• Archives of Pharmacal Research
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• 제28권10호
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• pp.1122-1126
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• 2005

Tungtungmadic acid (3-caffeoyl-4-dihydrocaffeoyl quinic acid) is a new chlorogenic acid derivative that was isolated from the Salicomia herbacea. The structure of tungtungmadic acid was determined using chemical and spectral analysis. The antioxidant activity of tungtungmadic acid was evaluated using various antioxidant assays, including free radical scavenging, lipid peroxidation and hydroxyl radical-induced DNA strand breaks assays. Tungtungmadic acid ($IC_{50}\;=\;5.1\;{\mu}M\;and\;9.3\;{\mu}M$) was found to have higher antioxidant activity in the DPPH scavenging assay as well as in the iron-induced liver microsomal lipid peroxidation system. In addition, the tungtungmadic acid was also effective in protecting the plasmid DNA against strand breakage induced by hydroxyl radicals.

• Archives of Pharmacal Research
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• 제23권4호
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• pp.374-380
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• 2000

Propentofylline (PPF, 3-methyl-1-(5-oxohexyl)-7-propylxanthine) has been reported to be a compound for treatment of both vascular dementia and dementia of the Alzheimer type. The short half-life (about 15 min) of PPF at the terminal elimination phase and poor bioavailability after oral administration of PPF to rabbits (Kim et al., 1992) suggest in part that this drug takes the extensive first-pass metabolism in the liver. In addition, the metabolic pathway for PPF remains unclear. The objective of this experiment is to identify urinary metabolites of PPF in rats. For the identification of the metabolites, rat urine was collected after oral administration of 100${m}g/kg$ PPF. PPF metabolite, 3-methyl-1-(5-hydroxyhexyl)-7-propylxanthine, was synthesized and confirmed by gas chromatography/mass spectroscopy (GC/MS) and $^1H$ nuclear magnetic resonance spectroscopy. The urinary metabolites of PPF were extracted with diethyl ether and identified by electron impact and chemical ionization GC/MS. One urinary metabolite was confirmed to be 3-methyl-1-(5-hydroxyhexyl)-7-propylxanthine by synthesized authentic compound. Several metabolites of monohydroxy- and dihydroxy-PPF were identified based on mass fragmentation of both intact and trimethylsilylated derivatives of PPF metabolites and the novel structure of these metabolites is suggested based on mass spectra.

• 한국전기전자재료학회논문지
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• 제29권3호
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• pp.192-197
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• 2016

A novel heteroleptic ruthenium(II) complex bearing a 4-picolinic acid unit as anchoring ligands (trans-dithiocyanato bis(4-picolinic acid)ruthenium(II) (trans-H1)) was synthesized and its chemical structure was identified by $^1H$-NMR, FT-IR and mass spectroscopy. The optical, thermal, electrochemical and dye adsorption properties of trans-H1 dye were investigated and compared with those of the gold standard ruthenium complex, Ru(4,4'-dicarboxy-2,2'-bipyridine)$_2cis(NCS)_2$ (N3). DSSCs based on trans-H1 dyes were examined under the illumination of AM 1.5 G, $100mWcm^{-2}$ and exhibited typical photovoltaic properties with an open-circuit voltage ($V_{OC}$) of 0.46 V, a short-circuit current ($J_{SC}$) of $4.10mA{\cdot}cm^{-2}$, a fill factor (FF) of 60.4%, and a conversion efficiency (PCE) of 1.14%.

• 한국수소및신에너지학회논문집
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• 제21권2호
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• pp.117-122
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• 2010

BCY($Ba(Ce_{0.9}Y_{0.1})O_{3-\delta}$) oxide, shows high protonic conductivity at high temperatures, and are referred to as hydrogen separation membrane. For high efficiency of hydrogen separation ($H_2$ flux and selectivity) and low fabrication cost, ultimate thin and dense BCY-Ni layer have to be coated on a porous substrate such as $ZrO_2$. Aerosol depostion (AD) process is a novel technique to grow ceramic film with high density and nano-crystal structure at room-temperature, and would be applied to the fabrication process of AD integration ceramic layer effectively. XRD and SEM measurements were conducted in order to analyze the characteristics of BCY-Ni membrane fabricated by AD process.

• Journal of Information Processing Systems
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• 제13권5호
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• pp.1158-1167
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• 2017

Many real-world applications information are organized and represented with graph structure which is often used for representing various ubiquitous networks, such as World Wide Web, social networks, and protein-protein interactive networks. In particular, similarity evaluation between graphs is a challenging issue in many fields such as graph searching, pattern discovery, neuroscience, chemical compounds exploration and so forth. There exist some algorithms which are based on vertices or edges properties, are proposed for addressing this issue. However, these algorithms do not take both vertices and edges similarities into account. Towards this end, this paper pioneers a novel approach for similarity evaluation between graphs based on formal concept analysis. The feature of this approach is able to characterize the relationships between nodes and further reveal the similarity between graphs. Therefore, the highlight of our approach is to take vertices and edges into account simultaneously. The proposed algorithm is evaluated using a case study for validating the effectiveness of the proposed approach on detecting and measuring the similarity between graphs.

