• Title/Summary/Keyword: molecular computer

Search Result 344, Processing Time 0.027 seconds

Dielectric Relaxation in Ethylene Glycol - Dimethyl Sulfoxide Mixtures as a Function of Composition and Temperature

  • Undre, P.B.;Khirade, P.W.;Rajenimbalkar, V.S.;Helambe, S.N.;Mehrotra, S.C.
    • Journal of the Korean Chemical Society
    • /
    • v.56 no.4
    • /
    • pp.416-423
    • /
    • 2012
  • Using time domain reflectometry, the complex dielectric spectra between 10 MHz to 20 GHz has been measured in the whole composition range at 10, 20, 30 and $40^{\circ}C$ for the binary mixtures of ethylene glycol and dimethyl sulfoxide. For all the mixtures, only one dielectric loss peak was observed in this frequency range. The relaxation in these mixtures can be described by a single relaxation time using the Debye model. A systematic variation is observed in dielectric constant (${\varepsilon}_0$) and relaxation time (${\tau}$). The excess permittivity (${\varepsilon}^E$), excess inverse relaxation time $(1/{\tau})^E$, Kirkwood correlation factor (g) and thermodynamic parameters viz. enthalpy of activation (${\Delta}H$) and Gibbs free energy of activation (${\Delta}G$) have been determined, to confirm the formation of hydrogen bonded homogeneous and heterogeneous cooperative domains, the dynamics of solute - solute interaction and the hindrance to molecular rotation in the hydrogen bonded glass forming ethylene glycol - dimethyl sulphoxide system.

Conformation of Retinoic Acid and Structure-Activity Relationships -Retinobenzoic Acid- (레티노익 산의 형태와 구조-활성 관계 -레티노벤조익 산-)

  • Rhee, Jong-Dal;Rhee, In-Ja
    • YAKHAK HOEJI
    • /
    • v.38 no.3
    • /
    • pp.230-237
    • /
    • 1994
  • The structure-activity relationships of (E)-chalcone-4-carboxylic acids, flavone-4'-carboxylic acids, two types of aromatic amides, terephthalic monoanilides, and (arylcarboxamido)benzoic acids, which were made by Shudo group, are discussed by conformation analysis(AM1) of retinoic acid and those compounds. Conformer of each compound is superimposed on the conformationally restricted compound, 4-(6,7,8,9-tetrahydro-6,6,9,9-tetramethyl-4H-4-oxonaphto[ 2,3-b]pyran-2-yl) benzoic acid(Fv80), possessing the strongest differentiation-inducing activity on human promyelocytic leukemia cells HL-60. The results indicated that the lengths between the carboxylic carbon and the two 6, 9 carbons binding to dimethyl, 1.20 nm and 1.09 nm, as well as the planarity of molecule are very important factors for the activity, especially 1.20 nm. In the case of the recently synthesized azulenic retinoic acids by Sato, et al. in 1993, the distance probably is also important, resulted from superimposing them on a Ch55 conformer and Fv80. The distance 1.0 nm is also important in Ch55. Several conformers of all-trans retinoic acid (RA) are well superimposed on the almost non-flexible Fv80, RA, 9-cis RA, and, specifically s-10,12 cis RA. And a simple hexangular model of RA is suggested to draw RA conformers easily without computer drawing model or molecular model.

  • PDF

The Hydrogen Loading Method for FBG Fabrication (광섬유격자 제작을 위한 수소 처리 방법 연구)

  • Song, Jeong-Hwan;Lee, Kyung-Shik
    • Journal of the Institute of Electronics Engineers of Korea SD
    • /
    • v.37 no.7
    • /
    • pp.29-35
    • /
    • 2000
  • The relationship between calculated hydrogen molecular concentration in fiber core and measured index change during the grating growth is analyzed. The index change increases by ${\sim}2{\times}10^{-5}$ per 100ppm of $H_2$ concentration in standard telecommunication optical fiber and the defects related photosensitivity generate ${\sim}3.8{\times}10^{17}$ per 100ppm of $H_2$.

