• Analytical Science and Technology
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• v.30 no.6
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• pp.379-389
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• 2017

In this study, we set up an analytical method that can be used for rapid and accurate determination of representative isoquinoline alkaloids in medicinal plants using UPLC-ESI-Q-TOF MS (ultra pressure liquid chromatography-electrospray ionization-quadrupole-time-of-flight mass spectrometry). The compounds were eluted on a C18 column with 0.1 % formic acid and acetonitrile, and separated with good resolution within 13 min. Each of the separated components was characterized by precursor ions (generated by ESI-Q-TOF) and fragment ions (produced by collision-induced dissociation, CID), which were used as a reliable database. We also performed method validation: analytes showed excellent linearity ($R^2$, 0.9971-0.9996), LOD (5-25 ng/mL), LOQ (17-82 ng/mL), accuracy (91.6-97.4 %) as well as intra- and inter-day precisions (RSD, 1.8-3.2 %). In the analysis of Chelidonium majus L., magnoflorine, coptisine, sanguinarine, berberine and palmatine were detected by matching retention times and characteristic fragment ion patterns of reference standards. We also confirmed that, among the quantified components, coptisine was present in the highest quantity. Furthermore, alkaloid profiling was carried out by analyzing the fragment ion patterns corresponding to peaks of unknown components. In this manner, protopine, chelidonine, stylopine, dihydroberberine, canadine, and nitidine were tentatively identified. We also proposed the molecular structure of the fragment ions that appear in the mass spectrum. Therefore, we concluded that our suggested method for the determination of major isoquinoline alkaloids by UPLC-Q-TOF can be useful not only for quality control, but also for rapid and accurate investigation of phytochemical constituents of medicinal plants.

• Natural Product Sciences
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• v.17 no.2
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• pp.147-159
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• 2011

A high-performance liquid chromatography-electrospray ionization-tandem mass spectrometric method was developed to determine simultaneously eight marker constituents of Forsythiae fructus, and subsequently applied it to classify its two botanical origins. The marker compounds of Forsythia suspensa were phillyrin, pinoresinol, phillygenin, lariciresinol and forsythiaside; those of F.viridissima were arctiin, arctigenin and matairesinol. Separation of the eight analytes was achieved on a phenyl-hexyl column (150${\times}$2.0 mm i.d., 3 ${\mu}M$) using gradient elution with the mobile phase: (A) 10% acetonitrile in 0.5% acetic acid, (B) 40% aqueous acetonitrile. A few fragment ions specific to the types of lignans, among the product ions generated by collisonally induced dissociation (CID) of molecular ion clusters, such as [M-H]$^-$ or [M+OAc]$^-$ were used not only for fingerprinting analysis but for the quantification of each epimer by using multiple-reaction monitoring mode. It was shown good linearity ($r^2{\geq}$ 0.9998) over the wide range of all analytes; intra- and inter-day precisions (RSD, %) were within 9.14% and the accuracy ranged from 84.3 to 115.1%. The analytical results of 40 drug samples, combined with multivariate statistical analyses - principal component analysis (PCA) and hierarchical cluster analysis (HCA) - clearly demonstrated the classification of the test samples according to their botanical origins. This method would provide a practical strategy for assessing the authenticity or quality of the herbal drug.

• Korean Journal of Chemical Engineering
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• v.35 no.12
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• pp.2394-2402
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• 2018

Textile dyes are some of the pollutants which have received the most attention because of the large volume of wastewater generated by the textile industry. Removal by means of adsorption is one of the most versatile alternatives to treat these effluents. Even though different adsorbents such as activated carbons and mineral materials have been proposed, polymeric adsorbents are a viable alternative. This work reports for the first time the use of polyelectrolyte PTZ and macroelectrolyte MTZ containing tetrazole groups as adsorbents useful in the textile dyes removal present in aqueous solutions and wastewater. Because of the anionic character of the tetrazole group, MTZ exhibits selective adsorption capabilities for cationic dyes of up to $156.25mg{\cdot}g^{-1}$. The kinetic study of the process of adsorption shows that PTZ and MTZ fit a pseudo second-order model. MTZ also shows utility as a flocculant agent in the treatment of wastewater containing dyes Indigo Blue and Reactive Black. The results showed that PTZ and MTZ may be used in the treatment of wastewater in a process of coagulation-flocculation followed by the treatment by adsorption. This two-stage treatment removed up to 95% of the dye present in the wastewater. As well as removing the dyes, the values for COD, suspended solids, pH, and color of the wastewater decreased, thus significantly improving its quality.

