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Fulltext A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0-100 eV

Costa F, Traoré-Dubuis A, Álvarez L, Lozano AI, Ren X, Dorn A, et al.

Int J Mol Sci, 2020 Sep 22;21(18).
PMID: 32971806 DOI: 10.3390/ijms21186947

Electron scattering cross sections for pyridine in the energy range 0-100 eV, which we previously measured or calculated, have been critically compiled and complemented here with new measurements of electron energy loss spectra and double differential ionization cross sections. Experimental techniques employed in this study include a linear transmission apparatus and a reaction microscope system. To fulfill the transport model requirements, theoretical data have been recalculated within our independent atom model with screening corrected additivity rule and interference effects (IAM-SCAR) method for energies above 10 eV. In addition, results from the R-matrix and Schwinger multichannel with pseudopotential methods, for energies below 15 eV and 20 eV, respectively, are presented here. The reliability of this complete data set has been evaluated by comparing the simulated energy distribution of electrons transmitted through pyridine, with that observed in an electron-gas transmission experiment under magnetic confinement conditions. In addition, our representation of the angular distribution of the inelastically scattered electrons is discussed on the basis of the present double differential cross section experimental results.

Matched MeSH terms: Models, Chemical*
Fulltext A comparison of central composite design and Taguchi method for optimizing Fenton process

Asghar A, Abdul Raman AA, Daud WM

ScientificWorldJournal, 2014;2014:869120.
PMID: 25258741 DOI: 10.1155/2014/869120

In the present study, a comparison of central composite design (CCD) and Taguchi method was established for Fenton oxidation. [Dye]ini, Dye:Fe(+2), H2O2:Fe(+2), and pH were identified control variables while COD and decolorization efficiency were selected responses. L 9 orthogonal array and face-centered CCD were used for the experimental design. Maximum 99% decolorization and 80% COD removal efficiency were obtained under optimum conditions. R squared values of 0.97 and 0.95 for CCD and Taguchi method, respectively, indicate that both models are statistically significant and are in well agreement with each other. Furthermore, Prob > F less than 0.0500 and ANOVA results indicate the good fitting of selected model with experimental results. Nevertheless, possibility of ranking of input variables in terms of percent contribution to the response value has made Taguchi method a suitable approach for scrutinizing the operating parameters. For present case, pH with percent contribution of 87.62% and 66.2% was ranked as the most contributing and significant factor. This finding of Taguchi method was also verified by 3D contour plots of CCD. Therefore, from this comparative study, it is concluded that Taguchi method with 9 experimental runs and simple interaction plots is a suitable alternative to CCD for several chemical engineering applications.

Matched MeSH terms: Models, Chemical*
A glycerol-free process to produce biodiesel by supercritical methyl acetate technology: an optimization study via Response Surface Methodology

Tan KT, Lee KT, Mohamed AR

Bioresour Technol, 2010 Feb;101(3):965-9.
PMID: 19773156 DOI: 10.1016/j.biortech.2009.09.004

In this study, fatty acid methyl esters (FAME) have been successfully produced from transesterification reaction between triglycerides and methyl acetate, instead of alcohol. In this non-catalytic supercritical methyl acetate (SCMA) technology, triacetin which is a valuable biodiesel additive is produced as side product rather than glycerol, which has lower commercial value. Besides, the properties of the biodiesel (FAME and triacetin) were found to be superior compared to those produced from conventional catalytic reactions (FAME only). In this study, the effects of various important parameters on the yield of biodiesel were optimized by utilizing Response Surface Methodology (RSM) analysis. The mathematical model developed was found to be adequate and statistically accurate to predict the optimum yield of biodiesel. The optimum conditions were found to be 399 degrees C for reaction temperature, 30 mol/mol of methyl acetate to oil molar ratio and reaction time of 59 min to achieve 97.6% biodiesel yield.

