Displaying publications 1 - 20 of 192 in total

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  1. Zulkali MM, Ahmad AL, Norulakmal NH
    Bioresour Technol, 2006 Jan;97(1):21-5.
    PMID: 15963716
    The effects of initial concentration of lead, temperature, biomass loading and pH were investigated for an optimized condition of lead uptake from the aqueous solution. The optimization process was analyzed using Central Composite Face-Centered Experimental Design in Response Surface Methodology (RSM) by Design Expert Version 5.0.7 (StatEase, USA). The design was employed to derive a statistical model for the effect of parameters studied on the removal of lead ion from aqueous solution. The coefficient of determination, R2 was found to be 92.36%. The initial concentration of 50.0 mg/L, temperature of 60 degrees C, biomass loading of 0.2 g and pH of 5.0 had been found to be the optimum conditions for the maximum uptake of lead ions in 98.11% batch mode. Under the optimum conditions, the lead uptake was attained to be circa 8.60 mg/g.
    Matched MeSH terms: Models, Chemical
  2. Zulfadhly Z, Mashitah MD, Bhatia S
    Environ Pollut, 2001;112(3):463-70.
    PMID: 11291452
    The ability of Pycnoporus sanguineus to adsorb heavy metals from aqueous solution was investigated in fixed-bed column studies. The experiments were conducted to study the effect of important design parameters such as column bed height, flow rate and initial concentration of solution. The breakthrough profiles were obtained in these studies. A mathematical model based on external mass transfer and pore diffusion was used for the prediction of mass transfer coefficient and effective diffusivity of metals in macro-fungi bed. Experimental breakthrough profiles were compared with the simulated breakthrough profiles obtained from the mathematical model. Bed Depth Service Time (BDST) model was used to analyse the experimental data and evaluated the performance of biosorption column. The BDST model parameters needed for the design of biosorption columns were evaluated for lead, copper and cadmium removal in the column. The columns were regenerated by eluting the metal ions using 0.1 M hydrochloric acid solution after the adsorption studies. The columns were subjected to repeated cycles of adsorption of same metal ions and desorption to evaluate the removal efficiency after adsorption-desorption.
    Matched MeSH terms: Models, Chemical*
  3. Zeeshan F, Tabbassum M, Jorgensen L, Medlicott NJ
    Appl Spectrosc, 2018 Feb;72(2):268-279.
    PMID: 29022355 DOI: 10.1177/0003702817739908
    Protein drugs may encounter conformational perturbations during the formulation processing of lipid-based solid dosage forms. In aqueous protein solutions, attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can investigate these conformational changes following the subtraction of spectral interference of solvent with protein amide I bands. However, in solid dosage forms, the possible spectral contribution of lipid carriers to protein amide I band may be an obstacle to determine conformational alterations. The objective of this study was to develop an ATR FT-IR spectroscopic method for the analysis of protein secondary structure embedded in solid lipid matrices. Bovine serum albumin (BSA) was chosen as a model protein, while Precirol AT05 (glycerol palmitostearate, melting point 58 ℃) was employed as the model lipid matrix. Bovine serum albumin was incorporated into lipid using physical mixing, melting and mixing, or wet granulation mixing methods. Attenuated total reflection FT-IR spectroscopy and size exclusion chromatography (SEC) were performed for the analysis of BSA secondary structure and its dissolution in aqueous media, respectively. The results showed significant interference of Precirol ATO5 with BSA amide I band which was subtracted up to 90% w/w lipid content to analyze BSA secondary structure. In addition, ATR FT-IR spectroscopy also detected thermally denatured BSA solid alone and in the presence of lipid matrix indicating its suitability for the detection of denatured protein solids in lipid matrices. Despite being in the solid state, conformational changes occurred to BSA upon incorporation into solid lipid matrices. However, the extent of these conformational alterations was found to be dependent on the mixing method employed as indicated by area overlap calculations. For instance, the melting and mixing method imparted negligible effect on BSA secondary structure, whereas the wet granulation mixing method promoted more changes. Size exclusion chromatography analysis depicted the complete dissolution of BSA in the aqueous media employed in the wet granulation method. In conclusion, an ATR FT-IR spectroscopic method was successfully developed to investigate BSA secondary structure in solid lipid matrices following the subtraction of lipid spectral interference. The ATR FT-IR spectroscopy could further be applied to investigate the secondary structure perturbations of therapeutic proteins during their formulation development.
