• Transactions of the Korean hydrogen and new energy society
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• v.3 no.2
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• pp.17-24
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• 1992

Hydrogen gas sensors were fabricated after the form of metal/insulator/semiconductor(MIS) structure on a p-type silicon wafer and a insulating layer (silicon dioxide) thickness was changed from $500{\AA}$ to $5000{\AA}$. Their electrical properties were investigated with the variation of the hydrogen gas concentration at room temperature. At the applied forward bias of lV to both ends of Pd-MIS sensors the current was decreased logarithmically with the increase of hydrogen concentration in air. In the case of a thin $SiO_2$ layered ($500{\AA}$) sensor the current ratio was decreased to 25 % at 1 % of hydrogen concentration in air and 50% for a thick $SiO_2$ layered ($5000{\AA}$) sensor. And the response time of the thick insulating layered sensor to 1% hydrogen containing air was about 50 seconds and regeneration time was 2.5 minutes. When a 0.5mA current was appied to the thick insulating layered sensor the maximun voltage shift was calculated to 0.8V in the case of ${\theta}$ = 1 and the Pd surface coverage of hydrogen was increased logarithmically with hydrogen partial pressure.

• Bulletin of the Korean Chemical Society
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• v.16 no.6
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• pp.547-552
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• 1995

As an extension to the Kramers' restricted Hartree-Fock (KRHF) method [J. Comp. Chem., 13, 595 (1992)], we have implemented the Kramers' restricted configuration interaction (KRCI) program in order to calculate excited states as well as the ground state of polyatomic molecules containing heavy atoms. This KRCI is based on determinants composed of the two-component molecular spinors which are generated from KRHF calculations. The Hamiltonian employed in the KRHF and KRCI methods contains most of all the important relativistic effects including spin-orbit terms through the use of relativistic effective core potentials (REP). The present program which is limited to a small configuration space has been tested for a few atoms and molecules. Excitation energies of the group 14 and 16 elements calculated using the present KRCI program are in good accordance with the spectroscopic data. Calculated excitation energies for many Rydberg states of K and Cs indicate that spin-orbit terms in the REP, which are derived for the ground state, are also reliable for the description of highly excited states. The electronic states of the polyatomic molecule CH3I are probed from the molecular region to the dissociation limit. Test calculations demonstrate that the present KRCI is a useful method for the description of potential energy surface of polyatomic molecules containing heavy atoms.

• Mass Spectrometry Letters
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• v.10 no.3
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• pp.93-101
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• 2019

Algorithms and software for predicting tandem mass spectra have been developed in recent years. In this work, we explore how distinct in silico $MS^2$ spectra are predicted for isomers, i.e. compounds having the same formula and similar molecular structures, to differentiate between them. We used the CFM-ID 2.0/3.0 predictor with regard to (a) test compounds, whose experimental mass spectra had been randomly sampled from the MassBank of North America (MoNA) collection, and to (b) the most widespread isomers of test compounds searched in the PubChem database. In the first validation test, in silico mass spectra constitute a reference library, and library searches are performed for test experimental spectra of "unknowns". The searches led to the true positive rate (TPR) of ($46-48{\pm}10$)%. In the second test, in silico and experimental spectra were interchanged and this resulted in a TPR of ($58{\pm}10$)%. There were no significant differences between results obtained with different metrics of spectral similarity and predictor versions. In a comparison of test compounds vs. their isomers, a statistically significant correlation between mass spectral data and structural features was observed. The TPR values obtained should be regarded as reasonable results for predicting tandem mass spectra of related chemical structures.

• Macromolecular Research
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• v.16 no.3
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• pp.189-193
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• 2008

Thermal cross-linking method of poly(vinyl alcohol) (PVA) using poly(acrylic acid) (PAA) was carried out on PVA/PAA hydrogels. The level of gelation was measured in the PVA/PAA hydrogels with various PAA contents. The swelling behavior at various pHs showed that the swelling kinetics and water contents of the PVA/PAA hydrogels reached equilibrium after 30 h, and the time to reach the equilibrium state decreased with increasing PAA content in the hydrogel. The water content increased with increasing pH of the buffer solution. The permeation and release of the drug were tested using indomethacin as a model drug. The permeated and released amounts of the drug increased with decreasing the PAA content because of the low free volume in the hydrogel due to the higher cross-linking density. The kinetic profile of drug release at various pHs showed that all samples reached the equilibrium state within the 5 h.

• Food Science and Industry
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• v.54 no.3
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• pp.160-170
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• 2021

A recent advance in communication technologies accelerates the spread of food safety issues once presented by the news media. To respond to those safety issues and take steps in a timely manner, automatically detecting related information from the news data matters. This work presents an AI-based system that detects risk information within a food-related news article. Experts in food safety areas participated in labeling risk information from the food-related news articles; we acquired 43,527 articles in which food names and risk information are marked as labels. Based on the news document, our system automatically detects food names and risk information by analyzing similarities between words within a text by leveraging learned word embedding vectors. Our AI-based system shows higher detection accuracy scores over a non-AI rule-based system: achieving an absolute gain of +32.94% in F1 for the food name category and +41.53% for the risk information category.

