• Title/Summary/Keyword: 분자간-

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The Crystal and Molecular Structure of Salicylaldehyde-4-piperidinothiosemicarbazone (Salicylaldehyde-4-piperidinothiosemicarbazone의 결정 및 분자구조)

  • Young-Ja Lee
    • Journal of the Korean Chemical Society
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    • v.20 no.1
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    • pp.3-14
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    • 1976
  • The crystal structure of alicylaldehyde-4-piperidinothiosemicarbazone, $C_{13}H_{l7}N_3OS$, has been determined by single crystal X-ray analysis. The crystals are orthorhombic, space group $P2_12_12_1$, with unit cell dimensions a = 6.52(2), b = 13.42(4), c = 14.92(4)${\AA}$. There are four formular units in a unit cell. The structure was solved by the heavy atom method and refined by isotropic block diagonal least-squares methods to a final R value of 0.10 for 1019 observed reflections. The oxygen atom of the hydroxyl group is involved in two hydrogen bonds, one as donor in the intramolecular O-H${\cdots}$N hydrogen bond and the other as acceptor in the intermolecular N-H${\cdots}$O hydrogen bond, the distances of the hydrogen bonds 2.56 and 3.00${\AA}$ respectively.The molecules are joined into infinite columns by the N-H${\cdots}o$O hydrogen bonds which form spirals along the two fold screw axis parallel to the a axis. The molecular columns are held together by van der Waals forces.

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Continuous Formative Beauty of Geometrical Shapes (기하형태의 연속적인 조형성 -분자구조를 중심으로-)

  • Kim, Min-Ho
    • The Journal of the Korea Contents Association
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    • v.10 no.10
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    • pp.172-179
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    • 2010
  • The study on works motivated from interest in the nature of matters and inherent visual-perceptual structure in them aims at expressing formative continuity of the connections of three dimensions of simple geometrical shapes such as circles and lines, which are characteristics of shape of molecules. With such a purpose, this study examined the geometrical shapes in modern arts and structural connection and symbolism of molecule structure, and based on such considerations, it expressed successive formative beauty which comes from repetitive connection between units by creating stereogram of simple geometrical shapes of molecule structure. The types of works include a method of connecting the units of molecule models and molecules seen in electron microscope with lines as a parameter and connecting units directly, which are used to express body accessory and metallic sculptures. Consequently, it attempted formation occurring spatial composition of continuity of division and duplication through direct connection between units and circular continuity coming from connection of simple geometrical shapes of molecule images such as spheres and curves transformed into stereogram.

The Effect of Dealumination on the Structure and Acidity of SAPO-11 Molecular Sieve (탈알루미늄화가 SAPO-11 분자체의 구조 및 산성도에 미치는 영향)

  • Park, Jong Yul;Lee, Chi Hun;Kim, Soo Kyung
    • Journal of the Korean Chemical Society
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    • v.40 no.3
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    • pp.202-208
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    • 1996
  • SAPO-11 was synthesized hydrothermally and dealuminated with $H_4$EDTA. The framework structure of SAPO-11 was maintained safely by 24 hours' dealumination, but further dealumination for 48 hours caused SAPO-11 collapsed and to be changed to variscite($AIPO_4{\cdot}2H_2O$) and tridymite($SiO_2$). Dealuminated SAPO-11 showed two structural hydroxyl bands at 3607 $cm^{-1}$ and 3453 $cm^{-1}$ respectively. The intensities of these two bands increased according to the extent of dealumination, and disappeared by the adsorption of methylamine. Dealuminated SAPO-11 showed higher desorption temperatures and greater activation energies in desorption of water and methylamine compared to non-dealuminated SAPO-11. All the phenomena may be due to the stronger interactions of Bronsted acid sites of structural hydroxyl groups generated by dealumination with adsorbed water and methylamine molecules respectively.