    Matched MeSH terms: Models, Chemical
  4. Zaimi K, Ishak A, Pop I
    PLoS One, 2014;9(11):e111743.
    PMID: 25365118 DOI: 10.1371/journal.pone.0111743
    The steady two-dimensional flow and heat transfer over a stretching/shrinking sheet in a nanofluid is investigated using Buongiorno's nanofluid model. Different from the previously published papers, in the present study we consider the case when the nanofluid particle fraction on the boundary is passively rather than actively controlled, which make the model more physically realistic. The governing partial differential equations are transformed into nonlinear ordinary differential equations by a similarity transformation, before being solved numerically by a shooting method. The effects of some governing parameters on the fluid flow and heat transfer characteristics are graphically presented and discussed. Dual solutions are found to exist in a certain range of the suction and stretching/shrinking parameters. Results also indicate that both the skin friction coefficient and the local Nusselt number increase with increasing values of the suction parameter.
    Matched MeSH terms: Models, Chemical*
  5. Zahed MA, Aziz HA, Isa MH, Mohajeri L, Mohajeri S
    Bioresour Technol, 2010 Dec;101(24):9455-60.
    PMID: 20705460 DOI: 10.1016/j.biortech.2010.07.077
    To determine the influence of nutrients on the rate of biodegradation, a five-level, three-factor central composite design (CCD) was employed for bioremediation of seawater artificially contaminated with crude oil. Removal of total petroleum hydrocarbons (TPH) was the dependent variable. Samples were extracted and analyzed according to US-EPA protocols. A significant (R(2)=0.9645, P<0.0001) quadratic polynomial mathematical model was generated. Removal from samples not subjected to optimization and removal by natural attenuation were 53.3% and 22.6%, respectively. Numerical optimization was carried out based on desirability functions for maximum TPH removal. For an initial crude oil concentration of 1g/L supplemented with 190.21 mg/L nitrogen and 12.71 mg/L phosphorus, the Design-Expert software predicted 60.9% hydrocarbon removal; 58.6% removal was observed in a 28-day experiment.
    Matched MeSH terms: Models, Chemical
  6. Yusof AM, Malek NA, Kamaruzaman NA, Adil M
    Environ Technol, 2010 Jan;31(1):41-6.
    PMID: 20232677 DOI: 10.1080/09593330903313794
    Zeolites P in sodium (NaP) and potassium (KP) forms were used as adsorbents for the removal of calcium (Ca2+) and zinc (Zn2+) cations from aqueous solutions. Zeolite KP was prepared by ion exchange of K+ with Na+ which neutralizes the negative charge of the zeolite P framework structure. The ion exchange capacity of K+ on zeolite NaP was determined through the Freundlich isotherm equilibrium study. Characterization of zeolite KP was determined using infrared spectroscopy and X-ray diffraction (XRD) techniques. From the characterization, the structure of zeolite KP was found to remain stable after the ion exchange process. Zeolites KP and NaP were used for the removal of Ca and Zn from solution. The amount of Ca2+ and Zn2+ in aqueous solution before and after the adsorption by zeolites was analysed using the flame atomic absorption spectroscopy method. The removal of Ca2+ and Zn2+ followed the Freundlich isotherm rather than the Langmuir isotherm model. This result also revealed that zeolite KP adsorbs Ca2+ and Zn2+ more than zeolite NaP and proved that modification of zeolite NaP with potassium leads to an increase in the adsorption efficiency of the zeolite. Therefore, the zeolites NaP and KP can be used for water softening (Ca removal) and reducing water pollution/toxicity (Zn removal).