• Korean Chemical Engineering Research
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• v.57 no.2
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• pp.164-171
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• 2019

The protonation parameters, dissociation constants ($pK_{BH^+}$) of conjugate acid, slope values (m, ${\phi}$ and $m^*$) and correlation coefficients (r) of hydroxamic acids were determined by Hammett acidity function method, Bunnett-Olsen method and excess acidity method in hydrochloric and perchloric acid solutions. Effect of acid concentration on partition and percentage protonation was also studied. $pK_{BH^+}$ values show that hydroxamic acids do not behave as Hammett bases, but hydroxamic acids behave as weak bases in strong acidic solutions. The values of $pK_{BH^+}$ obtained through Bunnett-Olsen method and excess acidity method were compared with the Hammett acidity function. ChemAxon's MarvinSketch 6.1.5 software was also used for determining $pK_a$, pI and microspecies distribution (%) of hydroxamic acids with pH. Hydrogen donor and acceptor values and logD were also obtained. The results show that N-p-chlorophenyl-4-bromobenzohydroxamic acid has the highest $pK_a$ and lowest logD values. On the contrary, N-phenyl-3,5-dinitrobenzohydroxamic acid has lowest the $pK_a$ and highest logD values.

• Natural Product Sciences
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• v.25 no.3
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• pp.215-221
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• 2019

Inflammation is the crucial biological process of immune system which acts as body's defense and protective response against the injuries or infection. However, the systemic inflammation devotes the adverse effects such as multiple inflammation associated diseases. One of the best ways to treat this entity is by blocking the tumor necrosis factor alpha ($TNF-{\alpha}$) and TNF-related apoptosis-inducing ligand (TRAIL) to avoid the proinflammation cytokines production. Thus, this study aims to evaluate the potency of Sambucus bioactive compounds as anti-inflammation through in silico approach. In order to assess that, molecular docking was performed to evaluate the interaction properties between the $TNF-{\alpha}$ or TRAIL with the ligands. The 2D structure of ligands were retrieved online via PubChem and the 3D protein modeling was done by using SWISS Model. The prediction results of the study showed that caffeic acid (-6.4 kcal/mol) and homovanillic acid (-6.6 kcal/mol) have the greatest binding affinity against the $TNF-{\alpha}$ and TRAIL respectively. This evidence suggests that caffeic acid and homovanillic acid may potent as anti-inflammatory agent against the inflammation associated diseases. Finally, this study needs further examination and evaluation to validate the potency of Sambucus bioactive compounds.

• Journal of Environmental Health Sciences
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• v.49 no.4
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• pp.201-209
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• 2023

Background: To describe domain knowledge consistently and precisely, the establishment of a controlled vocabulary, a so-called ontology, is essential. Internationally, the plant ontology (PO) in the ecology field has been developed for the anatomy and developmental stages of plants in English, Spanish, and Japanese, but there is no Korean version of the PO due to a lack of knowledge on standardization for Korean plants. Objectives: We aimed to establish a Korean plant ontology with core PO architectures. Methods: The latest ontology web language (OWL)-formatted raw version of the PO was collected from the PO consortium site. A formal workflow process and OWL file-handing tools for efficient Korean content development were conducted and executed. Results: The macro- and micro-perspective frameworks of the PO were presented by analyzing the upper model and the internal OWL-leveled physical structure, respectively. We developed and validated Korean knowledge content for a total of 1,957 classes included in the PO and transplanted them into an ontology modeling system. Conclusions: A Korean plant ontology was established for international harmonization through improved compatibility and data exchangeability with multilingual environmental and ecological knowledge bases.

• Korean Journal of Veterinary Research
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• v.37 no.4
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• pp.917-924
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• 1997

Estrus cycle of cow, season and follicldar stimulating treatment, having an effect on the number of follicle, are investigated for the oocyte recovery rate in ovum pick-up(OPU). The number of follicle aspirated and oocyte collected on the different days of estrus cycle(D 4~5, D 9~10 and D 14~15) were not significantly different among the groups. The higher number of viable oocytes were produced on Jan-May(79.0%) than Jun-Aug(33.3%) by OPU in cow. The number of follicle and aspirated oocyte in cows treated FSH or PMSG combined with bovine somatotropin(bST) were 1.2~1.5 times higher than in cows treated alone follicular stimulating hormone(FSH) or pregnant mare serum gonadotropin(PMSG). In conclusion, OPU can be repeatedly practiced 2 or 3 times in an estrus cycle. In addition, the high environmental temperature is not good for ovarian function of cow and the bST co-treatment with FSH or PMSG is increasing the number of aspiratable follicle.

• Journal of the Korean Ceramic Society
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• v.35 no.2
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• pp.137-144
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• 1998

High-temperature superconducting joints between 61 filaments of Bi-2223 tapes were fabricated by chem-ical corrosion and repeated thermomechanical process. The silver sheath of the superconducting tape was chemically removed using chemical etchant(NH4OH:H2O2=1:1) from one side of each tape without altering the form of lap joint. The joined region was formed by uniaxial pressing and a series of thermomechanical process and then subjected to properties measurement and microstructural analysis. The critical current(Ic) variation and I-V characteristics along the joint were mesured with several configuration of proble points. Ic value of the transition region of the joint inthe multifilament tape which limit the total current carring capacity of the superconducting tape was higher than that of monofilament tape. But the transition ex-ponent n-value of the multi-filament tape was lower than that of monofilament wire due to the interaction of the individual superconducting core of the multi-filament. The critical current through the joint area was improved by respeated press and reaction annealing treatment.