Matched MeSH terms: Models, Chemical
A new semi-empirical kinetic method for the determination of ion exchange constants for the counterions of cationic micelles

Khan MN

Adv Colloid Interface Sci, 2010 Sep 15;159(2):160-79.
PMID: 20673861 DOI: 10.1016/j.cis.2010.06.005

A new method, based upon semi-empirical kinetic approach, for the determination of ion exchange constant for ion exchange processes occurring between counterions at the cationic micellar surface is described in this review article. Basically, the method involves a reaction kinetic probe which gives observed pseudo-first-order rate constants (k(obs)) for a nucleophilic substitution reaction between the nonionic and anionic reactants (R and S) in the presence of a constant concentration of both reactants as well as cationic micelles and varying concentrations of an inert inorganic or organic salt (MX). The observed data (k(obs), versus [MX]) fit satisfactorily (in terms of residual errors) to an empirical equation which could be derived from an equation explaining the mechanism of the reaction of the kinetic probe in terms of pseudophase micellar (PM) model coupled with another empirical equation. This (another) empirical equation explains the effect of [MX] on cationic micellar binding constant (K(S)) of the anionic reactant (say S) and gives an empirical constant, K(X/S). The magnitude of K(X/S) is the measure of the ability of X(-) to expel S(-) from a cationic micellar pseudophase to the bulk aqueous phase through ion exchange X(-)/S(-). The values of K(X/S) and K(Y/S) (where Y(-) is another inert counterion) give the ion exchange constant, K(X)(Y) (=K(X)/K(Y) where K(X) and K(Y) represent cationic micellar binding constants of X(-) and Y(-), respectively). The suitability of this method is demonstrated by the use of three different reaction kinetic probes and various MX.

Matched MeSH terms: Models, Chemical
A novel method of deriving the effect compartment equilibrium rate constant for propofol

Lim TA

Br J Anaesth, 2003 Nov;91(5):730-2.
PMID: 14570797

BACKGROUND: Calculation of the effect compartment concentration (Ce) in non-steady-state conditions requires the equilibrium rate constant, keo. Most studies of propofol derive the keo using EEG measurements. This study investigated an alternative method. Starting from a predicted concentration-time profile, a keo value was included so that the predicted Ce at a specific pharmacodynamic end-point was the same when using three different methods of injection.
METHODS: Seventy-five patients were given propofol for induction of anaesthesia. Twenty-five patients received a single bolus, 25 patients received an infusion, and 25 patients received a bolus followed by an infusion. Computer simulation was used to derive the central compartment concentration. The keo that brought about the same value for Ce at loss of the eyelash reflex using the three methods of injection was derived.
RESULTS: Keo was found to be 0.80 min(-1). Mean (SD) Ce at loss of the eyelash reflex was 2.27 (0.69) microg ml(-1).
CONCLUSIONS: The effect compartment equilibrium rate constant and concentration at loss of the eyelash reflex can be derived without the use of electronic central nervous system monitors.

Matched MeSH terms: Models, Chemical
A packed bed membrane reactor for production of biodiesel using activated carbon supported catalyst

Baroutian S, Aroua MK, Raman AA, Sulaiman NM

Bioresour Technol, 2011 Jan;102(2):1095-102.
PMID: 20888219 DOI: 10.1016/j.biortech.2010.08.076

In this study, a novel continuous reactor has been developed to produce high quality methyl esters (biodiesel) from palm oil. A microporous TiO2/Al2O3 membrane was packed with potassium hydroxide catalyst supported on palm shell activated carbon. The central composite design (CCD) of response surface methodology (RSM) was employed to investigate the effects of reaction temperature, catalyst amount and cross flow circulation velocity on the production of biodiesel in the packed bed membrane reactor. The highest conversion of palm oil to biodiesel in the reactor was obtained at 70 °C employing 157.04 g catalyst per unit volume of the reactor and 0.21 cm/s cross flow circulation velocity. The physical and chemical properties of the produced biodiesel were determined and compared with the standard specifications. High quality palm oil biodiesel was produced by combination of heterogeneous alkali transesterification and separation processes in the packed bed membrane reactor.