    Matched MeSH terms: Models, Chemical*
  7. Yousif E, Ahmed DS, Ahmed AA, Hameed AS, Muhamed SH, Yusop RM, et al.
    Environ Sci Pollut Res Int, 2019 Apr;26(10):9945-9954.
    PMID: 30739295 DOI: 10.1007/s11356-019-04323-x
    Although plastic induces environmental damages, almost the consumption of poly(vinyl chloride) never stops increasing. Therefore, this work abstracted by two parts, first, synthesis of Schiff bases 1-4 compounds through the reaction of amino group with appropriate aromatic aldehyde, reaction of PVC with Schiff bases compounds 1-4 in THF to form a new modified PVC-1, PVC-2, PVC-3, and PVC-4. The structures of Schiff bases 1-4 and the modified PVC-1, PVC-2, PVC-3, and PVC-4 have been characterized by different spectroscopic analyses. Second, the influence of introducing 4-amino-1,2,4-triazole as a pendent groups into PVC chain investigated on photostability rules of tests. The modified polymers photostability investigated by observing indices (ICO, Ipo, and IOH), weight loss, UV and morphological studies, and all results obtained indicated that PVC-1, PVC-2, PVC-3 and PVC-4 gave lower growth rate of ICO, IPO, and IOH through UV exposure time. The photostability are given as PVC-4 
    Matched MeSH terms: Models, Chemical
  8. Yarmand H, Gharehkhani S, Kazi SN, Sadeghinezhad E, Safaei MR
    ScientificWorldJournal, 2014;2014:369593.
    PMID: 25254236 DOI: 10.1155/2014/369593
    Thermal characteristics of turbulent nanofluid flow in a rectangular pipe have been investigated numerically. The continuity, momentum, and energy equations were solved by means of a finite volume method (FVM). The symmetrical rectangular channel is heated at the top and bottom at a constant heat flux while the sides walls are insulated. Four different types of nanoparticles Al2O3, ZnO, CuO, and SiO2 at different volume fractions of nanofluids in the range of 1% to 5% are considered in the present investigation. In this paper, effect of different Reynolds numbers in the range of 5000 < Re < 25000 on heat transfer characteristics of nanofluids flowing through the channel is investigated. The numerical results indicate that SiO2-water has the highest Nusselt number compared to other nanofluids while it has the lowest heat transfer coefficient due to low thermal conductivity. The Nusselt number increases with the increase of the Reynolds number and the volume fraction of nanoparticles. The results of simulation show a good agreement with the existing experimental correlations.
    Matched MeSH terms: Models, Chemical
  9. Yakubu ML, Yusop Z, Yusof F
    ScientificWorldJournal, 2014;2014:361703.
    PMID: 25126597 DOI: 10.1155/2014/361703
    This paper presents the modelled raindrop size parameters in Skudai region of the Johor Bahru, western Malaysia. Presently, there is no model to forecast the characteristics of DSD in Malaysia, and this has an underpinning implication on wet weather pollution predictions. The climate of Skudai exhibits local variability in regional scale. This study established five different parametric expressions describing the rain rate of Skudai; these models are idiosyncratic to the climate of the region. Sophisticated equipment that converts sound to a relevant raindrop diameter is often too expensive and its cost sometimes overrides its attractiveness. In this study, a physical low-cost method was used to record the DSD of the study area. The Kaplan-Meier method was used to test the aptness of the data to exponential and lognormal distributions, which were subsequently used to formulate the parameterisation of the distributions. This research abrogates the concept of exclusive occurrence of convective storm in tropical regions and presented a new insight into their concurrence appearance.
    Matched MeSH terms: Models, Chemical*
  10. Yahaya Khan M, Abdul Karim ZA, Hagos FY, Aziz AR, Tan IM
    ScientificWorldJournal, 2014;2014:527472.