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Thermodynamics-Based Weight Encoding Methods for Improving Reliability of Biomolecular Perceptrons (생체분자 퍼셉트론의 신뢰성 향상을 위한 열역학 기반 가중치 코딩 방법)

  • Lim, Hee-Woong;Yoo, Suk-I.;Zhang, Byoung-Tak
    • Journal of KIISE:Software and Applications
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    • v.34 no.12
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    • pp.1056-1064
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    • 2007
  • Biomolecular computing is a new computing paradigm that uses biomolecules such as DNA for information representation and processing. The huge number of molecules in a small volume and the innate massive parallelism inspired a novel computation method, and various computation models and molecular algorithms were developed for problem solving. In the meantime, the use of biomolecules for information processing supports the possibility of DNA computing as an application for biological problems. It has the potential as an analysis tool for biochemical information such as gene expression patterns. In this context, a DNA computing-based model of a biomolecular perceptron has been proposed and the result of its experimental implementation was presented previously. The weight encoding and weighted sum operation, which are the main components of a biomolecular perceptron, are based on the competitive hybridization reactions between the input molecules and weight-encoding probe molecules. However, thermodynamic symmetry in the competitive hybridizations is assumed, so there can be some error in the weight representation depending on the probe species in use. Here we suggest a generalized model of hybridization reactions considering the asymmetric thermodynamics in competitive hybridizations and present a weight encoding method for the reliable implementation of a biomolecular perceptron based on this model. We compare the accuracy of our weight encoding method with that of the previous one via computer simulations and present the condition of probe composition to satisfy the error limit.

The Effect of Rubus coreanum Miquel Against Lipopolysaccharide-induced Oxidative Stress and Lipid Metabolism (복분자 추출물이 LPS로 유도된 산화적 스트레스와 지질대사에 미치는 영향)

  • Kim, In-Deok;Kang, Kum-Suk;Kwon, Ryun-Hee;Yang, Jeong-Ok;Lee, Joong-Sook;Ha, Bae-Jin
    • Journal of Food Hygiene and Safety
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    • v.22 no.3
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    • pp.213-217
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    • 2007
  • LPS induces the synthesis of several inflammatory cytokine, chemokine, NO and inflammation in the liver of rats. The purpose of this study was to investigate the preventive effects of Rubus coreanum Miquel (RCM) In lipid metabolism. RCM of 100 mg/kg concentration was intraperitoneally administered into rats at dose of 1.5ml/kg for 20 days. On the day 21, 1.5ml/kg of LPS was injected 4 hours before anesthetization. We examined the lipid-related functions by measuring the levels of triglyceride (TG), total cholesterol (TC), total lipid (TL), high-density lipoprotein cholesterol (HDL-C) in serum and malondialdehyde(MDA) in liver tissue. The results showed that LPS treatment increased the values of TG, TC, TL and MDA, decreasing that of HDL-C. But RCM pretreatment decreased the high values of TG, TC, TL and MDA to the low values and increased the low value of HDL-C to the high value. These results suggested that RCM could be used as the potential candidate for the lipid metabolism natural supplement.

Cognitive Ability Enhancement Effects in Rats by B. mori Fibroin Enzymatic Hydrolysate (견 피브로인 효소 가수분해물의 동물 인지기능 향상 효과)

  • Yeo Joo-Hong;Lee Kwang-Gill;Kweon HaeYong;Woo Soon-Ok;Han Sang-Mi;Lee Yong-Woo;Kim Jin-Il;Kim Sung-Su;Demura Makoto
    • Journal of Sericultural and Entomological Science
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    • v.46 no.1
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    • pp.23-27
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    • 2004
  • We were investigated the cognitive ability enhancement in rats using B. mori fibroin molecular controlled hydrolysate by preparative recycle HPLC system. Also, some of its physicochemical properties and free amino acid components were investigated, too. Nuclear magnetic resonance (NMR) spectrum are measured different pattern between high (HF) and low (LF) molecular controlled B. mori fibroin samples, respectively. The in vitro test by neuron primary cell culture are showed dependent on molecular weight (Mw) of B. mori fibroin in the order of LF > MF > HF, too. However, the memorial effects in rats by in vivo test are large dependent molecular weight on that maximum 50% than control. Also, the memorial effect was higher than the enzymatic relative and acid hydrolysate, which was 50.0$\pm$2.1 and 25.9$\pm$0.32%, respectively.

