• Title/Summary/Keyword: R-maps

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Hologram and Receptor-Guided 3D QSAR Analysis of Anilinobipyridine JNK3 Inhibitors

  • Chung, Jae-Yoon;Cho, Art-E;Hah, Jung-Mi
    • Bulletin of the Korean Chemical Society
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    • v.30 no.11
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    • pp.2739-2748
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    • 2009
  • Hologram and three dimensional quantitative structure activity relationship (3D QSAR) studies for a series of anilinobipyridine JNK3 inhibitors were performed using various alignment-based comparative molecular field analysis (COMFA) and comparative molecular similarity indices analysis (CoMSIA). The in vitro JNK3 inhibitory activity exhibited a strong correlation with steric and electrostatic factors of the molecules. Using four different types of alignments, the best model was selected based on the statistical significance of CoMFA ($q_2\;=\;0.728,\;r_2\;=\;0.865$), CoMSIA ($q_2\;=\;0.706,\;r_2\;=\;0.960$) and Hologram QSAR (HQSAR: $q_2\;=\;0.838,\;r_2\;=\;0.935$). The graphical analysis of produced CoMFA and CoMSIA contour maps in the active site indicated that steric and electrostatic interactions with key residues are crucial for potency and selectivity of JNK3 inhibitors. The HQSAR analysis showed a similar qualitative conclusion. We believe these findings could be utilized for further development of more potent and selective JNK3 inhibitors.

Strategic investigation of development of mine reclamation technology based on third-stage road map (3단계 기술개발 로드맵에 따른 광해방지 기술 발전 전략 고찰)

  • Yang, Injae;Ji, Wonhyun;Park, Jayhyun
    • Journal of the Korean Society of Mineral and Energy Resources Engineers
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    • v.55 no.6
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    • pp.538-545
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    • 2018
  • It is necessary to develop systematic mine reclamation technology according to mid- and long-term road maps to effectively promote mine reclamation projects. Evaluating the main achievements of the mine reclamation technology according to the first and second-stage roadmaps revealed the necessity of sharing the R&D achievements. In this study, by reviewing the key issues of the third-stage roadmap and considering the major technical needs of in-and-out customers, the strategic development direction of sustainable mine reclamation technology through expanded sharing of R&D achievement was examined.

Lightweight Deep Learning Model for Heart Rate Estimation from Facial Videos (얼굴 영상 기반의 심박수 추정을 위한 딥러닝 모델의 경량화 기법)

  • Gyutae Hwang;Myeonggeun Park;Sang Jun Lee
    • IEMEK Journal of Embedded Systems and Applications
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    • v.18 no.2
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    • pp.51-58
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    • 2023
  • This paper proposes a deep learning method for estimating the heart rate from facial videos. Our proposed method estimates remote photoplethysmography (rPPG) signals to predict the heart rate. Although there have been proposed several methods for estimating rPPG signals, most previous methods can not be utilized in low-power single board computers due to their computational complexity. To address this problem, we construct a lightweight student model and employ a knowledge distillation technique to reduce the performance degradation of a deeper network model. The teacher model consists of 795k parameters, whereas the student model only contains 24k parameters, and therefore, the inference time was reduced with the factor of 10. By distilling the knowledge of the intermediate feature maps of the teacher model, we improved the accuracy of the student model for estimating the heart rate. Experiments were conducted on the UBFC-rPPG dataset to demonstrate the effectiveness of the proposed method. Moreover, we collected our own dataset to verify the accuracy and processing time of the proposed method on a real-world dataset. Experimental results on a NVIDIA Jetson Nano board demonstrate that our proposed method can infer the heart rate in real time with the mean absolute error of 2.5183 bpm.

An Experimental Study on Flow Characteristics of R134a in a Small Diameter Tube (세관내 R-134a의 유동특성에 관한 실험적 연구)

  • Son, Chang-Hyo
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.8 no.6
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    • pp.1307-1312
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    • 2007
  • The flow characteristics of R-134a in a small diameter tube was investigated experimentally. An experimental apparatus was consisted of a magnetic gear pump, an evaporator, a sight-glass, a condenser and a measurement instruments. The sight-glass for flow pattern observations was located at the inlet and outlet of the evaporator. The experiment was carried out to show the flow characteristics of R-134a in a small diameter tube. Mass flux of refrigerants was ranged from 100 to 1000 $kg/m^2s$, the saturation temperature was $30^{\circ}C$. In the flow patterns during evaporation, the annular flow in a 2 mm inner diameter tube occurred at a relatively lower quality and mass velocity, compared to that in a 8 mm inner diameter tube. The evaporation flow pattern in a small diameter tube has been shown major deviations with the Baker, Mandhane and Taitel-Dutler's flow pattern maps but it was similar to the Dobson's flow pattern map.