    PMID: 24563631 DOI: 10.1155/2014/527472
    Water-in-diesel emulsion (WiDE) is an alternative fuel for CI engines that can be employed with the existing engine setup with no additional engine retrofitting. It has benefits of simultaneous reduction of both NO x and particulate matters in addition to its impact in the combustion efficiency improvement, although this needs further investigation. This review paper addresses the type of emulsion, the microexplosion phenomenon, emulsion stability and physiochemical improvement, and effect of water content on the combustion and emissions of WiDE fuel. The review also covers the recent experimental methodologies used in the investigation of WiDE for both transport and stationary engine applications. In this review, the fuel injection pump and spray nozzle arrangement has been found to be the most critical components as far as the secondary atomization is concerned and further investigation of the effect of these components in the microexplosion of the emulsion is suggested to be center of focus.
    Matched MeSH terms: Models, Chemical*
  11. Woi PM, Bakar MA, Rosli AN, Lee VS, Ahmad MR, Zain S, et al.
    J Mol Model, 2014 May;20(5):2219.
    PMID: 24770548 DOI: 10.1007/s00894-014-2219-3
    DFT and G4 results reveal that cations display the following trends in imparting its positive charge to acrylonitrile; H⁺ > Li⁺ > Na⁺ > K⁺ for group I and Be²⁺ > Mg²⁺ > Ca²⁺ for group II. Solvation by water molecules and interaction with cation make the cyano bond more polarized and exhibits ketene-imine character. Bond order in nitrile-cation complexes has been predicted based on the s character of the covalent bond orbitals. Mulliken, CHELPG, and NPA charges are in good agreement in predicting positive charge buildup and GIAO nuclear deshileding on C1. G4 enthalpies show that Mg²⁺ is more strongly bound to acrylonitrile than to acetonitrile by 3 kcal mol⁻¹, and the proton affinity of the former is higher by 0.8 kcal mol⁻¹. G4 enthalpies of reductions support prior experimental observation that metalated conjugated nitriles show enhanced reactivity toward weak nucleophiles to afford Michael addition products.
    Matched MeSH terms: Models, Chemical
  12. Wisitponchai T, Shoombuatong W, Lee VS, Kitidee K, Tayapiwatana C
    BMC Bioinformatics, 2017 Apr 19;18(1):220.
    PMID: 28424069 DOI: 10.1186/s12859-017-1628-6
    BACKGROUND: Computational analysis of protein-protein interaction provided the crucial information to increase the binding affinity without a change in basic conformation. Several docking programs were used to predict the near-native poses of the protein-protein complex in 10 top-rankings. The universal criteria for discriminating the near-native pose are not available since there are several classes of recognition protein. Currently, the explicit criteria for identifying the near-native pose of ankyrin-protein complexes (APKs) have not been reported yet.

    RESULTS: In this study, we established an ensemble computational model for discriminating the near-native docking pose of APKs named "AnkPlex". A dataset of APKs was generated from seven X-ray APKs, which consisted of 3 internal domains, using the reliable docking tool ZDOCK. The dataset was composed of 669 and 44,334 near-native and non-near-native poses, respectively, and it was used to generate eleven informative features. Subsequently, a re-scoring rank was generated by AnkPlex using a combination of a decision tree algorithm and logistic regression. AnkPlex achieved superior efficiency with ≥1 near-native complexes in the 10 top-rankings for nine X-ray complexes compared to ZDOCK, which only obtained six X-ray complexes. In addition, feature analysis demonstrated that the van der Waals feature was the dominant near-native pose out of the potential ankyrin-protein docking poses.

    CONCLUSION: The AnkPlex model achieved a success at predicting near-native docking poses and led to the discovery of informative characteristics that could further improve our understanding of the ankyrin-protein complex. Our computational study could be useful for predicting the near-native poses of binding proteins and desired targets, especially for ankyrin-protein complexes. The AnkPlex web server is freely accessible at http://ankplex.ams.cmu.ac.th .

