• Title/Summary/Keyword: Low molecule compounds

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Development of Transport Parameters affecting on the Removal of Micro Organic Compounds such as Disinfection By-Products and Pharmaceutically Active Compounds by Low-Pressure Nanofiltration

  • Oh, Jeong-Ik;Yamamoto, Kazuo
    • Environmental Engineering Research
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    • v.14 no.2
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    • pp.126-133
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    • 2009
  • This study investigated the removal characteristics of various micro organic compounds by low-pressure nanofiltration membranes comprised of disinfection by products and pharmaceutically active compounds. The experimental removal of micro organic compounds by low-pressure nanofiltration membranes was compared with the transport model calculations, which consist of diffusion and convection terms including steric hindrance factor. The selected molecule from the disinfection byproducts and pharmaceutical active compounds showed a much lower removal than polysac-charides with a similar molecular size. However,the difference between model calculation and experimental removal of disinfection by-products and pharmaceutically active compounds could be corrected. The correlation of Ks with solute radius was further considered to clarity transport phenomena of micro organic solutes through nanofiltration membranes.

Antioxygenic and Peroxide-decomposing Activities of Antarctic Krill Lipids (Krill 지질(脂質)의 항산화성(抗酸化性)과 과산화물(過酸化物) 분해작용(分解作用))

  • Lee, Jong-Ho
    • Journal of the Korean Society of Food Science and Nutrition
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    • v.13 no.3
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    • pp.326-333
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    • 1984
  • The oxidation rate of krill lipids is very slow and no peroxides are accumulated even after long storage. By means of various chromatographic techniques and mass spectrophotometry, the primary antioxidant has been identified as ${\alpha}$-tocopherol. The phospholipid fractions did not show any antioxidative activity but peroxide-decomposing properties of total lipids depended upon the phospholipid contents. The peroxide-decomposing activities of phospholipids were due to the presence of polar materials generated during the storage. The most peroxide-decomposing fractions of oxidized krill lecithin by DEAE-cellulose column chromatography was low-molecule fraction (mean molecular weight: 182) and high-molecule fraction (mean molecular weight: 1942) was the next. The separation of peroxide-decomposing properties from low-molecule fraction was achieved by partitioning between chloroform and methanol/water. The methanol/water fraction showed strong peroxide-decomposing activities and main component of this fraction was assumed hydroxyamine compounds derived from choline.

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Preparation and Properties of Organic Electroluminescent Devices Using Low Molecule Compounds (저분자 화합물을 이용한 유기 전계발광소자의 제작과 특성 연구)

  • 노준서;조중연;유정희;장영철;장호정
    • Journal of the Microelectronics and Packaging Society
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    • v.10 no.1
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    • pp.1-5
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    • 2003
  • The multi-layered OELDs(organic electroluminescent devices) were prepared on the patterened ITO (indium tin oxide)/glass substrates by the vacuum thermal evaporation method. The $Alq_3$ (tris-(8-hydroxyquinoline)aluminum) low molecule compound was used as the light emission layer. TPD(triphenyl-diamine) and $\alpha-NPD$ were used as the hole transport layer. CuPc (Copper phthalocyanine) was also used as the hole injection layers. In addition, QD2 (quinacridone2) organic material with $10\AA$ thickness was deposited in the $Alq_3$ emission layer to improve the luminance efficiency. The threshold voltage was about 7V for all devices. The luminance and efficiency of devices was improved by substitution the $\alpha-NPD$ for TPD as the hole as the hole transport layer. The luminance efficiency of the OELD sample with QD2 thin film in the $Alq_3$ emission layer was found to be 1.55 lm/W, which is about 8 times larger value compared to the sample without QD2 thin layer.

