• Title/Summary/Keyword: Model compounds

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Influence of various metal oxides (PbO, Fe2O3, MgO, and Al2O3) on the mechanical properties and γ-ray attenuation performance of zinc barium borate glasses

  • Aljawhara H. Almuqrin;K.A. Mahmoud;U. Rilwan;M.I. Sayyed
    • Nuclear Engineering and Technology
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    • v.56 no.7
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    • pp.2711-2717
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    • 2024
  • The current work aims to fabricate metal oxide-doped (PbO, Fe2O3, MgO, and Al2O3, each of which boasts a purity of 99%) zinc barium borate glasses through the melt quenching technique at the 1000 ℃ melting temperature. The results showed that adding 5 mol.% of metal oxides PbO, Fe2O3, Al2O3, and MgO increases the density of the zinc barium borate glasses. Additionally, the fabricated glasses' mechanical properties were determined based on the Makishima-Mackenzie model, which proved that the highest mechanical properties were achieved for glasses doped with Al2O3 compounds. The mechanical moduli for the glasses doped with Al2O3 reach 80.95 GPa (Young), 59.90 GPa (bulk), 31.75 GPa (shear), and 102.23 GPa (longitudinal). Additionally, the Al2O3-doped glasses' microhardness reaches 4.77 GPa. Moreover, estimation of the fabricated glasses' gamma-ray shielding capacity utilized Monte Carlo simulation. The highest linear attenuation coefficients are 29.132, 19.906, 19.243, and 18.923 cm-1 obtained at 0.033 MeV for glasses dopped by PbO, Fe2O3, MgO, and Al2O3, respectively. Therefore, glasses doped with 5 mol.% of PbO have high gamma-ray shielding capacities followed by glasses doped by Fe2O3.

Network pharmacology prediction to discover the potential pharmacological action mechanism of Rhizoma Dioscoreae for liver regeneration

  • Wei Liu;Wenyu Wang;Chenglong Tian;Ming-Zhong Sun;Shuqing Liu;Qinlong Liu
    • The Korean Journal of Physiology and Pharmacology
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    • v.28 no.5
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    • pp.479-491
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    • 2024
  • Improving liver regeneration (LR) remains a medical issue, and there is currently a lack of safe and effective drugs for LR. Rhizoma Dioscoreae (SanYak, SY) is a traditional Chinese medicine. However, the underlying action mechanism of SY treatment for LR is yet to be fully elucidated. To explore the mechanism by which SY affects LR, we have conducted a series of methods for network pharmacological analysis, molecular docking, and in vivo experimental validation in mice. Overall, 9 compounds and 30 predicted target genes of SY were found to be associated with the therapeutic effects of LR. Compared with the model group, hematoxylin and eosin staining revealed that the mice with preoperative drug intervention possessed fewer postoperative hepatocyte bubbles and relatively regular morphology. Furthermore, the serum alanine transaminase and aspartate aminotransferase levels were reduced, immunohistochemistry revealed elevated proliferating cell nuclear antigen positivity rate, and Western blotting demonstrated that the phospho-protein kinase B (AKT)/AKT ratio was downregulated and that vascular endothelial growth factor A (VEGFA) expression levels were upregulated. This study explored dioscin, the main active ingredient of SY, and its potential therapeutic effects on LR. It repairs damaged liver following surgery and promotes liver cell proliferation. The action mechanism comprises reducing AKT phosphorylation levels and upregulating VEGFA expression levels. Thus, this study provides a new direction for further research on the mechanism of SY promoting LR.