Matched MeSH terms: Models, Chemical
A penalized quantitative structure-property relationship study on melting point of energetic carbocyclic nitroaromatic compounds using adaptive bridge penalty

Al-Fakih AM, Algamal ZY, Lee MH, Aziz M

SAR QSAR Environ Res, 2018 May;29(5):339-353.
PMID: 29493376 DOI: 10.1080/1062936X.2018.1439531

A penalized quantitative structure-property relationship (QSPR) model with adaptive bridge penalty for predicting the melting points of 92 energetic carbocyclic nitroaromatic compounds is proposed. To ensure the consistency of the descriptor selection of the proposed penalized adaptive bridge (PBridge), we proposed a ridge estimator ([Formula: see text]) as an initial weight in the adaptive bridge penalty. The Bayesian information criterion was applied to ensure the accurate selection of the tuning parameter ([Formula: see text]). The PBridge based model was internally and externally validated based on [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], the Y-randomization test, [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text] and the applicability domain. The validation results indicate that the model is robust and not due to chance correlation. The descriptor selection and prediction performance of PBridge for the training dataset outperforms the other methods used. PBridge shows the highest [Formula: see text] of 0.959, [Formula: see text] of 0.953, [Formula: see text] of 0.949 and [Formula: see text] of 0.959, and the lowest [Formula: see text] and [Formula: see text]. For the test dataset, PBridge shows a higher [Formula: see text] of 0.945 and [Formula: see text] of 0.948, and a lower [Formula: see text] and [Formula: see text], indicating its better prediction performance. The results clearly reveal that the proposed PBridge is useful for constructing reliable and robust QSPRs for predicting melting points prior to synthesizing new organic compounds.

Matched MeSH terms: Models, Chemical
A sparse QSRR model for predicting retention indices of essential oils based on robust screening approach

Al-Fakih AM, Algamal ZY, Lee MH, Aziz M

SAR QSAR Environ Res, 2017 Aug;28(8):691-703.
PMID: 28976224 DOI: 10.1080/1062936X.2017.1375010

A robust screening approach and a sparse quantitative structure-retention relationship (QSRR) model for predicting retention indices (RIs) of 169 constituents of essential oils is proposed. The proposed approach is represented in two steps. First, dimension reduction was performed using the proposed modified robust sure independence screening (MR-SIS) method. Second, prediction of RIs was made using the proposed robust sparse QSRR with smoothly clipped absolute deviation (SCAD) penalty (RSQSRR). The RSQSRR model was internally and externally validated based on [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], Y-randomization test, [Formula: see text], [Formula: see text], and the applicability domain. The validation results indicate that the model is robust and not due to chance correlation. The descriptor selection and prediction performance of the RSQSRR for training dataset outperform the other two used modelling methods. The RSQSRR shows the highest [Formula: see text], [Formula: see text], and [Formula: see text], and the lowest [Formula: see text]. For the test dataset, the RSQSRR shows a high external validation value ([Formula: see text]), and a low value of [Formula: see text] compared with the other methods, indicating its higher predictive ability. In conclusion, the results reveal that the proposed RSQSRR is an efficient approach for modelling high dimensional QSRRs and the method is useful for the estimation of RIs of essential oils that have not been experimentally tested.

Matched MeSH terms: Models, Chemical
A study on medicinal plants from Malaysia focused on Acalypha siamensis Oliv. ex Gage. isolation and structure of a new tetraterpene, acalyphaser A

Kambara H, Yamada T, Tsujioka M, Matsunaga S, Tanaka R, Ali HI, et al.

