Quantitative relations between structure and antiinflammatory activity of aryloxoalkanoic acids

1988 ◽  
Vol 53 (8) ◽  
pp. 1862-1872 ◽  
Author(s):  
Miroslav Kuchař ◽  
Eva Maturová ◽  
Bohumila Brunová ◽  
Jaroslava Grimová ◽  
Hana Tomková ◽  
...  
Keyword(s):  
Regression Analysis ◽  
Structural Changes ◽  
Antiinflammatory Activity ◽  
Structural Parameters ◽  
Considerable Effect ◽  
Antiinflammatory Effect ◽  
Prolonged Action ◽  
Preclinical Development ◽  
Indicator Variables ◽  
Inhibitory Activities

The antiinflammatory effect of a series of aryloxoalkanoic acids II and of their biphenyl derivatives III was examined by measuring the inhibition of the development of carageenan- and adjuvant-induced edemas. The quantitative relations between the antiinflammatory effect and physicochemical and structural parameters of the compounds tested were evaluated. The equations obtained by the method of regression analysis showed a significant linear dependence of both inhibitory activities on the lipophilicity of the compounds and a considerable effect of some structural changes as expressed by indicator variables. The antiinflammatory effect is especially enhanced in both tests by the presence of a cyclic substituent at the aromatic ring. The high antiinflammatory effect of biphenylyl derivatives III is paralleled by their prolonged action. The prolongation of the effect is most likely a result of a suitable biotransformation of acid III to an efficient metabolite. The structural requirements which resulted from both the regression analysis and from the hypothesis of biotransformation of acids III were utilized in the synthesis of suitably substituted biphenylyloxoalkanoic acids. By this approach derivatives IIIe-i were obtained some of which showed a high antiinflammatory and also protracted effect. 4-(2',4'-Difluorbiphenylyl)-4-oxo-2-methylbutanoic acid (VÚFB-16 066, Flobufen) was chosen for further preclinical development.

Benzyloxyarylaliphatic acids: Synthesis and quantitative relations between structure and antiinflammatory activity

1982 ◽  
Vol 47 (9) ◽  
pp. 2514-2524 ◽  
Author(s):  
Miroslav Kuchař ◽  
Václav Rejholec ◽  
Bohumila Brunová ◽  
Jaroslava Grimová ◽  
Oluše Matoušová ◽  
...  
Keyword(s):  
Regression Analysis ◽  
Aromatic Ring ◽  
Erythrocyte Membrane ◽  
Antiinflammatory Activity ◽  
Structural Parameters ◽  
Antiinflammatory Effect ◽  
Physico Chemical

The paper describes synthesis of substituted benzyloxyarylaliphatic acids, I-V, and their efficacy in stabilization the erythrocyte membrane against hypotonic haemolysis and their antiinflammatory effect in inhibition of the kaolin oedema. The quantitative relations between these efficacies and the physico-chemical and structural parameters of the acids have been analysed. The two activities depend on the overall lipophilicity and acidity of the acids. In the investigated range of lipophilicity the dependence of the antiinflammatory effect on lipophilicity had a parabolic course, whereas in stabilization of the erythrocyte membrane this dependence was linear. In either case the efficacy was suppressed by extending the connecting chain between the carboxyl and the aromatic ring. Regression analysis suggests that in the group of benzyloxyarylaliphatic acids it is not possible to prepare compounds more effective than 3-chloro-4-benzyloxyphenylacetic acid (benzofenac, Ia) and its 2-methyl analogue IIa.

Changes of Selected Structural and Mechanical Properties of the Strzelin Granites As Induced By Thermal Loads / Wpływ Obciążeń Termicznych Na Zmiany Niektórych Strukturalnych I Mechanicznych Właściwości Granitów Strzelińskich

2012 ◽  
Vol 57 (4) ◽  
pp. 951-974 ◽  
Author(s):  
Andrzej Nowakowski ◽  
Mariusz Młynarczuk
Keyword(s):  
Mechanical Properties ◽  
Nuclear Waste ◽  
Structural Changes ◽  
Structural Parameters ◽  
Total Porosity ◽  
Fracture Network ◽  
Qualitative Description ◽  
Temperature Changes ◽  
Heating And Cooling ◽  
Waste Repositories

