• 한국자기공명학회논문지
• /
• 제26권4호
• /
• pp.59-65
• /
• 2022

Benzo[a]pyrene (BaP), one of the polycyclic aromatic hydrocarbons (PAHs), is an endocrine disruptor and carcinogenic. This study was conducted to investigate the metabolic changes of zebrafish short-term exposure to BaP using nuclear magnetic resonance (NMR) spectroscopy. In our results, the multivariate analysis showed that the metabolic responses were differed according to the exposure concentration. Also, it was observed that exposure to high concentration of BaP (162 ㎍/L and 1620 ㎍/L) increased the levels of creatine, histidine, and inosine in zebrafish, which means high concentration of BaP exposure affected the energy metabolism and immune function in zebrafish.

• Natural Product Sciences
• /
• 제22권1호
• /
• pp.30-34
• /
• 2016

A simple and rapid method based on proton nuclear magnetic resonance spectroscopy was developed for determination of trans-anethole content in fennel essential oil. Spectra of pure trans-anethole, of the pure essential oil of fennel, and of the pure oil of fennel with thymol internal standard were recorded. The signal of $H-1^/$ was used for quantification of trans-anethole. This proton signal is well separated in the proton magnetic resonance spectrum of the compound. No reference compound is needed and cheap internal standard was used. The results obtained from spectroscopic analysis were compared with those obtained by gas chromatography. Additionally, the developed method was used for determination of the type of vegetable oil used as a carrier in commercial products, which cannot be quantified as such by gas chromatography. This study demonstrates the application of proton nuclear magnetic resonance spectroscopy as a quality control method for estimation of essential oil components.

• 한국축산식품학회지
• /
• 제41권2호
• /
• pp.312-323
• /
• 2021

The purpose of this study was to use 1H nuclear magnetic resonance (1H NMR) to quantify taste-active and bioactive compounds in chicken breasts and thighs from Korean native chicken (KNC) [newly developed KNCs (KNC-A, -C, and -D) and commercial KNC-H] and white-semi broiler (WSB) used in Samgye. Further, each breed was differentiated using multivariate analyses, including a machine learning algorithm designed to use metabolic information from each type of chicken obtained using 1H-13C heteronuclear single quantum coherence (2D NMR). Breast meat from KNC-D chickens were superior to those of conventional KNC-H and WSB chickens in terms of both taste-active and bioactive compounds. In the multivariate analysis, meat portions (breast and thigh) and chicken breeds (KNCs and WSB) could be clearly distinguished based on the outcomes of the principal component analysis and partial least square-discriminant analysis (R2=0.945; Q2=0.901). Based on this, we determined the receiver operating characteristic (ROC) curve for each of these components. AUC analysis identified 10 features which could be consistently applied to distinguish between all KNCs and WSB chickens in both breast (0.988) and thigh (1.000) meat without error. Here, both 1H NMR and 2D NMR could successfully quantify various target metabolites which could be used to distinguish between different chicken breeds based on their metabolic profile.

• Bulletin of the Korean Chemical Society
• /
• 제32권10호
• /
• pp.3644-3649
• /
• 2011

Multinuclear solid-state nuclear magnetic resonance (NMR) experiments were performed to investigate the local structure changes of nanoporous silica during hydrothermal treatment and surface modification with 3-aminopropyltriethoxysilane (3-APTES). The nanoporous silica was prepared by sol-gel polymerization using inexpensive sodium silicate as a silica precursor. Using $^1H$ magic angle spinning (MAS) NMR spectra, the hydroxyl groups, which play an important role in surface reactions, were probed. Various silicon sites such as $Q^2$, $Q^3$, $Q^4$, $T^2$, and $T^3$ were identified with $^{29}Si$ cross polarization (CP) MAS NMR spectra and quantified with $^{29}Si$ MAS NMR spectra. The results indicated that about 25% of the silica surface was modified. $^1H$ and $^{29}Si$ NMR data proved that the hydrothermal treatment induced dehydration and dehyroxylation. The $^{13}C$ CP MAS and $^1H$ MAS NMR spectra of 3-APTES attached on the surface of nanoporous silica revealed that the amines of the 3-aminopropyl groups were in the chemical state of ${NH_3}^+$ rather than $NH_2$.