Chem Biodivers, 2006 Dec;3(12):1301-6.
PMID: 17193244

As a part of our chemical studies on Malaysian medicinal plants, five Malaysian plant species were evaluated by cytotoxicity assays using P388 murine leukemia cells. Since Acalypha siamensis exhibited the strongest growth inhibition, its constituents were studied as the object of search for bioactive materials. A novel tetraterpene, acalyphaser A (1), was isolated in the course of the purification. Its structure was elucidated on the basis of 1D- and 2D-NMR techniques, and mass spectrometry.

Matched MeSH terms: Models, Chemical
A technique for evaluating the oil/heavy-oil viscosity changes under ultrasound in a simulated porous medium

Hamidi H, Mohammadian E, Junin R, Rafati R, Manan M, Azdarpour A, et al.

Ultrasonics, 2014 Feb;54(2):655-62.
PMID: 24075416 DOI: 10.1016/j.ultras.2013.09.006

Theoretically, Ultrasound method is an economical and environmentally friendly or "green" technology, which has been of interest for more than six decades for the purpose of enhancement of oil/heavy-oil production. However, in spite of many studies, questions about the effective mechanisms causing increase in oil recovery still existed. In addition, the majority of the mechanisms mentioned in the previous studies are theoretical or speculative. One of the changes that could be recognized in the fluid properties is viscosity reduction due to radiation of ultrasound waves. In this study, a technique was developed to investigate directly the effect of ultrasonic waves (different frequencies of 25, 40, 68 kHz and powers of 100, 250, 500 W) on viscosity changes of three types of oil (Paraffin oil, Synthetic oil, and Kerosene) and a Brine sample. The viscosity calculations in the smooth capillary tube were based on the mathematical models developed from the Poiseuille's equation. The experiments were carried out for uncontrolled and controlled temperature conditions. It was observed that the viscosity of all the liquids was decreased under ultrasound in all the experiments. This reduction was more significant for uncontrolled temperature condition cases. However, the reduction in viscosity under ultrasound was higher for lighter liquids compare to heavier ones. Pressure difference was diminished by decreasing in the fluid viscosity in all the cases which increases fluid flow ability, which in turn aids to higher oil recovery in enhanced oil recovery (EOR) operations. Higher ultrasound power showed higher liquid viscosity reduction in all the cases. Higher ultrasound frequency revealed higher and lower viscosity reduction for uncontrolled and controlled temperature condition experiments, respectively. In other words, the reduction in viscosity was inversely proportional to increasing the frequency in temperature controlled experiments. It was concluded that cavitation, heat generation, and viscosity reduction are three of the promising mechanisms causing increase in oil recovery under ultrasound.

Matched MeSH terms: Models, Chemical*
AChE inhibitor: a regio- and stereo-selective 1,3-dipolar cycloaddition for the synthesis of novel substituted 5,6-dimethoxy spiro[5.3']-oxindole-spiro-[6.3″]-2,3-dihydro-1H-inden-1″-one-7-(substituted aryl)-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole

Ashraf Ali M, Ismail R, Choon TS, Kumar RS, Osman H, Arumugam N, et al.

Bioorg Med Chem Lett, 2012 Jan 1;22(1):508-11.
PMID: 22142546 DOI: 10.1016/j.bmcl.2011.10.087

Pyrrolothiazolyloxindole analogues share vital pharmacological properties, considered useful in Alzheimer's disease (AD). The aim of this study was synthesis and evaluate pyralothiazolyloxindole analogues if possess acetyl cholinesterase (AChE) inhibitory activity. The easily accessible one-pot synthesis of these compounds resulted to be significantly less difficult and expensive than that of donepezil. Several compounds possess anti-cholinesterase activity in the order of micro and sub-micromolar. Particularly, compound was the most potent inhibitors of the series against acetyl cholinesterase enzyme with IC(50) 0.11μmol/L.