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Perfusion MR Imaging in Gliomas: Comparison with Histologic Tumor Grade

  • Sun Joo Lee;Jae Hyoung Kim;Young Mee Kim;Gyung Kyu Lee;Eun Ja Lee;In Sung Park;Jin-Myung Jung;Kyeong Hun Kang;Taemin Shin
    • Korean Journal of Radiology
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    • v.2 no.1
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    • pp.1-7
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    • 2001
  • Objective: To determine the usefulness of perfusion MR imaging in assessing the histologic grade of cerebral gliomas. Materials and Methods: In order to determine relative cerebral blood volume (rCBV), 22 patients with pathologically proven gliomas (9 glioblastomas, 9 anaplastic gliomas and 4 low-grade gliomas) underwent dynamic contrast-enhanced T2*-weighted and conventional T1- and T2-weighted imaging. rCBV maps were obtained by fitting a gamma-variate function to the contrast material concentration versus time curve. rCBV ratios between tumor and normal white matter (maximum rCBV of tumor / rCBV of contralateral white matter) were calculated and compared between glioblastomas, anaplastic gliomas and low-grade gliomas. Results: Mean rCBV ratios were 4.90°±1.01 for glioblastomas, 3.97°±0.56 for anaplastic gliomas and 1.75°±1.51 for low-grade gliomas, and were thus significantly different; p < .05 between glioblastomas and anaplastic gliomas, p < .05 between anaplastic gliomas and low-grade gliomas, p < .01 between glioblastomas and low-grade gliomas. The rCBV ratio cutoff value which permitted discrimination between high-grade (glioblastomas and anaplastic gliomas) and low-grade gliomas was 2.60, and the sensitivity and specificity of this value were 100% and 75%, respectively. Conclusion: Perfusion MR imaging is a useful and reliable technique for estimating the histologic grade of gliomas.

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A study on the Evaluation of Real-Time Map Update Technology for Automated Driving (자율주행 지원을 위한 정밀도로지도 갱신기술 평가를 위한 기준 도출 연구)

  • PARK, Yu-Kyung;KANG, Won-Pyung;CHOI, Ji-Eun;KIM, Byung-Ju
    • Journal of the Korean Association of Geographic Information Studies
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    • v.22 no.3
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    • pp.146-154
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    • 2019
  • Recently, a system has been developed and applied to establish and utilize HD maps through R&D. The biggest problem, however, is the lack of a proper HD map update system, which requires the development and adoption of such a system as soon as possible. In addition, in the case of updating HD maps for automated driving, integrity and accuracy of maps are required for safe driving, so an test of these technologies and data quality is required. In April 2018, the Ministry of Land, Infrastructure and Transport implemented a project to 'Develop Technology to Demonstrate and Share the Instant Road Change Detection and Update Technology for automated driving. This paper analyzed the technology for updating map based on the investigation and analysis of relevant technology trends for the development of integrated demonstration and sharing technology of road change rapid detection and updating map technology, and put forward the criteria for road change rapid detection, integrated quality verification of update technology. It is expected that the results of this study will contribute to quality assurance of HD maps that support safety driving for automated vehicles.

Quantification of Gadolinium Concentration Using GRE and UTE Sequences

  • Park, So Hee;Nam, Yoonho;Choi, Hyun Seok;Woo, Seung Tae
    • Investigative Magnetic Resonance Imaging
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    • v.21 no.3
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    • pp.171-176
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    • 2017
  • Purpose: To compare different MR sequences for quantification of gadolinium concentration. Materials and Methods: Gadolinium contrast agents were diluted into 36 different concentrations. They were scanned using gradient echo (GRE) and ultrashort echo time (UTE) and R1, $R2^*$ and phase values were estimated from collected data. For analysis, ROI masks were made for each concentration and then ROI value was measured by mean and standard deviation from the estimated quantitative maps. Correlation analysis was performed and correlation coefficient was calculated. Results: Using GRE sequence, R1 showed a strong linear correlation at concentrations of 10 mM or less, and $R2^*$ showed a strong linear correlation between 10 to 100 mM. The phase of GRE generally exhibited a negative linear relationship for concentrations of 100 mM or less. In the case of UTE, the phase had a strong negative linear relationship at concentrations 100 mM or above. Conclusion: R1, which was calculated by conventional GRE, showed a high performance of quantification for lower concentrations, with a correlation coefficient of 0.966 (10 mM or less). $R2^*$ showed stronger potential for higher concentrations with a correlation coefficient of 0.984 (10 to 100 mM), and UTE phase showed potential for even higher concentrations with a correlation coefficient of 0.992 (100 mM or above).