    Matched MeSH terms: Models, Chemical*
  13. Wan Ngah WS, Hanafiah MA
    J Environ Sci (China), 2008;20(10):1168-76.
    PMID: 19143339
    The efficiency of sodium hydroxide treated rubber (Hevea brasiliensis) leaves powder (NHBL) for removing copper ions from aqueous solutions has been investigated. The effects of physicochemical parameters on biosorption capacities such as stirring speed, pH, biosorbent dose, initial concentrations of copper, and ionic strength were studied. The biosorption capacities of NHBL increased with increase in pH, stirring speed and copper concentration but decreased with increase in biosorbent dose and ionic strength. The isotherm study indicated that NHBL fitted well with Langmuir model compared to Freundlich and Dubinin-Radushkevich models. The maximum biosorption capacity determined from Langmuir isotherm was 14.97 mg/g at 27 degrees C. The kinetic study revealed that pseudosecond order model fitted well the kinetic data, while Boyd kinetic model indicated that film diffusion was the main rate determining step in biosorption process. Based on surface area analysis, NHBL has low surface area and categorized as macroporous. Fourier transform infrared (FT-IR) analyses revealed that hydroxyl, carboxyl, and amino are the main functional groups involved in the binding of copper ions. Complexation was one of the main mechanisms for the removal of copper ions as indicated by FT-IR spectra. Ion exchange was another possible mechanism since the ratio of adsorbed cations (Cu2+ and H+) to the released cations (Na+, Ca2+, and Mg2+) from NHBL was almost unity. Copper ions bound on NHBL were able to be desorbed at > 99% using 0.05 mol/L HCl, 0.01 mol/L HNO3, and 0.01 mol/L EDTA solutions.
    Matched MeSH terms: Models, Chemical
  14. Wan Ngah WS, Hanafiah MA
    Bioresour Technol, 2008 Jul;99(10):3935-48.
    PMID: 17681755
    The application of low-cost adsorbents obtained from plant wastes as a replacement for costly conventional methods of removing heavy metal ions from wastewater has been reviewed. It is well known that cellulosic waste materials can be obtained and employed as cheap adsorbents and their performance to remove heavy metal ions can be affected upon chemical treatment. In general, chemically modified plant wastes exhibit higher adsorption capacities than unmodified forms. Numerous chemicals have been used for modifications which include mineral and organic acids, bases, oxidizing agent, organic compounds, etc. In this review, an extensive list of plant wastes as adsorbents including rice husks, spent grain, sawdust, sugarcane bagasse, fruit wastes, weeds and others has been compiled. Some of the treated adsorbents show good adsorption capacities for Cd, Cu, Pb, Zn and Ni.
    Matched MeSH terms: Models, Chemical
  15. Wan Daud WR, Djuned FM
    Carbohydr Polym, 2015 Nov 5;132:252-60.
    PMID: 26256348 DOI: 10.1016/j.carbpol.2015.06.011
    Acetone soluble oil palm empty fruit bunch cellulose acetate (OPEFB-CA) of DS 2.52 has been successfully synthesized in a one-step heterogeneous acetylation of OPEFB cellulose without necessitating the hydrolysis stage. This has only been made possible by the mathematical modeling of the acetylation process by manipulating the variables of reaction time and acetic anhydride/cellulose ratio (RR). The obtained model was verified by experimental data with an error of less than 2.5%. NMR analysis showed that the distribution of the acetyl moiety among the three OH groups of cellulose indicates a preference at the C6 position, followed by C3 and C2. XRD revealed that OPEFB-CA is highly amorphous with a degree of crystallinity estimated to be ca. 6.41% as determined from DSC. The OPEFB-CA films exhibited good mechanical properties being their tensile strength and Young's modulus higher than those of the commercial CA.
    Matched MeSH terms: Models, Chemical
  16. Wahab HA, Yam WK, Samian MR, Najimudin N
    J Biomol Struct Dyn, 2008 Aug;26(1):131-46.
