• Journal of the Korean Magnetics Society
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• v.21 no.4
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• pp.127-131
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• 2011

In this paper, we study the electronic and magnetic properties of Cr substituted SiTe in the rock-salt structure compound using the full potential linearized augmented plane wave method within the generalized gradient approximation to the exchange correlation potential. Two stoichiometries are studied: $CrSi_3Te_4$ with 25 %, and $CrSiTe_2$ with 50 % Cr substitution. We found, from the total energy calculations, that the equilibrium lattice constant for cubic $CrSi_3Te_4$ is 11.64 a.u. and a = 7.89 a.u. and c = 11.13 a.u. for tetragonal $CrSiTe_2$. The integer value of the calculated magnetic moment per unit cell, $4{\mu}_B$ for $CrSiTe_2$ suggests that this compound is halfmetallic. The magnetic moment per unit cell for $CrSi_3Te_4$ is slightly larger than $4{\mu}_B$. The magnetic moment on Cr atoms are 3.61 and $3.62{\mu}_B$ in the $CrSi_3Te_4$ and $CrSiTe_2$, respectively. The presence of Cr atoms causes that the other atoms become slightly magnetized in both compounds. The electronic properties and the magnetism are discussed with the calculated spin-polarized density of states.

• Journal of the Korean Magnetic Resonance Society
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• v.12 no.1
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• pp.14-25
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• 2008

To investigate the 3-bond connectivity of human brain metabolites by scalar coupling interaction through 2D-correlation spectroscopy (COSY) techniques using high field NMR spectroscopy. All NMR experiments were performed at 298K on Unity Inova 500 or 600 (Varian Inc.) equipped with a triple resonance probe head with z-shield gradient. Human brain metabolites were prepared with 10% $D_2O$. Two dimensional 2D COSY spectra were acquired with 4096 complex data points in $t_2$ and 128 or 256 increments in $t_1$ dimension. The spectral width was 9615.4 Hz and solvent suppression was achieved using presaturation using low power irradiation of the water resonance during 2s of relaxation delay. NMR data were processed using VNMRJ (Varian Instrument) software and all the chemical shifts were referenced to the methyl resonance of N-acetyl aspartate (NAA) peak at 2.0 ppm. Total 10 metabolites such as N-acetyl aspartate (NAA), creatine (Cr), choline (Cho), glutamine (Gln), glutamate (Glu), myo-inositol (Ins), lactate (Lac), taurine (Tau), ${\gamma}$-aminobutyricacid (GABA), alanine (Ala) were included for major target metabolites. Symmetrical 2D-COSY spectra were successfully acquired. Total 14 COSY cross peaks were observed even though there were parallel/orthogonal noisy peaks induced by water suppression. Except for Cr, all of human brain metabolites produced COSY cross peaks. The spectra of NAA methyl proton at 2.02 ppm and Glu methylene proton ($CH_2(3)$) at 2.11 ppm and Gln methylene proton ($CH_2(3)$) at 2.14 ppm were overlapped in the similar resonance frequency between 2.00 ppm and 2.15 ppm. The present study demonstrated that in vitro 2D-COSY represented the 3-bond connectivity of human brain metabolites by scalar coupling interaction. This study could aid in better understanding the interactions between human brain metabolites in vivo 2D-COSY study. Also it would be helpful to determine the molecular stereochemistry in vivo by using two-dimensional MR spectroscopy.

• Journal of the Korean Magnetics Society
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• v.26 no.1
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• pp.1-6
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• 2016

Pd has the highest magnetic susceptibility among single element metals and often shows ferromagnetism under some special environments. In this paper, we report magnetism of 5- and 9-monolayers (ML) calculated by using full-potential linearized augmented plane wave method. Exchange-correlation interaction is taken into account in local density approximation (LDA) and generalized gradient approximation (GGA) and calculational results in LDA and GGA are compared with each other. It is found that calculations by LDA are more reliable compared to those by GGA because LDA prediction of paramagnetism of bulk Pd is consistent with experiments, whereas GGA predicts wrongly ferromagnetim of bulk Pd. Calculational results in LDA on a 5-ML Pd(111) thin film shows a ferromagnetic ground state unlike a paramagnetic ground state of bulk Pd. The center Pd layer of the 5-ML Pd(111) thin film has the largest magnetic moment ($0.273{\mu}_B$) among the layers and |m| = 1 orbital states play a dominant role in stabilizing the ferromagnetism of the 5-ML Pd(111) thin film. A 9-ML Pd(111) thin film in a ferromagnetic state has almost the same total energy as in a paramagnetic state. Since the magnetization of the 9-ML Pd(111) thin film is stable, the ferromagnetic state may be meta-stable.

