scholarly journals QUANTITATIVE RELATIONSHIP OF ELECTRONIC STRUCTURE AND INHIBITION ACTIVITY OF CURCUMIN ANALOGS ON ETHOXYRESORUFIN o-DEALKYLATION (EROD) REACTION

2010 ◽  
Vol 7 (1) ◽  
pp. 78-82
Author(s):  
Harno Dwi Pranowo ◽  
Iqmal Tahir ◽  
Ajidarma Widiatmoko
Keyword(s):  
Electronic Structure ◽  
Statistical Parameter ◽  
Quantitative Relationship ◽  
Equation Model ◽  
Semiempirical Methods ◽  
Inhibition Activity ◽  
Net Charge ◽  
Curcumin Analogs ◽  
Leave One Out ◽  
Relationship Of

Electronic structure and inhibition activity relationship study of curcumin analogs has been established for 29 curcumin analogs on Ethoxyresorufin O-Dealkylation (EROD) reaction using atomic net charge descriptor based on AM1 semiempirical calculations. The QSAR (Quantitative Structure and Activities Relationships) equation model was determined by statistical parameter from multiple regression analysis and leave-one-out cross validation method. The best QSAR equation was described:   Keywords: curcumin, QSAR, descriptor, atomic net charge, semiempirical methods.

scholarly journals Structure Activity Relationship Analysis of Antioxidant Activity of Simple Benzene Carboxylic Acids Group Based on Multiple Linear Regression

2018 ◽  
Vol 34 (5) ◽  
pp. 2656-2660 ◽  
Author(s):  
Fadilah Fadilah ◽  
Ade Arsianti ◽  
Arry Yanuar ◽  
Retnosari Andrajati ◽  
Rafika Indah Paramita ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Chemical Properties ◽  
Quantitative Relationship ◽  
Equation Model ◽  
Log P ◽  
Benzoic Acid Derivatives ◽  
Relationship Analysis ◽  
Relationship Of ◽  
The Relationship ◽  
Structure And Activity

A multivariate analysis of the quantitative relationship of antioxidant structure and activity of a series of benzoic acid derivatives based on computational chemical properties was calculated. The parameters were obtained from the optimized structure of ionization pKa and hydrophobic ClogP while the compound activity was obtained from the literature. Analysis of the relationship between antioxidant activity and chemical properties of the compound was performed with the SPSS 21 program. The analysis result gives the best equation model as follows: Log 1 / IC50 = –1.514 + 0,516 log P + 0.087 pKa (n = 10 r = 0,962 SE = 0,301 Fcalc./Ftable = 1,422).

scholarly journals QSPR study on the gas/particle partition coefficient of PCBs by using molecular distance-edge vector index

2014 ◽  
Vol 79 (8) ◽  
pp. 965-975 ◽  
Author(s):  
Long Jiao ◽  
Xiaofei Wang ◽  
LI. Hua ◽  
Yunxia Wang
Keyword(s):  
Partition Coefficient ◽  
Cross Validation ◽  
External Validation ◽  
Quantitative Relationship ◽  
Structure Property ◽  
Prediction Ability ◽  
Vector Index ◽  
Artificial Neural Network Ann ◽  
Leave One Out ◽  
Edge Vector

The quantitative structure property relationship (QSPR) for gas/particle partition coefficient, Kp, of polychlorinated biphenyls (PCBs) was investigated. Molecular distance-edge vector (MDEV) index was used as the structural descriptor of PCBs. The quantitative relationship between the MDEV index and log Kp was modeled by multivariate linear regression (MLR) and artificial neural network (ANN) respectively. Leave one out cross validation and external validation were carried out to assess the prediction ability of the developed models. When the MLR method is used, the root mean square relative error (RMSRE) of prediction for leave one out cross validation and external validation is 4.72 and 8.62 respectively. When the ANN method is employed, the prediction RMSRE of leave one out cross validation and external validation is 3.87 and 7.47 respectively. It is demonstrated that the developed models are practicable for predicting the Kp of PCBs. The MDEV index is shown to be quantitatively related to the Kp of PCBs.

Bulk-surface relationship of an electronic structure for high-throughput screening of metal oxide catalysts

2016 ◽  
Vol 370 ◽  
pp. 279-290 ◽  
Author(s):  
Joshua Minwoo Kweun ◽  
Chenzhe Li ◽  
Yongping Zheng ◽  
Maenghyo Cho ◽  
Yoon Young Kim ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Metal Oxide ◽  
High Throughput ◽  
High Throughput Screening ◽  
Oxide Catalysts ◽  
Metal Oxide Catalysts ◽  
Bulk Surface ◽  
Relationship Of

Quantitative relationship of pre-existing antibodies to the excretion of attenuated poliovirus

1964 ◽  
Vol 65 (6) ◽  
pp. 1103
Author(s):  
William Paul Glezen ◽  
George A. Lamb ◽  
Tom D.Y. Chin ◽  
Herbert A. Wenner
Keyword(s):  
Quantitative Relationship ◽  
Relationship Of