Abstract Temperature is one of the basic factors influencing physical and structural properties of rocks. A quantitative and qualitative description of this influence becomes essential in underground construction and, in particular, in the construction of various underground storage facilities, including nuclear waste repositories. The present paper discusses the effects of temperature changes on selected mechanical and structural parameters of the Strzelin granites. Its authors focused on analyzing the changes of granite properties that accompany rapid temperature changes, for temperatures lower than 573ºC, which is the value at which the β - α phase transition in quartz occurs. Some of the criteria for selecting the temperature range were the results of measurements carried out at nuclear waste repositories. It was demonstrated that, as a result of the adopted procedure of heating and cooling of samples, the examined rock starts to reveal measurable structural changes, which, in turn, induces vital changes of its selected mechanical properties. In particular, it was shown that one of the quantities describing the structure of the rock - namely, the fracture network - grew significantly. As a consequence, vital changes could be observed in the following physical quantities characterizing the rock: primary wave velocity (vp), permeability coefficient (k), total porosity (n) and fracture porosity (η), limit of compressive strength (Rσ1) and the accompanying deformation (Rε1), Young’s modulus (E), and Poisson’s ratio (ν).

Motif Analysis and the Periodic Structural Changes in an Organizational Email-Based Social Network

2011 ◽  
pp. 292-302
Author(s):  
Krzysztof Juszczyszyn ◽  
Katarzyna Musial
Keyword(s):  
Social Networks ◽  
Social Network ◽  
Network Topology ◽  
Structural Changes ◽  
Structural Parameters ◽  
Local Network ◽  
Network Motifs ◽  
Motif Analysis ◽  
University Of Technology ◽  
E Mail

Network motifs are small subgraphs that reflect local network topology and were shown to be useful for creating profiles that reveal several properties of the network. In this work the motif analysis of the e-mail network of the Wroclaw University of Technology, consisting of over 4000 nodes was conducted. Temporal changes in the network structure during the period of 20 months were analysed and the correlations between global structural parameters of the network and motif distribution were found. These results are to be used in the development of methods dedicated for fast estimating of the properties of complex internet-based social networks.

scholarly journals Temporal Trends in Apparent Food Consumption in Bangladesh: A Joinpoint Regression Analysis of FAO’s Food Balance Sheet Data from 1961 to 2013

Nutrients ◽  
2019 ◽  
Vol 11 (8) ◽  
pp. 1864 ◽  
Author(s):  
Syed Mahfuz Al Hasan ◽  
Jennifer Saulam ◽  
Kanae Kanda ◽  
Tomohiro Hirao
Keyword(s):  
Regression Analysis ◽  
Food Consumption ◽  
Vegetable Oils ◽  
Structural Changes ◽  
Temporal Trends ◽  
Balance Sheet ◽  
Joinpoint Regression ◽  
Annual Percent Change ◽  
Dietary History ◽  
Joinpoint Regression Analysis

We analyzed the temporal trends and significant changes in apparent food consumption or availabilityin Bangladesh from 1961 to 2013. Due to the lack of a long-term national dietary intake dataset, this study used data derived from the FAO’s food balance sheets. We used joinpoint regression analysis to identify significant changes in the temporal trends. The annual percent change (APC) was computed for each segment of the trends. Apparent intake of starchy roots, eggs, fish, vegetables, milk, and vegetable oils significantly has increased (p < 0.05) in the Bangladeshi diet since 1961; whereas cereals changed by merely 4.65%. Bangladesh has been experiencing three structural changes in their dietary history after the Liberation War, though the intake level has been grossly inadequate. Initially, since the late-1970s, apparent vegetable oils intake increased at a market rate (APC = 7.53). Subsequently, since the early-1990s, the real force behind the structural change in the diet has been the increasing trends in the apparent intake of fish (APC = 5.05), eggs (APC = 4.65), and meat (APC = 1.54). Lastly, since the early 2000s, apparent intakes of fruits (APC = 20.44), vegetables (APC = 10.58), and milk (APC = 3.55) increased significantly (p <0.05). This study result reveals and quantifies the significant secular changes in the dietary history of Bangladesh from 1961 to 2013. Bangladesh has experienced inadequate but significant structural changes in the diet in the late-1970s, early-1990s, and early-2000s. Overabundance of cereals and inadequate structural changes in the diet may have caused the increasing prevalence of overweightness and emergence of diet-related, non-communicable diseases in Bangladesh.