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Intracluster Ion/Molecule Reactions within 1,1-Difluoroethylene Homocluster

  • 이선영;최창주;정경훈
    • Bulletin of the Korean Chemical Society
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    • v.18 no.3
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    • pp.296-300
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    • 1997
  • The intracluster ion/molecule reactions within 1,1-difluoroethene homocluster have been studied by electron-impact quadrupole mass spectrometry. When CH2CF2 seeded in helium is expanded and ionized by electron impact, two different types of ion/molecule association (polymerization) reaction products, i.e., (CH2CF2)n+ (n≥l) and (CF2CH2)qX+ (X=fragment species, q≤n), are formed. The higher association products, (CH2CF2)n+ (n=3, 4), have shown stronger intensities over the lower association product, (CH2CF2)2+, in the low electron impact energy region ( < 39 eV). These stronger intensities are interpreted in terms of the stabilization of these ions due to the ring formations over the dimer ion in this energy region. The evidence of ring formation mechanism is on the basis of the intensity distribution of fragments at various electron impact energy. In another typical branched-chain growth reaction of these compounds, the F-shift reaction path is found to be more favorable energetically than the H-shift via the fragment patterns of clusters and semi-empirical calculation.

Small Molecule Inhibitors of Middle East Respiratory Syndrome Coronavirus Fusion by Targeting Cavities on Heptad Repeat Trimers

  • Kandeel, Mahmoud;Yamamoto, Mizuki;Al-Taher, Abdulla;Watanabe, Aya;Oh-hashi, Kentaro;Park, Byoung Kwon;Kwon, Hyung-Joo;Inoue, Jun-ichiro;Al-Nazawi, Mohammed
    • Biomolecules & Therapeutics
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    • v.28 no.4
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    • pp.311-319
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    • 2020
  • Middle East Respiratory Syndrome Coronavirus (MERS-CoV) is a newly emerging viral disease with fatal outcomes. However, no MERS-CoV-specific treatment is commercially available. Given the absence of previous structure-based drug discovery studies targeting MERS-CoV fusion proteins, this set of compounds is considered the first generation of MERS-CoV small molecule fusion inhibitors. After a virtual screening campaign of 1.56 million compounds followed by cell-cell fusion assay and MERS-CoV plaques inhibition assay, three new compounds were identified. Compound numbers 22, 73, and 74 showed IC50 values of 12.6, 21.8, and 11.12 µM, respectively, and were most effective at the onset of spike-receptor interactions. The compounds exhibited safe profiles against Human embryonic kidney cells 293 at a concentration of 20 µM with no observed toxicity in Vero cells at 10 µM. The experimental results are accompanied with predicted favorable pharmacokinetic descriptors and drug-likeness parameters. In conclusion, this study provides the first generation of MERS-CoV fusion inhibitors with potencies in the low micromolar range.

Novel DOT1L ReceptorNatural Inhibitors Involved in Mixed Lineage Leukemia: a Virtual Screening, Molecular Docking and Dynamics Simulation Study

  • Raj, Utkarsh;Kumar, Himansu;Gupta, Saurabh;Varadwaj, Pritish Kumar
    • Asian Pacific Journal of Cancer Prevention
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    • v.16 no.9
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    • pp.3817-3825
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    • 2015
  • Background: The human protein methyl-transferase DOT1L catalyzes the methylation of histone H3 on lysine 79 (H3K79) at homeobox genes and is also involved in a number of significant processes ranging from gene expression to DNA-damage response and cell cycle progression. Inhibition of DOT1L activity by shRNA or small-molecule inhibitors has been established to prevent proliferation of various MLL-rearranged leukemia cells in vitro, establishing DOT1L an attractive therapeutic target for mixed lineage leukemia (MLL). Most of the drugs currently in use for the MLL treatment are reported to have low efficacy, hence this study focused on various natural compounds which exhibit minimal toxic effects and high efficacy for the target receptor. Materials and Methods: Structures of human protein methyl-transferase DOT1L and natural compound databases were downloaded from various sources. Virtual screening, molecular docking, dynamics simulation and drug likeness studies were performed for those natural compounds to evaluate and analyze their anti-cancer activity. Results: The top five screened compounds possessing good binding affinity were identified as potential high affinity inhibitors against DOT1L's active site. The top ranking molecule amongst the screened ligands had a Glide g-score of -10.940 kcal/mol and Glide e-model score of -86.011 with 5 hydrogen bonds and 12 hydrophobic contacts. This ligand's behaviour also showed consistency during the simulation of protein-ligand complex for 20000 ps, which is indicative of its stability in the receptor pocket. Conclusions: The ligand obtained out of this screening study can be considered as a potential inhibitor for DOT1L and further can be treated as a lead for the drug designing pipeline.