RESOURCE UTILIZATION BY THE SOUTHERN PINE BEETLE, DENDROCTONUS FRONTALIS (COLEOPTERA: SCOLYTIDAE)

1976 ◽  
Vol 108 (4) ◽  
pp. 353-362 ◽  
Author(s):  
Robert N. Coulson ◽  
Adil M. Mayyasi ◽  
J. L. Foltz ◽  
F. P. Hain ◽  
W. C. Martin
Keyword(s):  
Pinus Taeda ◽  
Resource Utilization ◽  
Loblolly Pine ◽  
Quantitative Relationship ◽  
Dendroctonus Frontalis ◽  
Adult Density ◽  
Pine Beetle ◽  
Basal Portion ◽  
Relationship Of ◽  
The Relationship

AbstractThe process of resource utilization by Dendroctonus frontalis Zimmerman attacking loblolly pine, Pinus taeda L., was investigated. The quantitative relationship of attacking parent adult D. frontalis as a function of the normalized infested bole height is described by the model y = Ax(1−x)eBx. Greatest attack density occurs at the mid-bole of the tree and tapers toward the top and bottom. Gallery length (and hence eggs)/100 cm2 was independent of attack density. The relationship between gallery length (or eggs) per parent adult and parent adult density is described by the exponential decay curve y = AeBx, indicating that gallery length and egg population density are controlled by a density dependent compensatory feedback process operating instantaneously. Further support for the mechanism was obtained by analyzing the gallery length per parent adult at different locations on the infested bole. The relationship is described by the model y = [AeBx]/[x(1−x)] and indicates that gallery construction and egg population per attacking beetle increase in the upper and basal portion of the bole. The result is a uniform amount of food and space per individual of the developing population.

scholarly journals S-N Curve and Quantitative Relationship of Single-Spot and Multi-Spot Weldings

2020 ◽  
Vol 19 (3) ◽  
pp. 482-493
Author(s):  
L. Yang ◽  
B. Yang ◽  
G. W. Yang ◽  
S. N. Xiao ◽  
T. Zhu ◽  
...  
Keyword(s):  
Quantitative Relationship ◽  
Single Spot ◽  
Relationship Of

scholarly journals ANALYSIS OF AFFECTING FACTORS ON PURCHASE DECISION OF SPORT SHOES "FAKE PRODUCT" OF GOLD'S GYM CONSUMERS IN WEST JAKARTA

2021 ◽  
Vol 2 (4) ◽  
pp. 537-550
Author(s):  
Christina Catur Widayati ◽  
Sarton Sinambela ◽  
Magito Magito ◽  
Khilyatin Ikhsani
Keyword(s):  
Data Analysis ◽  
Structural Equation ◽  
Country Of Origin ◽  
Equation Model ◽  
Partial Least Square ◽  
Least Square ◽  
Purchase Decision ◽  
Affecting Factors ◽  
Relationship Of ◽  
The City

The purpose of this study is to find out the factors which affect on purchase decision of fake (non-genuine) Nike sports shoes. Data analysis generally confirms the structural relationship of all variables, namely price and country of origin on brand image and its impact on purchase decision for fake (non-genuine) Nike shoes. This research was conducted on Gold's Gym consumers in the city area of ​​West Jakarta with a sample size of 130 respondents. The data analysis method used in this study is the Component or Variance Based Structural Equation Model where the data processing used Partial Least Square (Smart-PLS) version 3.2.9. The results show that all hypotheses can be accepted, except for the third hypothesis, which indicates that the country of origin does not effect on purchase decision.

scholarly journals The Determinant Factors of Omnichannel Service Adoption in Jakarta

2019 ◽  
pp. 1-12
Author(s):  
Wenny Rukmana ◽  
Hermawan Susyanto ◽  
Antonio . ◽  
Ina Agustini Murwani
Keyword(s):  
Structural Equation ◽  
Positive Influence ◽  
Equation Model ◽  
Moderating Effects ◽  
Service Adoption ◽  
Channel Choice ◽  
Channel Integration ◽  
Object Based ◽  
Relationship Of ◽  
The Relationship

Along with the development of technology in retail, consumers have increased their expectation about experience convenience in retail. Starting with the growth of various platform, the next development is the experience that combined both offline and online service known as Omnichannel. The Omnichannel Service Adoption is explained by Wixom Model shows the relationship of object-based beliefs, channel integration quality, perceived fluency, and internal and external usage experience as moderating effects of perceived fluency. The adoption of Omnichannel is important to deliver a consistency of data and user experience compared to multichannel. The research uses quantitative approach with Structural Equation Model (SEM) PLS for data analytic. The population is referred to Berrybenka, a prominent fashion e-commerce in Jakarta, customers. The result shows that Breadth Channel Choice, Channel Service Transparency, Content Consistency and Process Consistency have a significant and positive influence on perceived fluency. The implication and limitation of the research are also highlighted.

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