Preventive Characteristics of Garlic Extracts Using in vitro Model System on Alzheimer's Disease (In vitro model system을 활용한 마늘 추출물의 치매예방 특성)

  • Choi, Gwi-Nam;Kim, Ji-Hye;Kwak, Ji-Hyun;Jeong, Chang-Ho;Jeong, Hee-Rok;Shin, Jung-Hye;Kang, Min-Jung;Sung, Nak-Ju;Heo, Ho-Jin
    • Journal of agriculture & life science
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    • v.44 no.4
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    • pp.45-55
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    • 2010
  • In this study, the acetylcholinesterase (AChE) inhibition and neuronal cell protective effects of water, 100% methanol and dichlromethane extracts from garlic were investigated. We found that dichloromethane extract of garlic resulted in a dose-dependent manner on AChE inhibition ($IC_{50}$: $36.1{\mu}g/mL$). In cell viability assay using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-tetrazoliumbromide (MTT), cell viabilities of water, 100% methanol and dichlromethane extracts were lower (almost under 40%) than amyloid ${\beta}$ protein ($A{\beta}$)-induced neurotoxicity. Because $A{\beta}$ is also known to increase neuronal cell membrane breakdown, neuronal apoptosis was further confirmed by lactate dehydrogenase (LDH) and neutral red uptake (NRU) assay. Water extract presented relative protection against $A{\beta}$-induced membrane damage in LDH assay. However all garlic extracts showed significant problem with decrease of cell viability in NRU assay, especially at dichloromethan extract. To determine active compounds in column fractions (98:2 fraction) from dichloromethane extract which showed significant AChE inhibitory effect, we performed HPLC and LC-MS analysis. It was supposed that garlic may contain allyl methyl disulfide, diallyl monosulfide, and diallyl disulfide as active compounds.

High Resolution Genomic Profile of Neuro2a Murine Neuroblastoma Cell Line by Array-based Comparative Genomic Hybridization (고집적어레이 기반의 비교유전체보합법(CGH)을 통한 신경아세포종 Neuro2a 세포의 유전체이상 분석)

  • Do, Jin-Hwan;Kim, In-Su;Ko, Hyun-Myung;Choi, Dong-Kug
    • Journal of Life Science
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    • v.19 no.4
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    • pp.449-456
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    • 2009
  • Murine Neuro-2a (N2a) cells have been widely used for the investigation of neuronal differentiation, trophic interaction and neurotoxic effects of various compounds and their associated mechanisms. N2a cells have many genomic variations such as gains or losses in DNA copy number, similar to other neuroblastoma cells, and no systematic or high-resolution studies of their genome-wide chromosomal aberrations have been reported. Presently, we conducted a systematic genome-wide determination of chromosomal aberrations in N2a cells using a high-throughput, oligonucleotide array-based comparative genomic hybridization (oaCGH) technique. A hidden Markov Model was employed to assign each genomic oligonucleotide to a DNA copy number state: double loss, single loss, normal, gain, double gain and amplification. Unlike most neuroblastoma cells, Mycn amplification was not observed in N2a cells. In addition, these cells showed gain only in the neuron-derived neurotrophic factor (NF), while other neurotrophic factors such as glial line-derived NF and brain-derived NF presented normal copy numbers. Chromosomes 4, 8, 10, 11 and 15 displayed more than 1000 aberrational oligonucleotides, while chromosomes 3, 17, 18 and 19 displayed less than 20. The largest region of gain was located on chromosome 8 and its size was no less than 26.7 Mb (Chr8:8427841-35162415), while chromosome 4 had the longest region of single deletion, with a size of 15.1 Mb (Chr4:73265785-88374165).

Estimation of Personal Exposure to Air Pollutants for Workers Using Time Activity Pattern and Air Concentration of Microenvironments (시간활동 양상과 국소환경 농도를 이용한 근로자의 유해 공기오염물질 노출 예측)