• 통합자연과학논문집
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• 제7권1호
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• pp.45-49
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• 2014

The (c-Jun N-terminal kinase 3) JNK3 is a potential therapeutic target for various neurological disorders. Here, a three dimensional quantitative structure-activity relationship (3D-QSAR) study on phenoxypyridine as JNK3 inhibitors was performed to rationalize the structural requirements responsible for the inhibitory activity of these compounds. The comparative molecular field analysis (CoMFA) using different partial atomic charges, was employed to understand the structural factors affecting JNK3 inhibitory potency. The Gasteiger-Marsili yielded a CoMFA model with cross-validated correlation coefficient ($q^2$) of 0.54 and non-cross-validated correlation coefficient ($r^2$) of 0.93 with five components. Furthermore, contour maps suggested that bulky substitution with oxygen atom in $R^3$ position could enhance the activity considerably. The work suggests that further chemical modifications of the compounds could lead to enhanced activity and could assist in the design of novel JNK3 inhibitors.

• 식품보건융합연구
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• 제5권3호
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• pp.21-33
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• 2019

The incidence of both obesity and Type 2 Diabetes Mellitus( DM) is increasing proportionately so that causes of deaths from these has overtaken from that of malnourishment. Hence it has been recommended to treat the 2 in parallel considering the role of diabesity on health. Important causes of T2DM are insulin resistance (IR) and /or inadequate insulin secretion. Protein tyrosine phosphatase 1B(PTPIB) has a negative impact in insulin signaling pathways and hence plays crucial role inT2DM,since its overexpression might induce IR. Thus PTPIB is considered a therapeutic target for both obesity and T2DM, there has been a search for novel ,promising natural inhibitors. We conducted a pubmed search for articles related to PTPIB inhibitors from natural causes be it marine sources or other natural sources. Out of 988 articles we selected 100 articles for review. Thus various bioactive molecules isolated from marine organisms that can acts as PTPIB Inhibitors and thus possess antidiabetic activity both in vitro/ in vivo studies ,besides products from fruits like Chinese raspberry or curcumin used as routine spices are described with their chemical classes, structure-activity relationships and potency as assessed by IC 50 values are discussed. More work is required to make this a reality.

• 한국응용약물학회:학술대회논문집
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• 한국응용약물학회 1995년도 춘계학술대회
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• pp.64-64
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• 1995

Cholesteryl Ester Transfer Protein (CETP) mediates the transfer of cholesterol ester and triglyceride between high-density lipoprotein (HDL) and other low-density lipoproteins, therefore, it might influence HDL levels. The levels of HDL is closely related to the atherogenic diseases in human and there were several reports that the trasgenic mice expressing CETP had much worse atherosclerosis than non-expressing control one. Therefore, selective inhibitors of CETP have the potential to be used as antiatherosclerotic agents. Continued screening for potent inhibitors of CETP led to the isolation of Suberitenone B from marine sponge. Suberitenone B, sesterterpenoids of a new skeletal class have been isolated from the sponge Suberites sp. collected from King George Island the Antartic. The structure of the metabolite has been determined by NMR experiments and chemical methods.

• Structural Engineering and Mechanics
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• 제85권6호
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• pp.755-764
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• 2023

The article examines the impact response of the sandwich beam furnished by a novel bilayer core as inspired by the woodpecker's head architecture under different repeatedly exerted low-velocity impact loadings by employing the finite element package, ABAQUS. The sandwich beam forms four essential parts comprising bottom and top carbon fiber reinforced polymer laminates encasing bilayer core made of laterally arched solid hot melt adhesive material and aluminum honeycomb. Impact loadings are implemented repeatedly with a steel hemisphere impactor for various impact energies, 7.28 J, 9.74 J, and 12.63 J. Essentially, the commonly concentrated stresses at the impact region are regulated away by the arched core in all considered cases thus reducing the threat of failure. The sandwich beam can resist up to 5 continual impacts at 7.28 J and 9.74 J but only up to 3 times repeated loads at 12.63 J before visible failure is noticed. In the examination of several key impact performance indicators under numerous loading cases, the proposed beam demonstrates favorably up to 1.3-11.2 higher impact resistance efficacies compared to existing designs, therefore displaying an improvement in repeated impact resistance of the new design.

• 농약과학회지
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• 제6권4호
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• pp.279-286
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• 2002

Quinclorac계의 새로운 제초성 화합물을 탐색하기 위하여 기질 화합물로 3-phenyl-5-(3,7-dichloro-8-quinolinyl)-1,2,4-oxadiazole 유도체들을 합성하고 정량적인 구조와 벼(Or-yza sativa L.) 및 논피(Echinochloa crus-galli)에 대한 생장 저해활성($pI_{50}$)과의 관계(QSAR)를 분석하였다. 그 결과, 기질물질은 평면성 화합물로서 벼보다는 논피에 대하여 비교적 높은(논피>벼) 생장 저해활성을 나타내었으며 벼는 전자적 성질(줄기: ${\sigma}_{opt.}=0.49$ 및 뿌리 $R_{opt.}=-0.15$)에 그리고 논피는 줄기와 뿌리, 두 부위 모두 소수성(${\pi}_{opt.}=0.37{\sim}2.40$)에 의존적이었다. QSAR 모델로부터 논피에 대한 선택성 조건은 ortho-치환된 전자 밀게로서 소수성(${\pi}$)이 2.40인 치환체가 phenyl 고리상에 도입되는 경우이었다. 그리고 고활성 분자로서 예측된 2-tolyl 또는 3-tolyl 치환체(${\Delta}pI_{50}=1.26$) 등은 선택성 징후가 엿보이는 화합물이었다.