• 지구물리와물리탐사
• /
• 제16권2호
• /
• pp.97-105
• /
• 2013

자기공명검층은 수소와 자기장의 상호작용을 측정, 분석하는 물리검층 방법으로 이는 저류층 평가를 위한 중요한 물리검층 방법 중 하나이다. 측정된 감쇠 신호 즉, 이완은 측정지역 내 수소의 밀도에 대한 정보와 유체의 종류에 따른 감쇠속도에 대한 정보를 포함하고 있으며, 이를 바탕으로 공극률, 투과도와 습윤도 등을 예측할 수 있다. 1950년대 초반 랜덤워크로 자기공명의 이완감쇠를 시뮬레이션한 것을 시작으로 자기공명반응에 대한 연구가 급격히 발전되었다. 이 논문에서는 자기공명 시뮬레이션의 연구 동향을 먼저 살펴 보고, 자기공명반응인 이완을 발생시키는 이완메커니즘에 대해 간단히 알아본다. 이에 기초하여 자기공명검층에서 주로 측정하는 횡축이완곡선을 자기장구배를 고려하는 경우와 고려하지 않는 시뮬레이션 방법에 대해 비교분석하고 자기장구배가 이완메커니즘 및 횡축이완곡선에 미치는 영향에 대해 분석한다.

• 한국자기공명학회논문지
• /
• 제10권1호
• /
• pp.74-88
• /
• 2006

Since the first commercial NMR spectrometer came out in 1953 from Varian, much of the hardware development has been improved and matured through commercial equipments. Many of magnetic resonance laboratories however still build and use home-built spectrometers, which are satisfactory even with the consideration of educational purpose only. The home-built NMR spectrometer could be further advantageous and could be often an only option for investigating new ideas with demanding experimental conditions or new hardware support. A solid state NMR spectrometer was designed with extra interest in stochastic experiment and built for an 8.93 T superconducting magnet from Oxford instrument. Super-heterodyned system was implemented for the transmitter and receiver parts. Intermediate frequency (IF) for the heterodyne system was chosen to 70 MHz for the first and the second channels, with additional 120 MHz for the third channel for maximum NMR frequency capability. We will show overall schematics, and discuss the designs with detailed diagrams, then demonstrate the applicability of home-built spectrometer with stochastic-excitation in solid state NMR and in applications to quadrupolar nuclear Spins.

• 한국자기공명학회논문지
• /
• 제15권1호
• /
• pp.54-68
• /
• 2011

$^1H$ nuclear magnetic resonance (NMR) spectroscopy of biological samples has been proven to be an effective and nondestructive approach to probe drug toxicity within an organism. In this study, ketoprofen toxicity was investigated using $^1H$-NMR spectroscopy coupled with multivariate statistical analysis. Histopathologic test of ketoprofen-induced acute gastrointestinal damage in rats demonstrated a significant dose-dependent effect. Furthermore, principal component analysis (PCA) derived from $^1H$-NMR spectra of urinary samples showed clear separation between the vehicle-treated control and ketoprofen-treated groups. Moreover, PCA derived from endogenous metabolite concentrations through targeted profiling revealed a dose-dependent metabolic shift between the vehicle-treated control, low-dose ketoprofen-treated (10 mg/kg body weight), and high-dose ketoprofen-treated (50 mg/kg) groups coinciding with their gastric damage scores after ketoprofen administration. The resultant metabolic profiles demonstrated that the ketoprofen-induced gastric damage exhibited energy metabolism perturbations that increased urinary levels of citrate, cis-aconitate, succinate, and phosphocreatine. In addition, ketoprofen administration induced an enhancement of xenobiotic activity in fatty oxidation, which caused increase levels of N-isovalerylglycine, adipate, phenylacetylglycine, dimethylamine, betaine, hippurate, 3-indoxylsulfate, N,N-dimethylglycine, trimethyl-N-oxide, and glycine. These findings demonstrate that $^1H$-NMR-based urinary metabolic profiling can be used for noninvasive and rapid way to diagnose adverse drug effects and is suitable for explaining the possible biological pathways perturbed by nonsteroidal anti-inflammatory drug toxicity.