Matched MeSH terms: Models, Chemical
Adsorption isotherm and kinetic modeling of 2,4-D pesticide on activated carbon derived from date stones

Hameed BH, Salman JM, Ahmad AL

J Hazard Mater, 2009 Apr 15;163(1):121-6.
PMID: 18667269 DOI: 10.1016/j.jhazmat.2008.06.069

In this work, the adsorption of 2,4-dichlorophenoxyacetic acid (2,4-D) on activated carbon derived from date stones (DSAC) was studied with respect to pH and initial 2,4-D concentration. The experimental data were analyzed by the Freundlich isotherm, the Langmuir isotherm, and the Temkin isotherm. Equilibrium data fitted well with the Langmuir model with maximum adsorption capacity of 238.10 mg/g. Pseudo-first and pseudo-second-order kinetics models were tested with the experimental data, and pseudo-first-order kinetics was the best for the adsorption of 2,4-D by DSAC with coefficients of correlation R(2)>or=0.986 for all initial 2,4-D concentrations studied. The results indicated that the DSAC is very effective for the adsorption of 2,4-D from aqueous solutions.

Matched MeSH terms: Models, Chemical
Adsorption of Bovine Serum Albumin (BSA) at the Oil/Water Interface: A Neutron Reflection Study

Campana M, Hosking SL, Petkov JT, Tucker IM, Webster JR, Zarbakhsh A, et al.

Langmuir, 2015 May 26;31(20):5614-22.
PMID: 25875917 DOI: 10.1021/acs.langmuir.5b00646

The structure of the adsorbed protein layer at the oil/water interface is essential to the understanding of the role of proteins in emulsion stabilization, and it is important to glean the mechanistic events of protein adsorption at such buried interfaces. This article reports on a novel experimental methodology for probing protein adsorption at the buried oil/water interface. Neutron reflectivity was used with a carefully selected set of isotopic contrasts to study the adsorption of bovine serum albumin (BSA) at the hexadecane/water interface, and the results were compared to those for the air/water interface. The adsorption isotherm was determined at the isoelectric point, and the results showed that a higher degree of adsorption could be achieved at the more hydrophobic interface. The adsorbed BSA molecules formed a monolayer on the aqueous side of the interface. The molecules in this layer were partially denatured by the presence of oil, and once released from the spatial constraint by the globular framework they were free to establish more favorable interactions with the hydrophobic medium. Thus, a loose layer extending toward the oil phase was clearly observed, resulting in an overall broader interface. By analogy to the air/water interface, as the concentration of BSA increased to 1.0 mg mL(-1) a secondary layer extending toward the aqueous phase was observed, possibly resulting from the steric repulsion upon the saturation of the primary monolayer. Results clearly indicate a more compact arrangement of molecules at the oil/water interface: this must be caused by the loss of the globular structure as a consequence of the denaturing action of the hexadecane.

Matched MeSH terms: Models, Chemical*
Fulltext Adsorption of Rhodamine B dye from aqueous solution onto acid treated banana peel: Response surface methodology, kinetics and isotherm studies

Oyekanmi AA, Ahmad A, Hossain K, Rafatullah M

PLoS One, 2019;14(5):e0216878.
PMID: 31091269 DOI: 10.1371/journal.pone.0216878

The adsorption of rhodamine B (RhB) using acid modified banana peels has been examined. Chemical characteristics of the adsorbents were observed in order to determine active functional groups. The major functional groups on the surface were OH, C = O, C = C and C-O-C. Interactions between operational parameters were studied using the central composite design (CCD) of response surface methodology (RSM). The predictions of the model output indicated that operational factors influenced responses at a confidence level of 95% (P<0.05). The optimum conditions for adsorption were pH 2 at a 0.2 g/L dose within 60 minutes of contact time. Isotherm studies were carried out using the optimized process variables. The data revealed that RhB adsorption fitted the Langmuir isotherm equation while the reduction of COD followed the Freundlich isotherm. Kinetic experiments fitted the pseudo second order model for RhB removal and COD reduction. The adsorption mechanism was not the only rate controlling step. Diffusion through the boundary layer described the pattern of adsorption.

