-6-en-2-yl cation (3) prepared in $FSO_3H-SO_2-CIF$ solution at -90$^{\circ}$C and examined by fluorine-19 nmr spectroscopy. The nmr data give a clear evidence for the formation of a stabilized ${\pi}$-bridging cation species in superacids. The degree of ${\pi}$delocalization in this cation is found to be inferior to the onset of nonclassical stabilization in 2-norbornenyl cation.

Preparation of polymeric nanoparticles from hydrophobically modified pullulan for hydrophobic drug carrier

  • Kim, In-Sook;Kim, Sung-Ho
    • Proceedings of the PSK Conference
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    • 2002.10a
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    • pp.409.1-409.1
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    • 2002
  • For the development of a biocompatible nano-scale drug carrier. hydrophilic polysaccharide pullulan was hydrophobized by the conjugation with fatty acid. The synthesized polymers were characterized by the measurements of fourier transform infrared (FT -IR) spectroscopy and 1H -nuclear magnetic resonance (NMR) spectroscopy. In aqueous solution. hydrophobically modified puliulan was self-assembled and structured into the core-shell type nanoparticles. (omitted)

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Preparation of Surface Functionalized Gold Nanoparticles and their Lateral Flow Immunoassay Applications (표면 개질된 금나노입자의 제조 및 이의 측방유동면역 센서 응용)

  • Kim, Dong Seok;Choi, Bong Gill
    • Applied Chemistry for Engineering
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    • v.29 no.1
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    • pp.97-102
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    • 2018
  • In this work, the surface of gold nanoparticles (AuNPs) was modified with small molecules including mercaptoundecanoic acid (MUA) and L-lysine for the development of highly sensitive lateral flow (LF) sensors. Uniformly sized AuNps were synthesized by a modified Turkevich-Frens method, showing an average size of $16.7{\pm}2.1nm$. Functionalized AuNPs were then characterized by transmission electron microscopy, UV-vis spectroscopy, X-ray photoelectron spectroscopy, and Fourier transform infrared spectroscopy. The stable conjugation of AuNPs and antibodies was obtained at pH 7.07 and the antibody concentration of $10{\mu}g/mL$. The functionalized AuNP-based LF sensor exhibited lower detection limit of 10 ng/mL for hepatitis B surface antigens than that of using the bare AuNP-based LF sensor (100 ng/mL).