• Wind and Structures
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• v.32 no.4
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• pp.355-369
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• 2021

Shape optimization of tall buildings is an efficient approach to mitigate wind-induced effects. Several studies have demonstrated the potential of shape modifications to improve the building's aerodynamic properties. On the other hand, it is well-known that the cross-section geometry has a direct impact in the floor area availability and subsequently in the building's profitability. Hence, it is of interest for the designers to find the balance between these two design criteria that may require contradictory design strategies. This study proposes a surrogate-based multi-objective optimization framework to tackle this design problem. Closed-form equations provided by the Eurocode are used to obtain the wind-induced responses for several wind directions, seeking to develop an industry-oriented approach. CFD-based surrogates emulate the aerodynamic response of the building cross-section, using as input parameters the cross-section geometry and the wind angle of attack. The definition of the building's modified plan shapes is done adopting the reduced basis approach, advancing the current strategies currently adopted in aerodynamic optimization of civil engineering structures. The multi-objective optimization problem is solved with both the classical weighted Sum Method and the Weighted Min-Max approach, which enables obtaining the complete Pareto front in both convex and non-convex regions. Two application examples are presented in this study to demonstrate the feasibility of the proposed strategy, which permits the identification of Pareto optima from which the designer can choose the most adequate design balancing profitability and occupant comfort.

• Genomics & Informatics
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• v.20 no.3
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• pp.33.1-33.17
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• 2022

Nervous necrosis virus (NNV) is a deadly infectious disease that affects several fish species. It has been found that the NNV utilizes grouper heat shock cognate protein 70 (GHSC70) to enter the host cell. Thus, blocking the virus entry by targeting the responsible protein can protect the fishes from disease. The main objective of the study was to evaluate the inhibitory potentiality of 70 compounds of Azadirachta indica (Neem plant) which has been reported to show potential antiviral activity against various pathogens, but activity against the NNV has not yet been reported. The binding affinity of 70 compounds was calculated against the GHSC70 with the docking and molecular dynamics (MD) simulation approaches. Both the docking and MD methods predict 4 (PubChem CID: 14492795, 10134, 5280863, and 11119228) inhibitory compounds that bind strongly with the GHSC70 protein with a binding affinity of -9.7, -9.5, -9.1, and -9.0 kcal/mol, respectively. Also, the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of the compounds confirmed the drug-likeness properties. As a result of the investigation, it may be inferred that Neem plant compounds may act as significant inhibitors of viral entry into the host cell. More in-vitro testing is needed to establish their effectiveness.

• Bulletin of the Korean Chemical Society
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• v.34 no.6
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• pp.1684-1688
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• 2013

A rapid and sensitive method for determining usnic acid of Lethariella cladonioides in rat was established using high performance liquid chromatography (HPLC) quadrupole time-of-flight (QTOF) tandem mass (MS/MS). Rat plasma was pretreated by mixture of acetonitrile and chloroform to precipitate plasma proteins. Chromatographic separation was achieved on a column ($50{\times}2.1$ mm, $5{\mu}m$) with a mobile phase consisting of water (containing $5{\times}10^{-3}$ M ammonium formate, pH was adjusted to 3.0 with formic acid) and acetonitrile (20:80, v/v) at a flow rate of 0.3 mL/min. A tandem mass spectrometric detection with an electrospray ionization (ESI) interface was conducted via collision induced dissociation (CID) under negative ionization mode. The MS/MS transitions monitored were m/z 343.0448 ${\rightarrow}$ m/z 313.2017 for usnic acid and m/z 153.1024 ${\rightarrow}$ m/z 136.2136 for protocatechuic acid (internal standard). The linear range was calculated to be 2.0-160.0 ng/mL with a detection limit of 3.0 pg/mL. The inter- and intra-day accuracy and precision were within ${\pm}7.0%$. Pharmacokinetic study showed that the apartment of usnic acid in vivo confirmed to be a two compartment open model. The method was fully valid and will probably be an alternative for pharmacokinetic study of usnic acid.