Matched MeSH terms: Models, Chemical*
Adsorption of butyl acetate in air over silver-loaded Y and ZSM-5 zeolites: experimental and modelling studies

Bhatia S, Abdullah AZ, Wong CT

J Hazard Mater, 2009 Apr 15;163(1):73-81.
PMID: 18649998 DOI: 10.1016/j.jhazmat.2008.06.055

Adsorption behaviours of butyl acetate in air have been studied over silver-loaded Y (Si/Al=40) and ZSM-5 (Si/Al=140) zeolites. The silver metal was loaded into the zeolites by ion exchange (IE) and impregnation (IM) methods. The adsorption study was mainly conducted at a gas hourly space velocity (GHSV) of 13,000 h(-1) with the organic concentration of 1000 ppm while the desorption step was carried out at a GHSV of 5000 h(-1). The impregnated silver-loaded adsorbents showed lower uptake capacity and shorter breakthrough time by about 10 min, attributed to changes in the pore characteristics and available surface for adsorption. Silver exchanged Y (AgY(IE)) with lower hydrophobicity showed higher uptake capacity of up to 35%, longer adsorbent service time and easier desorption compared to AgZSM-5(IE). The presence of water vapour in the feed suppressed the butyl acetate adsorption of AgY(IE) by 42% due to the competitive adsorption of water on the surface and the effect was more pronounced at lower GHSV. Conversely, the adsorption capacity of AgZSM-5(IE) was minimally affected, attributed to the higher hydrophobicity of the material. A mathematical model is proposed to simulate the adsorption behaviour of butyl acetate over AgY(IE) and AgZSM-5(IE). The model parameters were successfully evaluated and used to accurately predict the breakthrough curves under various process conditions with root square mean errors of between 0.05 and 0.07.

Matched MeSH terms: Models, Chemical*
Adsorption of direct dye on palm ash: kinetic and equilibrium modeling

Ahmad AA, Hameed BH, Aziz N

J Hazard Mater, 2007 Mar 6;141(1):70-6.
PMID: 16887263

Palm ash, an agriculture waste residue from palm-oil industry in Malaysia, was investigated as a replacement for the current expensive methods of removing direct blue 71 dye from an aqueous solution. The experimental data were analyzed by the Langmuir and Freundlich models of adsorption. Equilibrium data fitted well with Freundlich model in the range of 50-600mg/L. The equilibrium adsorption capacity of the palm ash was determined with the Langmuir equation and found to be 400.01mg dye per gram adsorbent at 30 degrees C. The rates of adsorption were found to conform to the pseudo-second-order kinetics with good correlation. The results indicate that the palm ash could be employed as a low-cost alternative to commercial activated carbon.

Matched MeSH terms: Models, Chemical
Alkaloids of Kopsia

Kam TS, Lim KH

Alkaloids Chem Biol, 2008;66:1-111.
PMID: 19025097
Matched MeSH terms: Models, Chemical
An evaluation of direct measurement techniques for mercury dry deposition

Lai SO, Huang J, Hopke PK, Holsen TM

Sci Total Environ, 2011 Mar 1;409(7):1320-7.
PMID: 21257194 DOI: 10.1016/j.scitotenv.2010.12.032

