• Title/Summary/Keyword: 기하 활성 모델

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Optimization Method of Differential Evolution-based Radial Basis Function Neural Networks (차분 진화 알고리즘 기반 방사형 기저 함수 신경회로망 분류기의 최적화 방법)

  • Ma, Chang-Min;Oh, Sung-Kwun
    • Proceedings of the KIEE Conference
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    • 2011.07a
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    • pp.1962-1963
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    • 2011
  • 본 연구에서는 패턴분류를 위해 최적화된 방사형 기저 함수 신경회로망(Radial Basis Function Neural Networks) 분류기를 제안한다. RBFNN은 입력층, 은닉층, 출력층의 3층 구조로 되어 있으며 Multi Dimension, Predictive ability, Robustness한 특징이 있다. RBFNN의 은닉층에는 기존의 활성함수가 아닌 Fuzzy C-means 클러스터링 알고리즘을 사용하여 입력 데이터의 특성을 고려한 적합도를 사용하였다. RBFNN은 은닉층의 노드수와 FCM 클러스터링의 퍼지화 계수, 연결가중치의 다항식 타입이 모델의 성능의 향상에 영향을 미치기 때문에 최적화가 필요하며 본 논문에서는 Differential Evolution(DE) 알고리즘을 사용하여 모델의 구조 및 파라미터를 최적화시켜 모델의 성능을 향상시켰다. 제안된 모델을 평가하기 위해 패턴분류에 많이 사용되는 Iris 데이터와 Wine 데이터를 이용하였다.

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3D-QSAR Analysis on the Photosystem II Inhibition Activity of 6-Bromobenzo[4,5]imidazo[$1,2{\alpha}$]pyridin-8,9-dione Analogues (6-Bromobenzo[4,5]imidazo[$1,2{\alpha}$pyridin-8,9-dione 유도체들의 Photosystem II 저해활성에 관한 3D-QSAR 분석)

  • Kim, Se-Gon;Cho, Yun-Gi;Hwang, Tae-Yeon;Sung, Nack-Do
    • The Korean Journal of Pesticide Science
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    • v.12 no.1
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    • pp.18-23
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    • 2008
  • 3D-QSAR on the inhibitory activities of 6-bromobenzo-[4,5]imidazo[$1,2{\alpha}$]-pyridin-8,9-diones analogues as substrate molecule were studied quantitatively using CoMFA and CoMSIA methods. The statistical values of CoMFA model was better predictability and fitness than CoMSIA model. The inhibitory activities according to the optimized CoMFA 2 model were dependent on the steric field (90.4%). From the CoMFA contour maps, it is found that the branched side chain as R-group will be directly attached to the carbon atom (ipso carbon) of substituent, the inhibitory activities had expected to increase. The positive charge favor groups were placed in the position between imidazol ring and pyridine ring, the inhibitory activities would increase. And if the groups of liner type will be substituted, hydrophilic favor group would raise inhibitory activities.

Adsorption Characteristics of Acetone, Benzene, and Metylmercaptan by Activated Carbon Prepared from Waste Citrus Peel (폐감귤박으로 제조한 활성탄에 의한 아세톤, 벤젠 및 메틸메르캅탄의 흡착특성)

  • Kam, Sang-Kyu;Kang, Kyung-Ho;Lee, Min-Gyu
    • Applied Chemistry for Engineering
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    • v.28 no.6
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    • pp.663-669
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    • 2017
  • Activated carbons were prepared from waste citrus peels using KOH, NaOH, and $ZnCl_2$ as activating chemicals. They were prepared at optimal conditions including the chemical ratio of 300%, activation time of 1.5h, and activation temperature of $900^{\circ}C$ for KOH, $700^{\circ}C$ for NaOH, and $600^{\circ}C$ for $ZnCl_2$, which were named as ACK, ACN, and ACZ, respectively. Using the activated carbons, their adsorption characteristics for three target gases such as acetone, benzene, and methylmercaptan (MM) were carried out in a batch reactor. The adsorption behavior of activated carbons for three target gases followed the Freundlich model better than the Langmuir. And the experimental kinetic data followed a pseudo-second-order kinetic model more than pseudo-first-order one. Following the intraparticle diffusion model suggested that the external mass transfer and particle diffusion were occurred simultaneously during the adsorption process.