  • Lee, Hyunsoo;Lee, Seokyong;Lee, Byoungjun;Heo, Jung;Kim, Sunshin;Yang, Wonho
    • Journal of Korean Society of Occupational and Environmental Hygiene
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    • v.24 no.4
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    • pp.436-445
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    • 2014
  • Objectives: Time-activity studies have become an integral part of comprehensive exposure assessment and personal exposure modeling. The aims of this study were to estimate exposure levels to nitrogen dioxide($NO_2$) and volatile organic compounds(VOCs), and to compare estimated exposures by using time-activity patterns and indoor air concentrations. Methods: The major microenvironments for office workers were selected using the Time-Use Survey conducted by the National Statistical Office in Korea in 2009. A total of 9,194 and 6,130 workers were recruited for weekdays and weekends, respectively, from the Time-Use Survey. It appears that workers were spending about 50% of their time in the house and about 30% of their time in other indoor areas during the weekdays. In addition, we analyzed the time-activity patterns of 20 office workers and indoor air concentrations in Daegu using a questionnaire and time-activity diary. Estimated exposures were compared with measured concentrations using the time-weighted average analysis of air pollutants. Conclusions: According to the time-activity pattern for the office workers, time spent in the residence indoors during the summer and winter have been shown as $11.12{\pm}2.20$ hours and $12.48{\pm}1.77$ hours, respectively, which indicates higher hours in the winter. Time spent in the office in the summer has been shown to be 1.5 hours higher than in the winter. The target pollutants demonstrate a positive correlation ($R^2=0.076{\sim}0.553$)in the personal exposure results derived from direct measurement and estimated personal exposure concentrations by applying the time activity pattern, as well as measured concentration of the partial environment to the TWA model. However, these correlations were not statistically significant. This may be explained by the difference being caused by other indoor environments, such as a bar, cafe, or diner.

Change of Antioxidative Activity at Different Harvest Time and Improvement of Atopic Dermatitis Effects for Persimmon Leaf Extract (감잎(柿葉) 추출물의 채취시기에 따른 항산화 활성 변화 및 아토피성 피부염 개선효과)

  • Jung, Woo-Young;Jeong, Jong-Moon
    • The Korea Journal of Herbology
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    • v.27 no.1
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    • pp.41-49
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    • 2012
  • Objectives : The purpose of this study was to investigate the anti-oxidative and anti-atopic dermatitis effects of persimmon leaf extract obtained from Cheongdo-gun, where more than 60% of Korean persimmon is produced. Methods : Anti-oxidative effects of the crude persimmon leaf extract harvested monthly between May and November were determined by in vitro assay using 1,1-diphenyl-2-picrylhydrazyl (DPPH) and superoxide dismutase (SOD)-like reaction. Anti-atopic dermatitis effects of the crude persimmon leaf extract were determined by using collagenase type I inhibition assay and by quantitative assays including serum histamine, prostaglandin E metabolite and leukotriene $B_4$ levels in animal model of atopic dermatitis using Balb/c mice. Results : Persimmon leaf extract harvested in May had higher levels of total phenolic compounds (182.24 mg/g) and flavonoids (23.05 mg/g) than the ones of different month extract. Also, persimmon leaf extract harvested in May showed the most effective extract scavenging activities of DPPH free radical ($13.39{\pm}0.21\;{\mu}g/ml$) and superoxide anion radical ($40.52{\pm}2.32\;{\mu}g/ml$), leading to use the persimmon leaf extract harvested in May for the experiments hereafter. Persimmon leaf extract showed $326.71{\pm}4.6\;{\mu}g/ml$ of 50% inhibitory concentration ($IC_{50}$) for collagenase type I which is responsible for the degradation of extracellular matrix. In addition, persimmon leaf extract application group could decrease serum levels of histamine, prostaglandin E metabolite and leukotriene $B_4$ compared to the negative control in animal model of atopic dermatitis. Especially, persimmon leaf extract showed a significantly decreased serum leukotriene $B_4$ level relative to the levels of histamine and prostaglandin E metabolite. Conclusions : Persimmon leaf extract showed anti-oxidative and anti-atopic dermatitis effects in vitro and in vivo. These results suggest that persimmon leaf extract may have immunoregulatory function for alleviating atopic dermatitis by decreasing collagenase activity and mast cell activation.

