• Title/Summary/Keyword: molecular data

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Ursodeoxycholic acid decreases age-related adiposity and inflammation in mice

  • Oh, Ah-Reum;Bae, Jin-Sik;Lee, Junghoon;Shin, Eunji;Oh, Byung-Chul;Park, Sang-Chul;Cha, Ji-Young
    • BMB Reports
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    • v.49 no.2
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    • pp.105-110
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    • 2016
  • Ursodeoxycholic acid (UDCA), a natural, hydrophilic nontoxic bile acid, is clinically effective for treating cholestatic and chronic liver diseases. We investigated the chronic effects of UDCA on age-related lipid homeostasis and underlying molecular mechanisms. Twenty-week-old C57BL/6 male and female mice were fed a diet with or without 0.3% UDCA supplementation for 25 weeks. UDCA significantly reduced weight gain, adiposity, hepatic triglyceride, and hepatic cholesterol without incidental hepatic injury. UDCA-mediated hepatic triglyceride reduction was associated with downregulated hepatic expression of peroxisome proliferator-activated receptor-γ, and of other genes involved in lipogenesis (Chrebp, Acaca, Fasn, Scd1, and Me1) and fatty acid uptake (Ldlr, Cd36). The inflammatory cytokines Tnfa, Ccl2, and Il6 were significantly decreased in liver and/or white adipose tissues of UDCA-fed mice. These data suggest that UDCA exerts beneficial effects on age-related metabolic disorders by lowering the hepatic lipid accumulation, while concurrently reducing hepatocyte and adipocyte susceptibility to inflammatory stimuli.

Biochemical Analysis of a Cytosolic Small Heat Shock Protein, NtHSP18.3, from Nicotiana tabacum

  • Yu, Ji Hee;Kim, Keun Pill;Park, Soo Min;Hong, Choo Bong
    • Molecules and Cells
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    • v.19 no.3
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    • pp.328-333
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    • 2005
  • Small heat shock proteins (sHSPs) are widely distributed, and their function and diversity of structure have been much studied in the field of molecular chaperones. In plants, which frequently have to cope with hostile environments, sHSPs are much more abundant and diverse than in other forms of life. In response to high temperature stress, sHSPs of more than twenty kinds can make up more than 1% of soluble plant proteins. We isolated a genomic clone, NtHSP18.3, from Nicotiana tabacum that encodes the complete open reading frame of a cytosolic class I small heat shock protein. To investigate the function of NtHSP18.3 in vitro, it was overproduced in Escherichia coli and purified. The purified NtHSP18.3 had typical molecular chaperone activity as it protected citrate synthase and luciferase from high temperature-induced aggregation. When E. coli celluar proteins were incubated with NtHSP18.3, a large proportion of the proteins remained soluble at temperatures as high as $70^{\circ}C$. Native gel analysis suggested that NtHSP18.3 is a dodecameric oligomer as the form present and showing molecular chaperone activity at the condition tested. Binding of bis-ANS to the oligomers of NtHSP18.3 indicated that exposure of their hydrophobic surfaces increased as the temperature was raised. Taken together, our data suggested that NtHSP18.3 is a molecular chaperone that functions as a dodecameric complex and possibly in a temperature-induced manner.

A Study on Predicting Lung Cancer Using RNA-Sequencing Data with Ensemble Learning (앙상블 기법을 활용한 RNA-Sequencing 데이터의 폐암 예측 연구)

  • Geon AN;JooYong PARK
    • Journal of Korea Artificial Intelligence Association
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    • v.2 no.1
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    • pp.7-14
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    • 2024
  • In this paper, we explore the application of RNA-sequencing data and ensemble machine learning to predict lung cancer and treatment strategies for lung cancer, a leading cause of cancer mortality worldwide. The research utilizes Random Forest, XGBoost, and LightGBM models to analyze gene expression profiles from extensive datasets, aiming to enhance predictive accuracy for lung cancer prognosis. The methodology focuses on preprocessing RNA-seq data to standardize expression levels across samples and applying ensemble algorithms to maximize prediction stability and reduce model overfitting. Key findings indicate that ensemble models, especially XGBoost, substantially outperform traditional predictive models. Significant genetic markers such as ADGRF5 is identified as crucial for predicting lung cancer outcomes. In conclusion, ensemble learning using RNA-seq data proves highly effective in predicting lung cancer, suggesting a potential shift towards more precise and personalized treatment approaches. The results advocate for further integration of molecular and clinical data to refine diagnostic models and improve clinical outcomes, underscoring the critical role of advanced molecular diagnostics in enhancing patient survival rates and quality of life. This study lays the groundwork for future research in the application of RNA-sequencing data and ensemble machine learning techniques in clinical settings.