A Design and Implementation of Process Controller for BMW (Bacteria Mineral Water) Plant (비엠 활성수 플랜트의 공정제어기 설계 및 구현)

  • Lee, Sang-Yun
    • Journal of the Institute of Convergence Signal Processing
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    • v.16 no.2
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    • pp.74-82
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    • 2015
  • In this study, a BMW plant process control system model which produces BMW is suggested and the BMW plant process controller with the following functions is developed. The first function is to operate the electronic overload relays to stop the blower for a certain period of time and to re-operate it again when the blower is overloaded. The second function is to close the motor operated valve automatically in case of power failure to prevent the circulation from the guided tank to the compost throwing tank and to block leak from the compost throwing tank due to the failure of ball valve. The third function is to transfer produced BMW from the concentration tank to 4 storage tanks for automatic managing of the BMW output. A device to measure the signal of the BMW plant process controller and a test equipment are developed. The designed BMW plant process controller is checked to see if it operates correctly according to the design specifications. The sequence control method based on BMW plant process controller is developed at a low cost in this study, so it is expected to bring improvements in the stability and the efficiency of system and to cause reductions in the operation and the management costs in the future.

The Effect of Bee Venom Acupuncture on Protease Activity and Free Radical Damage in Synovial Fluid from Collagen-induced Arthritis in Rats (쥐의 Collagen 유발 관절염의 활액에서 단백분해효소의 활성 및 유리기 손상에 미치는 봉독약침의 억제효과)

  • Kim, Min-jeong;Park, Sang-dong;Lee, A-ram;Jang, Jun-hyouk;Kim, Kyung-ho;Kim, Kap-sung
    • Journal of Acupuncture Research
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    • v.19 no.5
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    • pp.161-175
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    • 2002
  • 봉독은 거풍습(祛風濕), 지통(止痛), 해경평천(解痙平喘), 소종강압(消腫降壓)의 효능으로 오랫동안 통증과 염증성 질환을 치료하는데 이용되어져 왔는데 최근에는 면역관련질환치료에 응용하여 좋은 결과가 보고되고 있다. 본 연구는 Rheumatoid arthritis와 유사한 형태의 대표적 실험모델로 알려진 실험용 쥐의 Type II collagen 유발 관절염(Type II collagen induced arthritis : CIA)의 활액에서 봉독약침이 단백분해효소와 유리기 손상에 미치는 면역억제효과를 알아보기 위해 실행되었다. 본 실험에서는 CIA가 유발된 실험용 쥐에 봉독약침($5{\mu}l/kg$)을 처리한 실험군과 대조군으로서 CIA 유발 쥐에 생리식염수를 처리한 군(CIA군), 정상적인 쥐에 생리식염수로 처리한 군(정상군)으로 구분하여 각 군들의 일련의 표본에서 세포질, 리소좀, 간질성 단백분해효소의 활성과 유리기로 인한 단백질 손상정도를 (carbonyl 유도체를 측정하여)서로 비교하였다. 그 결과 각 군의 활액표본에서는 많은 종 류의 단백분해효소가 정산군보다 CIA군에서 유의하게 활성이 높았으며, 봉독약침($5{\mu}l/kg$)을 처리한 군에서 효소들의 활성이 유의하게 감소하였다. 그러나 각 군들의 혈장표본에서는 이 효소들의 활성은 서로 유의한 차이가 없었다. 이는 혈장속의 면역반응과 연관되리라고 추측되는 단백분해효소들의 활성변화는 병인적 측면에서 RA와 같은 염증성관절 질환과는 큰 상관성이 없다는 것을 의미한다. Carbonyl 유도체 측정으로 평가한 유리기 손상은 활액과 현장표본에서 모두 봉독약침($5{\mu}l/kg$)을 처리한 군에서 유의성 있게 감소하였다. 이상의 결과로 볼 때 단백분해효소와 유리기의 활성은 RA의 병인학적 측면에서 모두 잠재적인 중요성을 가지고 있으므로 향후 새로운 RA치료법은 이들 단백분해효소의 활성저해와 유리기의 소거능을 포함해야 한다고 사료되며 봉독약침은 이러한 2가지 효능을 포함한 효과적인 치료라고 평가된다.