  • PDF

Detection of Neural Fates from Random Differentiation : Application of Support Vector MachineMin

  • Lee, Min-Su;Ahn, Jeong-Hyuck;Park, Woong-Yang
    • Genomics & Informatics
    • /
    • v.5 no.1
    • /
    • pp.1-5
    • /
    • 2007
  • Embryonic stem cells can be differentiated into various types of cells, requiring a tight regulation of transcription. Biomarkers related to each lineage of cells are used to guide the differentiation into neural or any other fates. In previous experiments, we reported the guided differentiation (GD)-specific genes by comparing profiles of random differentiation (RD). Interestingly 68% of differentially expressed genes in GD overlap with that of RD, which makes it difficult for us to separate the lineages by examining several markers. In this paper, we design a prediction model to identify the differentiation into neural fates from any other lineage. From the profiles of 11,376 genes, 203 differentially expressed genes between neural and random differentiation were selected by random variance T-test with 95% confidence and 5% false discovery rate. Based on support vector machine algorithm, we could select 79 marker genes from the 203 informative genes to construct the optimal prediction model. Here we propose a prediction model for the prediction of neural fates from random differentiation which is constructed with a perfect accuracy.

Developing a Bioinformatics Tool for Peptide Nucleic Acid (PNA) antisense Technique Utilizing Parallel Computing System (Peptide Nucleic Acid(PNA)를 이용한 antisense 기법에 적용할 병렬 컴퓨팅용 Bioinformatics tool 개발)

  • Kim Seong-Jo;Jeon Ho-Sang;Hong Seung-Pyo;Kim Hyon-Chang;Kim Han-Jip;Min Churl-K
    • Proceedings of the Korean Information Science Society Conference
    • /
    • 2006.06a
    • /
    • pp.43-45
    • /
    • 2006
  • Unlike RNA interference, whose usage is limited to eukaryotic cells, Peptide Nucleic Acid (PNA) technique is applicable to both eukaryotic and prokaryotic cells. PNA has been proven to be an effective agent for blocking gene expressions and has several advantages over other antisense techniques. Here we developed a parallel computing software that provides the ideal sequences to design PNA oligos to prevent any off-target effects. We applied a new approach in our location-finding algorithm that finds a target gene from the whole genome sequence. Message Passing Interface (MPI) was used to perform parallel computing in order to reduce the calculation time. The software will help biologists design more accurate and effective antisense PNA by minimizing the chance of off-target effects.

  • PDF

Optical Resolution of Hexanol Derivatives, Synthesis of Optically Active Systhane from Them and Its Biological Activity (Hexanol 유도체의 순수이성질체로의 분할, 이를 이용한 광학활성 시스탄의 합성 및 생물학적 활성)

  • Im, Dai-Sig;Lee, So-Ha;Cheong, Chan-Seong
    • Applied Biological Chemistry
    • /
    • v.46 no.3
    • /
    • pp.240-245
    • /
    • 2003
  • $({\pm})-2-(4-Chlorophenyl)-2-cyano-2-phenyl-1-hexanol$ (2) and acetate ester (3) were resolved by various lipases. (R) and (S)-systhane were synthesized by the resolved compound 2. The antifungal screening of (R), (S)-systhane and $({\pm})-systhane$ against wheat leaf rust and barley powdery mildew gave activity over 92% in concentration of 2 ppm, but (R)- and (S)-systhane were not more active than $({\pm})-systhane$.

A Study on the PET/CT Fusion Imaging (PET/CT 결합영상진단 검사에 관한 연구)

  • Kim, Jong Gyu
    • Korean Journal of Clinical Laboratory Science
    • /
    • v.36 no.2
    • /
    • pp.193-198
    • /
    • 2004
  • PET/CT combines the functional information from a positron emission tomography (PET) exam with the anatomical information from a computed tomography (CT) exam into one single exam. A CT scan uses a combination of x-rays and computers to give the radiologist a non-invasive way to see inside your body. One advantage of CT is its ability to rapidly acquire two-dimensional pictures of your anatomy. Using a computer these 2-D images can be presented in 3-D for in-depth clinical evaluation. A PET scan detects changes in the cellular function - how your cells are utilizing nutrients like sugar and oxygen. Since these functional changes take place before physical changes occur, PET can provide information that enables your physician to make an early diagnosis. The PET exam pinpoints metabolic activity in cells and the CT exam provides an anatomical reference. When these two scans are fused together, your physician can view metabolic changes in the proper anatomical context of your body. PET/CT offers significant advantages including more accurate localization of functional abnormalities, and the distinction of pathological from normal physiological uptake, and improvements in monitoring treatment. A PET/CT scan allows physicians to measure the body's abnormal molecular cell activity to detect cancer (such as breast cancer, lung cancer, colorectal cancer, lymphoma, melanoma and other skin cancers), brain disorders (such as Alzheimer's disease, Parkinson's disease, and epilepsy), and heart disease (such as coronary artery disease).