• 한국자기공명학회논문지
• /
• 제28권1호
• /
• pp.1-5
• /
• 2024

IscU, the iron-sulfur (Fe-S) cluster scaffold protein, is an essential protein for biogenesis of Fe-S clusters. Previous studies showed that IscU manifests a metamorphic structural feature; at least two structural states, namely the structured state (S-state) and the disordered state (D-state), interconverting in a physiological condition, was observed. Moreover, subsequent studies demonstrated that the metamorphic flexibility of IscU is important for its Fe-S cluster assembly activity as well as for an efficient interaction with various partner proteins. Although solution nuclear magnetic resonance (NMR) spectroscopy has been a useful tool to investigate this protein, the detailed molecular mechanism that sustains the structural heterogeneity of IscU is still unclear. To tackle this issue, we applied a high-pressure NMR (HP-NMR) technique to the IscU variant, IscU(I8K), which shows an increased population of the S-state. We found that the equilibrium between the S- and D-state was significantly perturbed by pressure application, and the specific regions of IscU exhibited more sensitivity to pressure than the other regions. Our results provide novel insights to appreciate the dynamic behaviors of IscU and the related versatile functionality.

• 한국자기공명학회논문지
• /
• 제23권1호
• /
• pp.6-11
• /
• 2019

Parahydrogen induced hyperpolarization (PHIP) technique is extensively studied to increase the sensitivity of the conventional NMR spectroscopy and recently try to apply this advanced technique into the revolutionary future of the MRI. The other hyperpolarization technique, which is widely utilized, is DNP (Dynamic Nuclear Polarization)-based hyperpolarization one. Despite its great advances in these fields, it contains several drawbacks to overcome: fast relaxation time, expensive equipment is needed, long build-up time is required (several hours), and batch scale material is hyperpolarized. To overcome all those limitations, one can effectively harness the hyperpolarized spin state of parahydrogen. One important step for utilizing the spin state of parahydrogen is doing well-developed experiments of ALTADENA and PASADENA. Based on those concepts, we successfully obtain the hydrogenation signals of ALTADENA and PASADENA from styrene by using benchtop NMR spectrometer. Also those signals were conceptually analyzed and confirmed with different mechanisms. To our best knowledge, those experiments using 1.4T (benchtop NMR) is the first reported one. Considering these experiments, we hope that parahydrogen-based hyperpolarization transfer studies in NMR/MRI will be broadened in Korea in the future.

• 한국자기공명학회논문지
• /
• 제20권1호
• /
• pp.1-6
• /
• 2016

The proton NMR line widths and spin-lattice relaxation rates, $T_1^{-1}$, of ferroelectric $LiH_3(SeO_3)_2$, $Li_2SO_4{\cdot}H_2O$, and $LiN_2H_5SO_4$ single crystals were measured as a function of temperature. The line width measurements reveal rigid lattice behavior of all the crystals at low temperatures and line narrowing due to molecular motion at higher temperatures. The temperature dependences of the proton $T_1^{-1}$ for these crystals exhibit maxima, which are attributed to the effects of molecular motion by the Bloembergen - Purcell - Pound theory. The activation energies for the molecular motions of $^1H$ in these crystals were obtained. From these analysis, $^1H$ in $LiH_3(SeO_3)_2$ undergoes molecular motion more easily than $^1H$ in $LiN_2H_5SO_4$ and $Li_2SO_4{\cdot}H_2O$ crystals.