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CoMFA and CoMSIA Analysis on the Fungicidal Activity against Damping-off (Pythium ultimum) with N-phenylbenzenesulfonamide Analogues (N-phenylbenzenesulfonamide 유도체들에 의한 모잘록병균 (Pythium ultimum)의 살균활성에 관한 CoMFA 및 CoMSIA분석)

  • Jang, Seok-Chan;Kang, Kyu-Young;Sung, Nack-Do
    • The Korean Journal of Pesticide Science
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    • v.11 no.1
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    • pp.8-17
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    • 2007
  • Three-dimensional quantitative structure-activity relationships (3D-QSARs) on the fungicidal activity against damping-off (Pythium ultimum) with N-phenylbenzenesulfonamide and N-phenyl-2-thienylsulfonamide analogues (1-34) were studied quantitatively using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indeces analysis) methodologies. On the whole, the statistical qualities of CoMSIA models with field fit alignment (FF1-FF5) were slightly higher than that of atom based fit alignment (AF1-AF5) but, the deviations of statistical quality between two alignments in case of CoMFA models were slightly lower. The statistical results of CoMFA and CoMSIA model showed that the optimized CoMSIA model (FF1: $r_{cv.}^2\;(q^2)=0.674$ & $r_{ncv.}^2=0.964$) for damping-off is better predictability and fitness for fungicidal activities than CoMFA model (AF5: $r_{cv.}^2\;(q^2)=0.616$ & $r_{ncv.}^2=0.930$). The fungicidal activities according to the information of the CoMSIA (FF1) model were dependence upon the electrostatic and hydrophobic field of the N-phenylbenzene sulfonamide analogues. Therefore, from the results of graphical analyses on the contour maps with CoMSIA (FF3) model, it is expected that the characters of R4-substituent on the N-phenyl ring as hydrophobic and hydrogen bond acceptor will be contributed to the fungicidal activity against damping-off.

Evaluation of Elderly and Disable walker Using Bromechanical Human Model (생체역학 모델을 이용한 노인 및 장애인용 보행기 평가)

  • Shin, Jun Ho;Park, Yong Hyun;Kim, Young-Kwan;Kim, Yoon Hyuk
    • Proceedings of the Korea Contents Association Conference
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    • 2011.05a
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    • pp.263-264
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    • 2011
  • 본 연구에서는 한국인 표준체형과 유사한 사람의 의료 영상 자료를 이용하여 인체 골격계 모델을 개발하였다. 이를 동역학 해석 상용 소프웨트어인 RecurDynTM에 탑재하여 인체 시뮬레이션 모듈을 개발하였고 타당성을 검증을 거친 후 노인의 앉기-서기 및 보행 동작해석에 적용하였다. 노인이 보행기(elderly walker)를 사용하여 앉기-서기 동작을 할 때 하지관절 기구학의 변화는 미비하였으나 보행 시 각 관절의 가동범위가 감소하였고 동작시간이 증가하였다. 또한 근전도 해석결과 일부 발목 주변 근육들과 햄스트링 근육에서 근활성치가 줄거나 활성시간이 줄었다. 이러한 변화는 보행기를 이용한 보행 때 하지의 기여도가 감소했기 때문에 발생하는 현상으로 생각된다. 본 연구를 통해 얻어진 시뮬레이션 기술은 다양한 인체 정보 콘텐츠분야에 널리 활용될 것으로 생각된다.