• KOREAN JOURNAL OF CROP SCIENCE
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• v.41 no.6
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• pp.729-735
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• 1996

This study was carried out to investigate the effect of Germaniwn(Ge) treatment in the culture media on the Ge absorption by the callus induced from brown rice cv. Dongjinbyeo. MS medium was more effective on the growth ratio of callus and the content of Ge and some inorganic elements except K in callus than N$_{6}$ medium. The more Ge treatment in the N$_{6}$ or MS medium, the more Ge absorption by the callus, but the growth ratio of callus and the content of Ca, Mg, and K in callus were decreased. The content of Fe, Mn, Zn, and Cu was increased under treatment up to 100～200mg /$\ell$ Ge, but tended to be decreased under treatment more than that of Ge concentration. Under treatment less than 150mg /$\ell$ Ge, GeO$_2$(inorganic Ge) was more effective on the Ge absorption by callus than Ge-132(organic Ge), but Ge-132 was more effective on the Ge ab-sorption by callus and the activity of callus in case of treatment more than 150mg /$\ell$ Ge. The lower pH of culture medium, the higher Ge content in the callus. When callus was cultured on medium supplemented with Ge and 0.1～1.0mM of citric acid or myo-inositol, content of Ge and some inorganic elements in callus, as well as growth and dry weight of callus, were tend to increase in comparison to control, but myo-inositol was more effective on them than citric acid.cid.

• Proceedings of the Korean Information Science Society Conference
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• 1998.10c
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• pp.279-281
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• 1998

CSCW는 지리적으로 분산된 작업자 간의 효율적인 의사소통을 위해 화상회의, 채팅(chatting), 화이트 보드(white board), 그리고 텔리포인팅(telepointing)과 같은 기능들을 제공한다. 이 중 텔리포인팅은 지역 시스템(local system)의 공유 윈도우(shard window)에서 텔리포인터(telepointer)를 통해 발생한 이벤트를 원격지 시스템(remote System)의 공유 윈도우에서 나타낼 수 있도록 하는 기능을 제공함으로써 작업자 간의 보다 효율적인 의사소통을 가능하게 한다. 이러한 의사소통 기능으로써의 텔리포인팅은 원격진료, 공동작업 플랫폼에 관한 연구에서 응용된 바 있으나 공동저작을 위한 텔리포인팅 기능에 관한 연구 및 이를 공동저작 관리 시스템 구조에 관한 연구가 미흡하다. 공동제작에서의 텔리포인팅은 저작자 간의 의사소통을 위한 기능 뿐만 아니라 동기적 공동저작과 동기적 프리젠테이션을 위한 기능으로써 응용될 수 있어야 한다. 이를 위해 공동저작 관리 시스템은 저작자 그룹인 세션(session) 단위로 텔리포인터에 대한 권한 관리와 텔리포인팅을 통한 공유객체 엑세스(access) 기능을 제공해야 한다. 또한 텔리포인팅 구조(telepointing architecture)는 텔리포인팅 이벤트의 멀티캐스팅(multicasting) 및 동기화(synchronization)를 위해 중앙에서 이벤트를 조정하는 텔리포인팅 조정 에이전트 (telepointing coordination agent)와 각 저작자의 지역 시스템에 존재하며 공유 윈도우로부터 지역 이벤트(local event)를 인식하고 텔리포인팅 이벤트를 공유 윈도우에 알리는 텔리포인팅 지역 에이전트(telepointing local agent)로 구성되어야 한다. 본 논문은 공동저작을 위한 텔리포인팅의 기능들과 이를 위한 공동저작 관리 시스템 구조를 설명하고 텔리포인팅 구조를 제시한다.cid 함량이 가장 많이 용출된 분획은 sodium hydroxide 부분으로서 hemicellulose구조가 polyuronic acid의 형태인 것으로 사료된다. 추출획분의 구성단당은 여러 곡물연구의 보고와 유사하게 glucose, arabinose, xylose 함량이 대체로 높게 나타났다. 점미가 수가용성분에서 goucose대비 용출함량이 고르게 나타나는 경향을 보였고 흑미는 알칼리가용분에서 glucose가 상당량(0.68%) 포함되고 있음을 보여주었고 arabinose(0.68%), xylose(0.05%)도 다른 종류에 비해서 다량 함유한 것으로 나타났다. 흑미는 총식이섬유 함량이 높고 pectic substances, hemicellulose, uronic acid 함량이 높아서 콜레스테롤 저하 등의 효과가 기대되며 고섬유식품으로서 조리 특성 연구가 필요한 것으로 사료된다.리하였다. 얻어진 소견(所見)은 다음과 같았다. 1. 모년령(母年齡), 임신회수(姙娠回數), 임신기간(姙娠其間), 출산시체중등(出産時體重等)의 제요인(諸要因)은 주산기사망(周産基死亡)에 대(對)하여 통계적(統計的)으로 유의(有意)한 영향을 미치고 있어 $25{\sim}29$세(歲)의 연령군에서, 2번째 임신과 2번째의 출산에서 그리고 만삭의 임신 기간에, 출산시체중(出産時體重) $3.50{\sim}3.99kg$사이의 아이에서 그 주산기사망률(周産基死亡率)이 각각 가장 낮았다. 2. 사산(死産)과 초생아사망(初生兒死亡)을 구분(區分)하여 고려해 볼때 사산(死産)은 모성(母性)의 임신력(姙娠歷)과 매우 밀접한 관련이 있는 것으로 사료(思料)되었고 초생아사망(初生兒死亡)은 미숙아(未熟兒)와 이에 관련된 병발이 거의 결정적(決定的) 원인(原因)이 된다고 사료(思料)되었다. 3. 주산기사망률(周産基死亡率)을 감소시키는 관점(觀點)에서의 모자보건사업(母子保健事業)은 미숙아방지책(未熟兒防止策