Molecular Conductance Switching Processes through Single Ruthenium Complex Molecules in Self-Assembled Monolayers

  • Seo, So-Hyeon;Lee, Jeong-Hyeon;Bang, Gyeong-Suk;Lee, Hyo-Yeong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.27-27
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    • 2011
  • For the design of real applicable molecular devices, current-voltage properties through molecular nanostructures such as metal-molecule-metal junctions (molecular junctions) have been studied extensively. In thiolate monolayers on the gold electrode, the chemical bonding of sulfur to gold and the van der Waals interactions between the alkyl chains of neighboring molecules are important factors in the formation of well-defined monolayers and in the control of the electron transport rate. Charge transport through the molecular junctions depends significantly on the energy levels of molecules relative to the Fermi levels of the contacts and the electronic structure of the molecule. It is important to understand the interfacial electron transport in accordance with the increased film thickness of alkyl chains that are known as an insulating layer, but are required for molecular device fabrication. Thiol-tethered RuII terpyridine complexes were synthesized for a voltage-driven molecular switch and used to understand the switch-on mechanism of the molecular switches of single metal complexes in the solid-state molecular junction in a vacuum. Electrochemical voltammetry and current-voltage (I-V) characteristics are measured to elucidate electron transport processes in the bistable conducting states of single molecular junctions of a molecular switch, Ru(II) terpyridine complexes. (1) On the basis of the Ru-centered electrochemical reaction data, the electron transport rate increases in the mixed self-assembled monolayer (SAM) of Ru(II) terpyridine complexes, indicating strong electronic coupling between the redox center and the substrate, along the molecules. (2) In a low-conducting state before switch-on, I-V characteristics are fitted to a direct tunneling model, and the estimated tunneling decay constant across the Ru(II) terpyridine complex is found to be smaller than that of alkanethiol. (3) The threshold voltages for the switch-on from low- to high-conducting states are identical, corresponding to the electron affinity of the molecules. (4) A high-conducting state after switch-on remains in the reverse voltage sweep, and a linear relationship of the current to the voltage is obtained. These results reveal electron transport paths via the redox centers of the Ru(II) terpyridine complexes, a molecular switch.

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Taxonomic status of three taxa of Elsholtzia (E. hallasanensis, E. springia, and E. splendens var. fasciflora) (Lamiaceae) based on molecular data

  • Lee, Chang Shook;Hwang, Kung Ae;Kim, Jin Ok;Suh, Hyoung Min;Lee, Nam Sook
    • Korean Journal of Plant Taxonomy
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    • v.41 no.3
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    • pp.259-266
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    • 2011
  • Elsholtzia hallasanensis, E. springia, and E. splendens var. fasciflora (Lamiaceae) were reported recently as new species or new varieties of E. splendens according to their morphological characteristics. To reappraise the taxonomic status of these additional taxa and to determine the relationships between all Korean Elsholtzia taxa except E. saxatilis, which is distributed in North Korea, molecular studies based on the nrDNA (ITS) and cpDNA (rpl16, and trnH-psbA) sequences of seven taxa of Elsholtzia and one outgroup were carried out. The molecular data support that E. angustifolia and E. minima are distinct species from E. splendens and E. ciliata, respectively, because they have several private marker genes and show monophyly. The molecular data also support that E. splendens has a very close taxonomic relationship with both E. hallasanensis and E. springia. We found that E. splendens var. fasciflora, with multiple inflorescence, was based on several private marker genes and on the monophyly of its trees, suggesting that it can be considered as a variety. Elsholtzia springia, with the same sequences and the same morphological characteristics with E. hallasanensis after transplanting, should be treated as a synonym of E. hallasanensis. Moreover, we consider the taxonomic status of E. hallasanensis as E. splendens var. hallasanensis (Y. Lee) N.S. Lee & C.S. Lee, stat. nov.

Molecular Characterization of the HERV-W Env Gene in Humans and Primates: Expression, FISH, Phylogeny, and Evolution

  • Kim, Heui-Soo;Kim, Dae-Soo;Huh, Jae-Won;Ahn, Kung;Yi, Joo-Mi;Lee, Ja-Rang;Hirai, Hirohisa
    • Molecules and Cells
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    • v.26 no.1
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    • pp.53-60
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    • 2008
  • We characterized the human endogenous retrovirus (HERV-W) family in humans and primates. In silico expression data indicated that 22 complete HERV-W families from human chromosomes 1-3, 5-8, 10-12, 15, 19, and X are randomly expressed in various tissues. Quantitative real-time RT-PCR analysis of the HERV-W env gene derived from human chromosome 7q21.2 indicated predominant expression in the human placenta. Several copies of repeat sequences (SINE, LINE, LTR, simple repeat) were detected within the complete or processed pseudo HERV-W of the human, chimpanzee, and rhesus monkey. Compared to other regions (5'LTR, Gag, Gag-Pol, Env, 3'LTR), the repeat family has been mainly integrated into the region spanning the 5'LTRs of Gag (1398 bp) and Pol (3242 bp). FISH detected the HERV-W probe (fosWE1) derived from a gorilla fosmid library in the metaphase chromosomes of all primates (five hominoids, three Old World monkeys, two New World monkeys, and one prosimian), but not in Tupaia. This finding was supported by molecular clock and phylogeny data using the divergence values of the complete HERV-W LTR elements. The data suggested that the HERV-W family was integrated into the primate genome approximately 63 million years (Myr) ago, and evolved independently during the course of primate radiation.