Comparative Modeling of Human Tyrosinase - an Important Target for Developing Skin Whitening Agents (피부 미백제의 타겟 단백질인 인간 티로시나제의 3차원 구조 상동 모델링)

  • Choi, Jongkeun;Suh, Joo Won
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.13 no.11
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    • pp.5350-5355
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    • 2012
  • Human tyrosinase (hTyr) catalyzes the first and rate limiting step in the biosynthesis of a skin color determinant, melanin. Although a number of cosmetic companies have tried to develop hTyr inhibitors for several decades, absence of 3D structure of hTyr make it impossible to design or screen inhibitors by structure-based approach. Therefore, we built a 3D structure by comparative modeling technique based on the crystal structure of tyrosinase from Bacillus megaterium to provide structural information and to search new hit compounds from database. Our model revealed that two copper atoms of active site located deep inside and were coordinated with six strictly conserved histidine residues coming from four-helix-bundle. Substrate binding site had narrow funnel like shape and its entrance was wide and exposed to solvent. In addition, hTyr-tyrosine and hTyr-kojic acid, a well-known inhibitor, complexes were modeled with the guide of solvent accessible surface generated by in-house software. Our model demonstrated that only phenol group or its analogs could fill the binding site near the nuclear copper center, because inside of binding site had narrow shape relatively. In conclusion, the results of this study may provide helpful information for designing and screening new anti-melanogenic agents.

Influence of the CYP1A1 T3801C Polymorphism on Tobacco and Alcohol-Associated Head and Neck Cancer Susceptibility in Northeast India

  • Singh, Seram Anil;Choudhury, Javed Hussain;Kapfo, Wetetsho;Kundu, Sharbadeb;Dhar, Bishal;Laskar, Shaheen;Das, Raima;Kumar, Manish;Ghosh, Sankar Kumar
    • Asian Pacific Journal of Cancer Prevention
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    • v.16 no.16
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    • pp.6953-6961
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    • 2015
  • Background: Tobacco and alcohol contain or may generate carcinogenic compounds related to cancers. CYP1A1 enzymes act upon these carcinogens before elimination from the body. The aim of this study was to investigate whether CYP1A1 T3801C polymorphism modulates the relationship between tobacco and alcohol-associated head and neck cancer (HNC) susceptibility among the northeast Indian population. Materials and Methods: One hundred and seventy histologically confirmed HNC cases and 230 controls were included within the study. The CYP1A1 T3801C polymorphism was determined using PCR-RFLP, and the results were confirmed by DNA sequencing. Logistic regression (LR) and multifactor dimensionality reduction (MDR) approaches were applied for statistical analysis. Results: The CYP1A1 CC genotype was significantly associated with HNC risk (P=0.045). A significantly increased risk of HNC (OR=6.09; P<0.0001) was observed in individuals with combined habits of smoking, alcohol drinking and tobacco-betel quid chewing. Further, gene-environment interactions revealed enhanced risks of HNC among smokers, alcohol drinkers and tobacco-betel quid chewers carrying CYP1A1 TC or CC genotypes. The highest risk of HNC was observed among smokers (OR=7.55; P=0.009) and chewers (OR=10.8; P<0.0001) carrying the CYP1A1 CC genotype. In MDR analysis, the best model for HNC risk was the three-factor model combination of smoking, tobacco-betel quid chewing and the CYP1A1 variant genotype (CVC=99/100; TBA=0.605; P<0.0001); whereas interaction entropy graphs showed synergistic interaction between tobacco habits and CYP1A1. Conclusions: Our results confirm that the CYP1A1 T3801C polymorphism modifies the risk of HNC and further demonstrated importance of gene-environment interaction.