• Geophysics and Geophysical Exploration
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• v.8 no.1
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• pp.18-25
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• 2005

We derive refraction statics for seismic data recorded in a hard rock terrain, in which there are large and rapid variations in the depth of weathering. The statics corrections range from less than 10 ms to more than 70 ms, often over distances as short as 12 receiver intervals. This study is another demonstration of the importance in obtaining accurate initial refraction models of the weathering in hard rock terrains in which automatic residual statics may fail. We show that the statics values computed with a simple model of the weathering using the Generalized Reciprocal Method (GRM) and the Refraction Convolution Section (RCS) are comparable in accuracy to those computed with a more complex model of the weathering, using least-mean-squares inversion with the conjugate gradient algorithm (Taner et al., 1998). The differences in statics values between the GRM model and that of Taner et al. (1998) systematically vary from an average of 2ms to 4ms over a distance of 8.8 km. The differences between these two refraction models and the final statics model, which includes the automatic residual values, are generally less than 5 ms. The residuals for the GRM model are frequently less than those for the model of Taner et al. (1998). The RCS statics are picked approximately 10 ms later, but their relative accuracy is comparable to that of the GRM statics. The residual statics values show a general correlation with the refraction statics values, and they can be reduced in magnitude by using a lower average seismic velocity in the weathering. These results suggest that inaccurate average seismic velocities in the weathered layer may often be a source of short-wavelength statics, rather than any shortcomings with the inversion algorithms in determining averaged delay times from the traveltimes.

• Journal of the Korean Chemical Society
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• v.65 no.6
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• pp.433-440
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• 2021

Surfactants are organic compounds that have both hydrophilic and non-polar parts in one molecule, classified as non-ion, anion, cation, and amphoteric surfactants according to the charge of hydrophilic parts in aqueous state. A trace amounts may remain when vegetables and fruits are washed using type1 detergent (Vegetable and fruit detergent), and there is a possibility of exposure to the human body through ingestion. This study developed the simultaneous analysis method for 5 surfactants with LC-MS/MS for analysis of detergent residues after washing vegetables and fruits with detergent. The mobile phase used distilled water and acetonitrile containing 50 mM ammonium formate and 0.1% formic acid and was analyzed using a gradient method using XBridge BEH C8 column. The accuracy of the established method was 83.9-112.1%, and the precision was less than 20%. The detection limit was 7.0 (SLS) to 29.0 (SLES-N3) ㎍/L, and the correlation coefficient (r²) of calibration line regression was greater than 0.99, it is considered suitable for the analysis of trace amounts of surfactant components remaining in vegetables and fruits.

• KIPS Transactions on Software and Data Engineering
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• v.12 no.3
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• pp.125-132
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• 2023

In this study, we compared the performance of machine learning models for predicting Vapor Pressure Deficits (VPD) in greenhouses that affect pore function and photosynthesis as well as plant growth due to nutrient absorption of plants. For VPD prediction, the correlation between the environmental elements in and outside the greenhouse and the temporal elements of the time series data was confirmed, and how the highly correlated elements affect VPD was confirmed. Before analyzing the performance of the prediction model, the amount and interval of analysis time series data (1 day, 3 days, 7 days) and interval (20 minutes, 1 hour) were checked to adjust the amount and interval of data. Finally, four machine learning prediction models (XGB Regressor, LGBM Regressor, Random Forest Regressor, etc.) were applied to compare the prediction performance by model. As a result of the prediction of the model, when data of 1 day at 20 minute intervals were used, the highest prediction performance was 0.008 for MAE and 0.011 for RMSE in LGBM. In addition, it was confirmed that the factor that most influences VPD prediction after 20 minutes was VPD (VPD_y__71) from the past 20 minutes rather than environmental factors. Using the results of this study, it is possible to increase crop productivity through VPD prediction, condensation of greenhouses, and prevention of disease occurrence. In the future, it can be used not only in predicting environmental data of greenhouses, but also in various fields such as production prediction and smart farm control models.

• Analytical Science and Technology
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• v.20 no.5
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• pp.424-433
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• 2007

An analytical method for the determination of thyroid hormones in plasma samples has been studied by solid-phase extraction and high-performance liquid chromatography/diode array detector (DAD)/electrospray ionization (ESI)-mass spectrometer. Seven thyroid hormones were successfully separated by gradient elution on the reverse phase Hypersil ODS column (4.6 mm I.D., 250 mm length, particle size $5{\mu}m$) with ammonium formate buffer and acetonitrile. In addition, these compounds were confirmed by UV spectra and ESI-mass Spectra. The extraction recoveries of thyroid hormones in the plasma sample (at pH 3) were in the range of 74.5-115.7 % with solid-phase extraction by C18, followed by elution with 4 mL of methanol. The calibration curves showed good linearity with the correlation coefficients ($r^2$) varying from 0.9939 to 0.9978 and the detection limits of all analytes were obtained in the range of 20-50 ng/mL (38.1-162.8 pmol/mL). As a result, thyroxine was found in the range of 50.98-112.97 ng/mL in normal plasma samples.