• Analytical Science and Technology
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• v.13 no.4
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• pp.504-510
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• 2000

The impurity profiles from the raw materials of glycyrrhizin were performed by the high performance liquid chromatography (HPLC)/electrospray ionization (ESI)- mass spectrometry (MS). For the HPLC experiment, a $C_{18}$($3.9{\times}300mm$, $10{\mu}m$) column was used and the mobile phase was acetic acid/$H_2O$ (1:10):acetonitrile=3:2 with a flow rate of 0.8 ml/min. The effluent was splitted into the ratio of 50:1 and went into the ESI-MS. Three to six impurities were found and informed of the identification of the structure of the impurities by ESI-MS. And the structures of impurities were suggested to a hydroxy-glycyrrhizin which is added with hydroxy group (-OH) in the glycyrrhetic acid moiety and a reduced-glycyrrhizin which the position of 12 of the glycyrrhetic acid moiety is reduced. The purities of the standard materials were about 90%.

• Korean journal of food and cookery science
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• v.24 no.5
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• pp.645-651
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• 2008

The antioxidant activity of shared fresh, steamed, and black garlic on soybean oil was assessed at levels of 0, 5, 10, 20, 0 g/100 g, respectively, and these samples were stored for 28 days at $60^{\circ}C$. The color of the oil was increased during torage. The anisidine value was increased dramatically at 14 days of storage, after which it continually increased. The cid values of the samples to which fresh and steamed garlic were added did not differ significantly, but were increased n proportion to the sample concentration after 14 days of storage in the samples to which black garlic was added. The peroxide value was lower in the samples to which shred garlic was added, as compared to the samples to which ${\alpha}$ -tocopherol and BHT were added. Garlic had an inhibitory effect on peroxides when the sample volume was larger. The TBA value was increased during storage and was inhibited with larger volumes of added shred garlic. After 28 days of storage, the TBA volumes of all samples were lower than those of the controls (335.63), with the exception of the sample to which 5 g/100 g of steamed garlic was added, particular, the shred garlics evidenced more profound antioxidant activity in the 40 g/100 g added samples than in the sample to which 0.02% BHT was added.