Optimization of LC-MS/MS for the Analysis of Sulfamethoxazole by using Response Surface Analysis (반응표면분석법을 이용한 설파메톡사졸의 액체크로마토그래프-텐덤형 질량분석 최적화)

  • Bae, Hyo-Kwan;Jung, Jin-Young
    • Journal of Korean Society of Environmental Engineers
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    • v.31 no.9
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    • pp.825-830
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    • 2009
  • Pharmaceutical compounds enter the water environment through the diverse pathways. Because their concentration in the water environment was frequently detected in the level of ppt to ppb, the monitoring system should be optimized as much as possible for finding appropriate management policies and technical solutions. One Factor At a Time (OFAT) approach approximating the response with a single variable has been preferred for the optimization of LC-MS/MS operational conditions. However, it is common that variables in analytical instruments are interdependent. Therefore, the best condition could be found by using the statistical optimization method changing multiple variables at a time. In this research, response surface analysis (RSA) was applied to the LC-MS/MS analysis of emerging antibiotic compound, sulfamethoxazole, for the best sensitivity. In the screening test, fragmentation energy and collision voltage were selected as independent variables. They were changed simultaneously for the statistical optimization and a polynomial equation was fit to the data set. The correlation coefficient, $R^2$ valuerepresented 0.9947 and the error between the predicted and observed value showed only 3.41% at the random condition, fragmentation energy of 60 and collision voltage of 17 eV. Therefore, it was concluded that the model derived by RSA successfully predict the response. The optimal conditions identified by the model were fragmentation energy of 116.6 and collision voltage of 10.9 eV. This RSA can be extensively utilized for optimizing conditions of solid-phase extraction and liquid chromatography.

Agriculture Pollution and its Countermeasures with Special Consideration of Pesticides (작물생산과 농업공해 및 그 대책)

  • Li, Gwo-Chen
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.27 no.4
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    • pp.340-360
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    • 1982
  • Because of the continuing rapid increase in pesticide usage in Taiwan, much attention has been focus on pesticide contamination of food and effect of pesticides on human and environmental health. The Plant Protection Center (PPC) conducts safety evaluation of pesticides usee! in Taiwan. The pesticides are classified into different groups based on their acute toxicities. Pesticides which are classified into extremely toxic group are not allow to used on short term crops or the continuously harvest crops. The acute toxicity of pesticides to the beneficial insects are also studied, special attention has been paid to the two predators of rice brown planthopper. 60% of cultivated land in Taiwan are paddy field; therefore, acute fish toxicity was taken into consideration when a pesticide was applied for registration to be used in the paddy. Fish toxicities were evaluated by the dangerous rating value which is the amount of pesticide residue in the field water over the TLM value. Mutagenicity of pesticides was continuously evaluated by using Arne's microbial testing method. Island wide survey of residual levels of pesticides of known pollutants such as chlorinated hydrocarbon . insecticides, mercurial compounds in soil, water and biological samples were carried out constantly. The potential of a new1y Imported esticides to pollute the environment were studied by using model ecosystem. Ecological magnification (EM) of a chemical was calculated from model ecosystem. A chemical was considered as a pollutant when its EM value over 5000. In order to ensure the levels of pesticides residue of the crop within the safety limit. The 'tolerance' of pesticides on different crop groupings were established base on 1) acceptable daily intake value of individual pesticides, 2) average daily consumption of each crop groupings by Chinese person, 3) Actual residues of pesticides. on different crops obtained from supervised trials. Total about 79 pesticides for which the tolerances have been established on different crop groupings. Because the intensive agricultural system was adopted in Taiwan. The phytotoxicity of pesticides to the non-target crops was therefore become one of the important factor in the safety evaluation of pesticide usage. These will include 1) direct injury, 2) injury caused by pesticide polluted irrigation water, 3) injury caused by the pesticide polluted soil, 4) reduction of growth caused by the effect of pesticide on the soil microorganisms. This paper will reviewed all the aspects mentioned in the previous .paragraphs. Most the works have done in Taiwan by the PPC.y the PPC.

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