Effect of vacuum regeneration of activated carbon on volatile organic compound adsorption

  • Pak, Seo-Hyun;Jeon, Yong-Woo
    • Environmental Engineering Research
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    • v.22 no.2
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    • pp.169-174
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    • 2017
  • Vacuum swing adsorption (VSA) is a promising treatment method for volatile organic compounds (VOCs). This study focuses on a VSA process for regenerating activated carbon spent with VOCs, and then investigates its adsorption capacities. Toluene was selected as the test VOC molecule, and the VSA regeneration experiments results were compared to the thermal swing adsorption process. Cyclic adsorption-desorption experiments were performed using a lab-scale apparatus with commercial activated carbon (Samchully Co.). The VSA regeneration was performed in air (0.5 L/min) at 363.15 K and 13,332 Pa. The comparative results depicted that in terms of VSA regeneration, it was found that after the fifth regeneration, about a 90% regeneration ratio was maintained. These experiments thus confirm that the VSA regeneration process has good recovery while operating at low temperatures (363.15 K) and 13,332 Pa.

Small Molecules that Potentiate Neuroectodermal Differentiation of Mouse Embryonic Stem Cells

  • Lee, Jonghwan;Rhee, Ki-Jong;Jung, Dongju
    • Biomedical Science Letters
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    • v.19 no.1
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    • pp.32-40
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    • 2013
  • Pluripotent stem cells (PSCs) have enormous potential in the biomedical sciences because they can grow continuously and differentiate into any kind of cell in the body. However, for future application in regenerative medicine, it is still a challenge to control the differentiation of PSCs without using genetic materials. To control the differentiation of PSCs, small molecules might be the best substitute for genetic materials considering the following advantages: small size, which enables penetration of plasma membrane; easy-to-modify structure; and low chance of genetic recombination in treated cells. Herein, we introduce small molecules that induce the neuroectodermal differentiation of mouse embryonic stem cells (ESCs). The small molecules were identified via ESC-based consecutive screenings of small-molecule libraries composed of 324 natural compounds or 93 selected drugs. The natural compounds discovered in the first screening were used to select 93 structurally similar drugs out of 1,200 approved drugs. In the second screening, among the 93 compounds, we found 4 drugs that induced the neuroectodermal differentiation of ESCs. These drugs were progesteroneor corticoid-derivatives. Our results suggest that small molecules targeting the progesterone receptor or glucocorticoid receptor could be used as chemical tools to induce the differentiation of PSCs into a specific germ lineage.

MRI-Guided Gadolinium Neutron Capture Therapy

  • Ji-Ae Park;Jung Young Kim;Hee-Kyung Kim
    • Journal of Radiopharmaceuticals and Molecular Probes
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    • v.8 no.2
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    • pp.113-118
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    • 2022
  • Gadolinium neutron capture therapy (Gd-NCT) is a precision radiation therapy that kills cancer cells using the neutron capture reaction that occurs when 157Gd hits thermal neutrons. 157Gd has the highest thermal neutron capture cross section of 254,000 barns among stable isotopes in the periodic table. Another stable isotope, 155Gd, also has a high thermal neutron trapping area (~ 60,700 barns), so gadolinium that exists in nature can be used as a Gd-NCT drug. Gd-NCT is a mixed kinetic energy of low-energy and high-energy ionizing particles, which can be uniformly distributed throughout the tumor tissue, thereby solving the disadvantage of heterogeneous dose distribution in tumor tissue. The Gd complexes of small-sized molecule are widely used as contrast agents for magnetic resonance imaging (MRI) in clinical practice. Therefore, these compounds can be used not only for diagnosis but also therapy when considering the concept of Gd-NCT. This multifunctional trial can look forward to new medical advance into NCT clinical practices. In this review, we introduce gadolinium compounds suitable for Gd-NCT and describe the necessity of image guided Gd-NCT.