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The Influence of the Substituents for the Insecticidal Activity of N' -phenyl-N-methylformamidine Analogues against Two Spotted Spider Mite (Tetranychus urticae) (두 점박이 응애(Tetranychus urticae) 에 대한 N'-phenyl-N-methylformamidine 유도체의 살충활성에 미치는 치환기들의 영향)

  • Lee, Jae-Whang;Choi, Won-Seok;Lee, Dong-Guk;Chung, Kun-Hoe;Ko, Young-Kwan;Kim, Tae-Joon;Sung, Nack-Do
    • The Korean Journal of Pesticide Science
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    • v.14 no.4
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    • pp.319-325
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    • 2010
  • To understand the influences of the substituents ($R_1{\sim}R_4$) on insecticidal activity of N'-phenyl-N-methylformamidine analogues (1~22) against two spotted spider mite (Tetranychus urticae), comparative molecular field analysis (CoMFA) model and comparative molecular similarity indices analysis (CoMSIA) model as three dimensional quantitative structure-activity relationships (3D-QSARs) model were derived and discussed quantitatively. From the results, the correlativity and predictability ($r^2{_{cv.}}=0.575$ and $r^2{_{ncv.}}=0.945$) of the CoMFA 1 model were higher than those of the rest models. The the CoMFA 1 and CoMSIA 1 model with the sensitivity of the perturbation and the prediction produced ($d_q{^{2'}}/dr^2{_{yy}}=1.071{\sim}1.146$ & $q^2=0.545{\sim}0.626$) by a progressive scrambling analysis were not dependent on chance correlation. The insecticidal activities from the optimized CoMFA 1 model were depend upon the steric field (62.5%), electrostatic field (28.9%), and hydrophobic field (8.6%) of N'-phenyl-N-methylformamidine analogues. Therefore, the inhibitory activities with optimized CoMFA 1 model were dependent upon steric factor. From the contour maps of the optimized models, it is predicted that the structural distinctions that contribute to the insecticidal activity will be able to applied new potent insecticides design.

HQSAR Analyses on the Tyrosinase Inhibitory Activity of Phenyl-2,2'-methylenebis(cyclohexane-1,3-dione) Analogues (Phenyl-2,2'-methylenebis(cyclohexane-1,3-dione) 유도체의 Tyrosinase 저해활성에 관한 HQSAR 분석)

  • Kim, Sang-Jin;Kim, Young-Ok;Cho, Yoon-Ki;Choi, Won-Seok;Sung, Nack-Do
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.36 no.3
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    • pp.199-205
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    • 2010
  • The structure-activity relationships (SARs) between a series of phenyl-2,2'-methylenebis(cyclohexane-1,3-dione) analogues (1-22) as substrate molecules and their inhibitory activity against tyrosinase were studied quantitatively using molecular hologram quantitative structure-activity relationships (HQSARs). Based on the results, new compounds with the increased tyrosinase inhibitory activity were designed. In addition, statistically favored E-2 model ($q_2$ = 0.564 & $r_2$ = 0.929) was derived. It is predicted that the activity of the most potent one (P1) of compounds newly designed by the optimized HQSAR E-2 model was $Pred.pI_{50}$ = 5.48 and the predicted inhibitory activity was about 13.4 fold higher than that of the kojic acid used as standard compound.

3D-QSAR Analysis on the Insecticidal Activities of N-Substituents on Imidazol Ring in Imidacloprid Analogues (Imidacloprid 유도체 중 imidazol 고리상 N-치환체들의 살충활성에 대한 3D-QSAR 분석)

  • Soung, Min-Gyu;Kim, Se-Gon;Soog, Nack-Do
    • The Korean Journal of Pesticide Science
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    • v.11 no.3
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    • pp.131-137
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    • 2007
  • CoMFA and CoMSIA model were derived and reviewed on the insecticidal activities of N-substituents (X) on the imidazol ring in imidacloprid analogues at the different alignment condition. Regarding the predictability ($q^2$ or $r_{cv.}^2$) and fitness ($r_{ncv.}^2$) of the two optimized models, the atom based fit (A) alignments were better than that of the field fit (F) alignment and, on the other hand, CoMSIA (A10) model was better than CoMFA (A5) model. Also, from the most optimized CoMSIA (A10) model, the insecticidal activity by N-substituents (X) was dependence on the electrostatic field and H-bond acceptor field. It is predicted that, from the contour maps with optimized CoMSIA (A10) model, H-bond acceptors at ortho- and meta- position will contribute for improving of insecticidal activities and, as the functional groups of carbonyl oxygen atom are charged negatively and positively charged at the ortho- position of benzyl group, insecticidal activities will also be improved.