Quality Characteristics of Curd Yogurt with Rubus coreanum Miquel Juice (복분자(Rubus coreanum Miquel) 즙을 첨가한 호상 요구르트의 품질 특성)

  • Hwang, Hyun-Joo;Lee, Jong-Ho
    • Culinary science and hospitality research
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    • v.12 no.2 s.29
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    • pp.195-205
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    • 2006
  • In this study, we investigated the quality characteristics of curd yogurt with different content of Rubus coreanus Miquel juice. Yogurt was fermented with three kinds of lactic acid bacteria(Streptococcus thermophilus, Lactobacillus acidophilus, Lactobacillus casei). The changes of quality characteristics were investigated during fermentation and an acceptance test was performed after fermentation. The pH was decreased on the whole, and titratable acidity was gradually increased during fermentation. The number of viable cells was increased in case of yogurt with 1% to 4% Rubus coreanus Miquel juice, while it was inhibited in the sample with 6% and 7%. There was similar content in composition of protein, lactose, FFA, TS and NFS of curd yogurt after fermentation. Color value of curd yogurt with Rubus coreanus Miquel juice was higher in L(brightness), a(redness) and b(yellowness), compared with the control. Sensory attributes of color, odor, taste, after taste and overall acceptability of the curd yogurt with 3% Rubus coreanus Miquel juice showed highest preference among samples.

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PET-Based Molecular Nuclear Neuro-Imaging

  • Kim, Jong-Ho
    • The Korean Journal of Nuclear Medicine
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    • v.38 no.2
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    • pp.161-170
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    • 2004
  • Molecular Nuclear Neuro-Imaging in "CNS" drug discovery and development tan be divided into four categories that are clearly inter-related.(1) Neuroreceptor mapping to examine the involvement of specific neurotransmitter system in CNS diseases, drug occupancy characteristics and perhaps examine mechanisms of action;(2) Structural and spectroscopic imaging to examine morphological changes and their consequences;(3) Metabolic mapping to provide evidence of central activity and "CNS fingerprinting" the neuroanatomy of drug effects;(4) Functional mapping to examing disease-drug interactions. In addition, targeted delivery of therapeutic agents could be achieved by modifying stem cells to release specific drugs at the site of transplantation('stem cell pharmacology'). Future exploitation of stem cell biology, including enhanced release of therapeutic factors through genetic stem cell engineering, might thus constitute promising pharmaceutical approaches to treating diseases of the nervous system. With continued improvements in instrumentation, identification of better imaging probes by innovative chemistry, molecular nuclear neuro-imaging promise to play increasingly important roles in disease diagnosis and therapy.

Deep-learning Prediction Based Molecular Structure Virtual Screening (딥러닝 예측 기반의 OLED 재료 분자구조 가상 스크리닝)

  • Jeon, Yerin;Lee, Kyu-Hwang;Lee, Hokyung
    • Korean Chemical Engineering Research
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    • v.58 no.2
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    • pp.230-234
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    • 2020
  • A system that uses deep-learning techniques to predict properties from molecular structures has been developed to apply to chemical, biological and material studies. Based on the database where molecular structure and property information are accumulated, a deep-learning model looking for the relationship between the structure and the property can eventually provide a property prediction for the new molecular structure. In addition, experiments on the actual properties of the selected molecular structure will be carried out in parallel to carry out continuous verification and model updates. This allows for the screening of high-quality molecular structures from large quantities of molecular structures within a short period of time, and increases the efficiency and success rate of research. In this paper, we would like to introduce the overall composition of the materiality prediction system using deep-learning and the cases applied in the actual excavation of new structures in LG Chem.

Diffraction Efficiency Improvement of PVA/AA/SeO2 Photopolymer with Various Film Thickness and Eosin Y Contents (PVA/AA/SeO2 광고분자 필름의 두께 및 Eosin Y 함량 변화에 따른 회절효율 향상에 관한 연구)

  • Her, Ki-Young;Jang, Hwan-Ho;Kim, Dae-Heum
    • Korean Journal of Optics and Photonics
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    • v.20 no.4
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    • pp.230-235
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    • 2009
  • Photopolymer is evaluated as better material than the others used for hologram storage, due to many advantages, such as high diffraction efficiency, easy processing, and self-developing. In this study, chalcogenide inorganic compound ($SeO_2$) which has optical activity, was added to polyvinyl alcohol/acrylamide photopolymer films. In order to optimize diffraction efficiency of these photopolymer films, we prepared the photopolymer films with various film thicknesses and Eosin Y content. Diffraction efficiency of the photopolymer films were measured using a 532 nm laser at $40^{\circ}$ incident angle. As a result, the phtopolymer film with Eosin Y content of 0.0045 g and thickness of $297{\mu}m$ showed the highest diffraction efficiency (78.70%).