SOM-Based $R^{*}-Tree$ for Similarity Retrieval (자기 조직화 맵 기반 유사 검색 시스템)

  • O, Chang-Yun;Im, Dong-Ju;O, Gun-Seok;Bae, Sang-Hyeon
    • The KIPS Transactions:PartD
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    • v.8D no.5
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    • pp.507-512
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    • 2001
  • Feature-based similarity has become an important research issue in multimedia database systems. The features of multimedia data are useful for discriminating between multimedia objects. the performance of conventional multidimensional data structures tends to deteriorate as the number of dimensions of feature vectors increase. The $R^{*}-Tree$ is the most successful variant of the R-Tree. In this paper, we propose a SOM-based $R^{*}-Tree$ as a new indexing method for high-dimensional feature vectors. The SOM-based $R^{*}-Tree$ combines SOM and $R^{*}-Tree$ to achieve search performance more scalable to high-dimensionalties. Self-Organizingf Maps (SOMs) provide mapping from high-dimensional feature vectors onto a two-dimensional space. The map is called a topological feature map, and preserves the mutual relationships (similarity) in the feature spaces of input data, clustering mutually similar feature vectors in neighboring nodes. Each node of the topological feature map holds a codebook vector. We experimentally compare the retrieval time cost of a SOM-based $R^{*}-Tree$ with of an SOM and $R^{*}-Tree$ using color feature vectors extracted from 40,000 images. The results show that the SOM-based $R^{*}-Tree$ outperform both the SOM and $R^{*}-Tree$ due to reduction of the number of nodes to build $R^{*}-Tree$ and retrieval time cost.

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3D-QSAR Analyses on the Inhibition Activity of 4-($R_1$)-Benzyl Alcohol and 4-($R_2$)-Phenol Analogues Against Tyrosinase (4-($R_1$)-Benzyl alcohol 및 4-($R_2$)-Phenol 유도체들의 Tyrosinase 활성 저해에 대한 3D-QSAR 분석)

  • Kim, Sang-Jin;Lee, Myoung-Hee
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.35 no.4
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    • pp.271-276
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    • 2009
  • The 3-dimensional quantitative structure-activity relationships (3D-QSARs) models between the substituents with changing groups ($R_1$ & $R_2$) of 4-($R_1$)-benzyl alcohol and 4-($R_2$)-phenol derivatives as substrate molecule and their inhibitory activities against tyrosinase were derived and discussed quantitatively. The optimized CoMSIA 2 model have best predictability and fitness ($r^2\;=\;0.858$ & $q^2\;=\;0.951$). The contour maps of optimized CoMSIA 2 model showed that, the inhibitory activities of the analogues against tyrosinase were expected to increase when hydrophobic favor, negative charge favor, steric disfavor and hydrogen bond donor disfavor groups were substituted at the $R^2$ position. When the positive charge and the hydrogen bond donor favor groups were substituted at the $R_1$ position, it is predicted that the substituents will be able to increase the inhibitory activity. However, hydrogen bond acceptor did not affect inhibitory activities of tyrosinase.

3D-QSAR Analysis on the Fungicidal Activity with N-Phenylbenzenesulfonamide Analogues against Phytophthora blight (Phytophthora capsici) and Prediction of Higher Active Compounds (고추역병균(Phytophthora capsici)에 대한 N-Phenylbenzenesulfonamide 유도체들의 살균활성에 관한 3D-QSAR 분석과 고활성 화합물의 예측)

  • Soung, Min-Gyu;Kang, Kyu-Young;Cho, Yun-Gi;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.50 no.3
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    • pp.192-197
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    • 2007
  • 3D-QSARs on the fungicidal activity of N-phenylbenzenesulfonamide and N-phenyl-2-thienylsulfonamide analogues (1-37) against Phytophthora blight (Phytophthora capsici) were studied quantitatively using CoMFA and CoMSIA methods. The statistical results of the optimized CoMFA (2) model ($r^2_{cv.}(q^2)$ = 0.692 & $r^2_{ncv.}$= 0.965) show better predictability and fitness than CoMSIA (2) model ($r^2_{cv.}(q^2)$ = 0.796 & $r^2_{ncv.}$= 0.958). The fungicidal activities according to the information of the optimized CoMFA (2) model were dependent upon the steric and electrostatic fields of the molecules. Therefore, from the contribution contour maps of CoMFA (2) model, it is expected that 63% contribution was caused by the steric bulk of meta-substituent ($R_1$) on the S-phenyl ring. Also, the other contribution level of 32.9% was represented by the positive charged $R_4-group$ ($R_1$) on the N-phenyl ring and para-substituent ($R_1$) on the S-phenyl ring. A series of higher active compounds, $R_1$= 3-decyl substituent ($pred.pI_50$= 5.88) etc. were predicted based on the findings.