• Journal of the Korean Recycled Construction Resources Institute
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• v.11 no.3
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• pp.184-191
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• 2023

With increasing corrosion in RC (Reinforced Concrete) structures, cracks occurred due to corrosion products and bearing load resistance decreased. In this study, corrosion was induced through an accelerated corrosion test (ICM: Impressed Current Method) with 140 hours of duration, and changes in USV (Ultra-Sonic Velocity), flexural failure load, and corrosion weight were evaluated before and after corrosion test. Three levels of cover depth (20 mm, 30 mm, and 40 mm) were considered, and the initial cracking period increased and the rust around steel decreased with increasing cover depth. In addition, the USV linearly decreased with decreasing cover depth and increasing amount of corrosion. In the flexural loading test, the bending capacity decreased by more than 10% due to corrosion, but a clear correlation could not be obtained since the corrosion ratio was small, so that the effect of slip was greater than that of reduced cross-sectional area of steel due to corrosion. As cover depth increased, the produced corrosion amount and USV changed with a clear linear relationship, and the cracking period due to corrosion could be estimated by the gradient of the measured corrosion current.

• Korean Journal of Radiology
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• v.22 no.5
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• pp.770-781
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• 2021

Objective: Chemical exchange-dependent saturation transfer (CEST) MRI is sensitive for detecting solid-like proteins and may detect changes in the levels of mobile proteins and peptides in tissues. The objective of this study was to evaluate the characteristics of chemical exchange proton pools using the CEST MRI technique in patients with dementia. Materials and Methods: Our institutional review board approved this cross-sectional prospective study and informed consent was obtained from all participants. This study included 41 subjects (19 with dementia and 22 without dementia). Complete CEST data of the brain were obtained using a three-dimensional gradient and spin-echo sequence to map CEST indices, such as amide, amine, hydroxyl, and magnetization transfer ratio asymmetry (MTR_asym) values, using six-pool Lorentzian fitting. Statistical analyses of CEST indices were performed to evaluate group comparisons, their correlations with gray matter volume (GMV) and Mini-Mental State Examination (MMSE) scores, and receiver operating characteristic (ROC) curves. Results: Amine signals (0.029 for non-dementia, 0.046 for dementia, p = 0.011 at hippocampus) and MTR_asym values at 3 ppm (0.748 for non-dementia, 1.138 for dementia, p = 0.022 at hippocampus), and 3.5 ppm (0.463 for non-dementia, 0.875 for dementia, p = 0.029 at hippocampus) were significantly higher in the dementia group than in the non-dementia group. Most CEST indices were not significantly correlated with GMV; however, except amide, most indices were significantly correlated with the MMSE scores. The classification power of most CEST indices was lower than that of GMV but adding one of the CEST indices in GMV improved the classification between the subject groups. The largest improvement was seen in the MTR_asym values at 2 ppm in the anterior cingulate (area under the ROC curve = 0.981), with a sensitivity of 100 and a specificity of 90.91. Conclusion: CEST MRI potentially allows noninvasive image alterations in the Alzheimer's disease brain without injecting isotopes for monitoring different disease states and may provide a new imaging biomarker in the future.

• Korean Journal of Radiology
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• v.20 no.4
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• pp.662-670
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• 2019

Objective: A developmental venous anomaly (DVA) is a vascular malformation of ambiguous clinical significance. We aimed to quantify the susceptibility of draining veins (χ_vein) in DVA and determine its significance with respect to oxygen metabolism using quantitative susceptibility mapping (QSM). Materials and Methods: Brain magnetic resonance imaging of 27 consecutive patients with incidentally detected DVAs were retrospectively reviewed. Based on the presence of abnormal hyperintensity on T2-weighted images (T2WI) in the brain parenchyma adjacent to DVA, the patients were grouped into edema (E+, n = 9) and non-edema (E-, n = 18) groups. A 3T MR scanner was used to obtain fully flow-compensated gradient echo images for susceptibility-weighted imaging with source images used for QSM processing. The χ_vein was measured semi-automatically using QSM. The normalized χ_vein was also estimated. Clinical and MR measurements were compared between the E+ and E- groups using Student's t-test or Mann-Whitney U test. Correlations between the χ_vein and area of hyperintensity on T2WI and between χ_vein and diameter of the collecting veins were assessed. The correlation coefficient was also calculated using normalized veins. Results: The DVAs of the E+ group had significantly higher χ_vein (196.5 ± 27.9 vs. 167.7 ± 33.6, p = 0.036) and larger diameter of the draining veins (p = 0.006), and patients were older (p = 0.006) than those in the E- group. The χ_vein was also linearly correlated with the hyperintense area on T2WI (r = 0.633, 95% confidence interval 0.333-0.817, p < 0.001). Conclusion: DVAs with abnormal hyperintensity on T2WI have higher susceptibility values for draining veins, indicating an increased oxygen extraction fraction that might be associated with venous congestion.