Research on Damping Properties of Seperated and Manually Adjustable Shock Absorber Oriented to Damping Matching

2013 ◽  
Vol 694-697 ◽  
pp. 36-40 ◽  
Author(s):  
Da Feng Song ◽  
Gong Ke Yang ◽  
Chun Xiao Du
Keyword(s):  
Mathematical Model ◽  
Structural Changes ◽  
Shock Absorber ◽  
Structural Parameters ◽  
Characteristic Curve ◽  
Bench Test ◽  
Damping Properties ◽  
Damping Characteristics ◽  
Test Use ◽  
The Mathematical Model

On the basis of the structure characteristics of the seperated manually adjustable damper and its working principles, establish the shock absorber mathematical model, at the same time, get test data and curves of seperated manually adjustable shock absorber damping characteristics by bench test. Use MATLAB to simulate the characteristic curve of the speed of the shock absorber based on the mathematical model. The simulation curves and experimental curves were compared to verify the correctness and accuracy of the model. Further simulation and analysis affect of parts of structural changes on the damping characteristics. In order to provide a theoretical basis to structural parameters designing and vehicle damping matching.

THEORETICAL STUDIES OF HYDROGEN BONDING INTERACTION BETWEEN TRIMETHYLAMINE AND SUBSTITUTED PHENOLS, INFLUENCE OF THE SUBSTITUENTS ON THE HYDROGEN BOND PROPERTIES AND THE VIBRATIONAL SPECTRUM

2008 ◽  
Vol 07 (06) ◽  
pp. 1171-1186 ◽  
Author(s):  
SALMA PARVEEN ◽  
SUBOJIT DAS ◽  
ASIT K. CHANDRA ◽  
THERESE ZEEGERS-HUYSKENS
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Density Functional ◽  
Structural Changes ◽  
Structural Parameters ◽  
Basis Set ◽  
Bond Properties ◽  
Substituted Phenols ◽  
Hydrogen Bond Formation ◽  
Donor And Acceptor

Hydrogen bonding interactions between trimethylamine (TMA) and a series of para substituted phenols (X– C 6 H 4 OH , X = H , CH 3, NH 2, Cl , CN , and NO 2) are studied by using density functional theory with the hybrid B3LYP functional and the 6-31++G(d,p) basis set. Both electron donor and acceptor substituents (X) are chosen to study systematically the relation between the proton donor ability of the phenols and the strength of the OH … N hydrogen bond. The effect of hydrogen bonding on spectral and structural parameters and their inter relation are discussed. The natural bond orbital (NBO) analysis (occupation of σ* orbitals, hyperconjugative energies and atomic charges) is also carried out to elucidate the reason behind the spectral and structural changes due to hydrogen bond formation. Several correlations between hydrogen bond strength and bond properties are discussed.

scholarly journals NEW POSSIBILITIES OF QUALITY REGULATION FOR CERAMIC PRODUCTS

2004 ◽  
Vol 10 (1) ◽  
pp. 37-43 ◽  
Author(s):  
Jurgita Malaiškiene ◽  
Romualdas Mačiulaitis
Keyword(s):  
Regression Analysis ◽  
Maximum Rate ◽  
Ceramic Body ◽  
Structural Parameters ◽  
Empirical Equations ◽  
Statistical Regression ◽  
Wetting Front ◽  
Practical Application ◽  
Quality Regulation ◽  
Crushed Brick

Investigation of ceramic products is presented in the article. Material mix of these products consists of such components as clay of Rokai deposit, sand of Daugeliai deposit, crushed brick of Rokai brickworks, anthracite of Archangelsk region, peat of Rekyva's deposit and ground bottle glass. Statistical regression analysis is performed for the measured structural parameters of a ceramic body and various components of material mix. Empirical equations are derived allowing to select the composition of material mix according to the desirable structural parameters of a ceramic article (reserve of pore volume, degree of structural in homogeneity, maximum rate of capillary wetting front, capillary rate of mass flow and total open porosity). After selecting the composition of material mix, the prognosis of ceramic body characteristics is performed. Results of the investigation will have a wide practical application.

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