  • PDF

Proteomic Analysis of the Hydrophobic Fraction of Mesenchymal Stem Cells Derived from Human Umbilical Cord Blood

  • Jeong, Ju Ah;Lee, Yoon;Lee, Woobok;Jung, Sangwon;Lee, Dong-Seong;Jeong, Namcheol;Lee, Hyun Soo;Bae, Yongsoo;Jeon, Choon-Ju;Kim, Hoeon
    • Molecules and Cells
    • /
    • v.22 no.1
    • /
    • pp.36-43
    • /
    • 2006
  • Mesenchymal stem cells (MSCs) are promising candidates for cell therapy and tissue engineering, but their application has been impeded by lack of knowledge of their core biological properties. In order to identify MSC-specific proteins, the hydrophobic protein fraction was individually prepared from two different umbilical cord blood (UCB)-derived MSC populations; these were then subjected to two-dimensional (2D) gel electrophoresis and peptide mass fingerprinting matrix-assisted laser desorption/ionization (MALDI)-time of flight (TOF)-mass spectrometry (MS). Although the 2D gel patterns differed somewhat between the two samples, computer-assisted image analysis identified shared protein spots. 35 spots were reliably identified corresponding to 32 different proteins, many of which were chaperones. Based on their primary sub-cellular locations the proteins could be grouped into 6 categories: extracellular, cell surface, endoplasmic reticular, mitochondrial, cytoplasmic and cytoskeletal proteins. This map of the water-insoluble proteome may provide valuable insights into the biology of the cell surface and other compartments of human MSCs.

Surface Effects on the Optical Performance of Liquid Crystal Displays

  • Youn, Hyung-Jin;Lee, Cheol-Soo;Jung, Moo-Sung;Kim, Dae-Woo;Yoon, Suk-In;Yoon, Sang-Ho;Won, Tae-Young
    • 한국정보디스플레이학회:학술대회논문집
    • /
    • 2005.07a
    • /
    • pp.515-518
    • /
    • 2005
  • In this paper, we report on our theoretical study on the effect of surface anchoring. Molecular dynamics as well as optical characteristics of PVA cell are computer-simulated with 3D-FEM numerical solver, TechWiz $LCD^{(R)}$. Although simulation parameters are the same except for the consideration of surface anchoring, the simulation reveals that optical transmittance is improved by more than 8% for the weak anchoring case with comparison to the strong anchoring case. Moreover, capacitance between pixel and common electrode is 7% lower for the strong anchoring than that for the weak anchoring. This implies that there exists an appreciable difference between the strong anchoring case and the weak anchoring case. It is very important to take the effect of surface anchoring into account in order to figure out the optical characteristics of an LCD cell more accurately.

  • PDF

Development of Leuconostoc sp. Host Vector System

  • Eom, Hyun-Ju;Park, Myeong-Soo;Ji, Geun-Eog;Han, Nam-Soo
    • Proceedings of the Korean Society for Applied Microbiology Conference
    • /
    • 2004.06a
    • /
    • pp.323-327
    • /
    • 2004
  • Leuconostoc citreum CBUE isolated from kimchi proved to harbor a small cryptic plasmid, pNS75. The complete nucleotide sequence of pNS75 was 1,821 bp and had a low G+C content of 39.2%. Computer analysis using DNASIS revealed one open reading frame (ORF), having ATG as putatitive start condon and potentially encoding proteins with molecular mass of 38 kDa. The chimeric plasmid pLeuCM was first constructed wih pNS75, pUC19 and chroamphenicol acetyltransferase (CAT) from Staphylococcus sp.. pLeuCM replicated and expressed chroamphenicol acetyltransferase in Leuconostoc citerum CBNF after transformation. To test the availability of shuttle vector as cloning vehicle of foreign gene, $\alpha$-amylase gene of Streptococcus bovis was cloned and all transformants secreated the $\alpha$-amylase successfully. The result indicates that pLeuCM is a potential shuttle vector for Leuconostoc spp. and lactic acid bacteria.

  • PDF