In this project, several surrogate surfaces designed to directly measure Hg dry deposition were investigated. Static water surrogate surfaces (SWSS) containing deionized (DI), acidified water, or salt solutions, and a knife-edge surrogate surface (KSS) using quartz fiber filters (QFF), KCl-coated QFF and gold-coated QFF were evaluated as a means to directly measure mercury (Hg) dry deposition. The SWSS was hypothesized to collect deposited elemental mercury (Hg⁰), reactive gaseous/oxidized mercury (RGM), and mercury associated with particulate matter (Hg(p)) while the QFF, KCl-coated QFF, and gold-coated QFF on the KSS were hypothesized to collect Hg(p), RGM+Hg(p), and Hg⁰+RGM+Hg(p), respectively. The Hg flux measured by the DI water was significantly smaller than that captured by the acidified water, probably because Hg⁰ was oxidized to Hg²+ which stabilized the deposited Hg and decreased mass transfer resistance. Acidified BrCl, which efficiently oxidizes Hg⁰, captured significantly more Hg than other solutions. However, of all collection media, gold-coated QFFs captured 6 to 100 times greater Hg mass than the other surfaces, probably because there is no surface resistance for Hg⁰ deposition to gold surfaces. In addition, the Hg⁰ concentration is usually 100-1000 times higher than RGM and Hg(p). For all other media, co-located samples were not significantly different, and the combination of daytime plus nighttime results were comparable to 24-h samples, implying that Hg⁰, RGM and Hg(p) were not released after they deposited nor did the surfaces reach equilibrium with the atmosphere. Based on measured Hg ambient air concentrations and fluxes, dry deposition velocities of RGM and Hg⁰ to DI water and other surfaces were 5.6±5.4 and 0.005-0.68 cm s⁻¹ in this study, respectively. These results suggest surrogate surfaces can be used to measure Hg dry deposition; however, extrapolating the results to natural surface can be challenging.

Matched MeSH terms: Models, Chemical
Fulltext An expedient synthesis, acetylcholinesterase inhibitory activity, and molecular modeling study of highly functionalized hexahydro-1,6-naphthyridines

Almansour AI, Kumar RS, Arumugam N, Basiri A, Kia Y, Ali MA

Biomed Res Int, 2015;2015:965987.
PMID: 25710037 DOI: 10.1155/2015/965987

A series of hexahydro-1,6-naphthyridines were synthesized in good yields by the reaction of 3,5-bis[(E)-arylmethylidene]tetrahydro-4(1H)-pyridinones with cyanoacetamide in the presence of sodium ethoxide under simple mixing at ambient temperature for 6-10 minutes and were assayed for their acetylcholinesterase (AChE) inhibitory activity using colorimetric Ellman's method. Compound 4e with methoxy substituent at ortho-position of the phenyl rings displayed the maximum inhibitory activity with IC50 value of 2.12 μM. Molecular modeling simulation of 4e was performed using three-dimensional structure of Torpedo californica AChE (TcAChE) enzyme to disclose binding interaction and orientation of this molecule into the active site gorge of the receptor.

Matched MeSH terms: Models, Chemical
Fulltext An experimental study on pile spacing effects under lateral loading in sand

Khari M, Kassim KA, Adnan A

ScientificWorldJournal, 2013;2013:734292.
PMID: 24453900 DOI: 10.1155/2013/734292

Grouped and single pile behavior differs owing to the impacts of the pile-to-pile interaction. Ultimate lateral resistance and lateral subgrade modulus within a pile group are known as the key parameters in the soil-pile interaction phenomenon. In this study, a series of experimental investigation was carried out on single and group pile subjected to monotonic lateral loadings. Experimental investigations were conducted on twelve model pile groups of configurations 1 × 2, 1 × 3, 2 × 2, 3 × 3, and 3 × 2 for embedded length-to-diameter ratio l/d = 32 into loose and dense sand, spacing from 3 to 6 pile diameter, in parallel and series arrangement. The tests were performed in dry sand from Johor Bahru, Malaysia. To reconstruct the sand samples, the new designed apparatus, Mobile Pluviator, was adopted. The ultimate lateral load is increased 53% in increasing of s/d from 3 to 6 owing to effects of sand relative density. An increasing of the number of piles in-group decreases the group efficiency owing to the increasing of overlapped stress zones and active wedges. A ratio of s/d more than 6d is large enough to eliminate the pile-to-pile interaction and the group effects. It may be more in the loose sand.

Matched MeSH terms: Models, Chemical*

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