INFRARED EXCESS AND MOLECULAR GAS IN GALACTIC SUPERSHELLS

  • LEE JEONG-EUN;KIM KEE- TAE;KOO BON -CHUL
    • Journal of The Korean Astronomical Society
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    • v.32 no.1
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    • pp.41-53
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    • 1999
  • We have carried out high-resolution observations along one-dimensional cuts through the three Galactic super-shells GS 064-01-97, GS 090-28-17, and GS 174+02-64 in the HI 21 cm and CO J=l-0 lines. By comparing the HI data with IRAS data, we have derived the distributions of the $I_{100}$ and $T_{100}$ excesses, which are, respectively, the 100 ${\mu}m$ intensity and 100 ${\mu}m$ optical depth in excess of what would be expected from HI emission. We have found that both the $I_{100}$ and $T_{100}$ excesses have good correlations with the CO integrated intensity W co in all three supershells. But the $I_{100}$ excess appears to underestimate $H_2$ column density N($H_2$) by factors of 1.5-3.8. This factor is the ratio of atomic to molecular infrared emissivities, and we show that it can be roughly determined from the HI and IRAS data. By comparing the $T_{100}$ excess with $W_{co}$, we derive the conversion factor X $\equiv$ N ($H_2$) /$W_{co}{\simeq}$ 0.26 - 0.66 in the three supershells. In GS 090- 28-17, which is a very diffuse shell, our result suggests that the region with N($H_2$) $\le$ $3 {\times} 10^{20} cm^{-2}$ does not have observable CO emission, which appears to be consistent with previous results indicating that diffuse molecular gas is not observable in CO. Our results show that the molecular gas has a 60/100 ${\mu}m$ color temperature $T_d$ lower than the atomic gas. The low value of $T_d$ might be due either to the low equilibrium temperature or to the lower abundance of small grains, or a combination of both.

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QSPR model for the boiling point of diverse organic compounds with applicability domain (다양한 유기화합물의 비등점 예측을 위한 QSPR 모델 및 이의 적용구역)

  • Shin, Seong Eun;Cha, Ji Young;Kim, Kwang-Yon;No, Kyoung Tai
    • Analytical Science and Technology
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    • v.28 no.4
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    • pp.270-277
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    • 2015
  • Boiling point (BP) is one of the most fundamental physicochemical properties of organic compounds to characterize and identify the thermal characteristics of target compounds. Previously developed QSPR equations, however, still had some limitation for the specific compounds, like high-energy molecules, mainly because of the lack of experimental data and less coverage. A large BP dataset of 5,923 solid organic compounds was finally secured in this study, after dedicated pre-filtration of experimental data from different sources, mostly consisting of compounds not only from common organic molecules but also from some specially used molecules, and those dataset was used to build the new BP prediction model. Various machine learning methods were performed for newly collected data based on meaningful 2D descriptor set. Results of combined check showed acceptable validity and robustness of our models, and consensus approaches of each model were also performed. Applicability domain of BP prediction model was shown based on descriptor of training set.

Exploring cancer genomic data from the cancer genome atlas project

  • Lee, Ju-Seog
    • BMB Reports
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    • v.49 no.11
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    • pp.607-611
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    • 2016
  • The Cancer Genome Atlas (TCGA) has compiled genomic, epigenomic, and proteomic data from more than 10,000 samples derived from 33 types of cancer, aiming to improve our understanding of the molecular basis of cancer development. Availability of these genome-wide information provides an unprecedented opportunity for uncovering new key regulators of signaling pathways or new roles of pre-existing members in pathways. To take advantage of the advancement, it will be necessary to learn systematic approaches that can help to uncover novel genes reflecting genetic alterations, prognosis, or response to treatments. This minireview describes the updated status of TCGA project and explains how to use TCGA data.

A Lattice Model Based on Molecular Clusters for Supercritical Fluids (초임계 유체를 위한 분자 클러스터 기반의 격자모델)

  • Shin, Moon-Sam
    • Proceedings of the KAIS Fall Conference
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    • 2010.05b
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    • pp.961-964
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    • 2010
  • A semi-empirical fluctuation term is presented to improve a classical equation of state (EOS) for volumetric properties in the critical region. The term is based on the two assumptions: (1) The Helmholtz energy is individually divided into classical and long-range density fluctuation contribution (2) All molecules form cluster near the critical region due to long-range density fluctuation. To formulate such molecular cluster, we extended the Veytsman statistics originally developed for the cluster due to hydrogen bonding. The probability function in the statistics is modified to represent the characteristics of long-range density fluctuation vanishing far from critical region. The proposed fluctuation contribution was incorporated into the Sanchez-Lacombe EOS and the combined model with 6 adjustable parameters has been tested against experimental VLE data. The combined model is found to well represent flatten critical isotherm for methane and top of the coexistence curve for the tested components. The prediction results for caloric data are in good agreement with the experimental data.

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