    PMID: 18533733
    Macrolides are a group of diverse class of naturally occurring and synthetic antibiotics made of macrocyclic-lactone ring carrying one or more sugar moieties linked to various atoms of the lactone ring. These macrolides selectively bind to a single high affinity site on the prokaryotic 50S ribosomal subunit, making them highly effective towards a wide range of bacterial pathogens. The understanding of binding between macrolides and ribosome serves a good basis in elucidating how they work at the molecular level and these findings would be important in rational drug design. Here, we report refinement of reconstructed PDB structure of erythromycin-ribosome system using molecular dynamics (MD) simulation. Interesting findings were observed in this refinement stage that could improve the understanding of the binding of erythromycin A (ERYA) onto the 50S subunit. The results showed ERYA was highly hydrated and water molecules were found to be important in bridging hydrogen bond at the binding pocket during the simulation time. ERYA binding to ribosome was also strengthened by hydrogen bond network and hydrophobic interactions between the antibiotic and the ribosome. Our MD simulation also demonstrated direct interaction of ERYA with Domains II, V and with C1773 (U1782EC), a residue in Domain IV that has yet been described of its role in ERYA binding. It is hoped that this refinement will serve as a starting model for a further enhancement of our understanding towards the binding of ERYA to ribosome.
    Matched MeSH terms: Models, Chemical
  17. Wahab HA, Amaro RE, Cournia Z
    J Chem Inf Model, 2018 11 26;58(11):2175-2177.
    PMID: 30277769 DOI: 10.1021/acs.jcim.8b00642
    Matched MeSH terms: Models, Chemical
  18. Van Tran T, Nguyen DTC, Nguyen HT, Nanda S, Vo DN, Do ST, et al.
    Environ Sci Pollut Res Int, 2019 Sep;26(27):28106-28126.
    PMID: 31363978 DOI: 10.1007/s11356-019-06011-2
    The occurrence and fate of antibiotic compounds in water can adversely affect human and animal health; hence, the removal of such substrates from soil and water is indispensable. Herein, we described the synthesis method of mesoporous carbon (MPC) via the pyrolysis route from a coordination polymer Fe-based MIL-53 (or MIL-53, shortly). The MPC structure was analyzed by several physical techniques such as SEM, TEM, BET, FT-IR, VSM, and XRD. The response surface methodology (RSM) was applied to find out the effects of initial concentration, MPC dosage, and pH on the removal efficiency of trimethoprim (TMP) and sulfamethoxazole (SMX) antibiotics in water. Under the optimized conditions, the removal efficiencies of TMP and SMX were found to be 87% and 99%, respectively. Moreover, the adsorption kinetic and isotherm studies showed that chemisorption and the monolayer adsorption controlled the adsorption process. The leaching test and recyclability studies indicated that the MPC structure was stable and can be reused for at least four times without any considerable change in the removal efficiency. Plausible adsorption mechanisms were also addressed in this study. Because of high maximum adsorption capacity (85.5 mg/g and 131.6 mg/g for TMP and SMX, respectively) and efficient reusability, MPC is recommended to be a potential adsorbent for TMP and SMX from water media.
    Matched MeSH terms: Models, Chemical
  19. Umar M, Aziz HA, Yusoff MS
    Waste Manag, 2010 Nov;30(11):2113-21.
    PMID: 20675113 DOI: 10.1016/j.wasman.2010.07.003
    Advanced oxidation processes (AOPs) such as Fenton, electro-Fenton and photo-Fenton have been applied effectively to remove refractory organics from landfill leachate. The Fenton reaction is based on the addition of hydrogen peroxide to the wastewater or leachate in the presence of ferrous salt as a catalyst. The use of this technique has proved to be one of the best compromises for landfill leachate treatment because of its environmental and economical advantages. Fenton process has been used successfully to mineralize wide range of organic constituents present in landfill leachate particularly those recalcitrant to biological degradation. The present study reviews the use of Fenton and related processes in terms of their increased application to landfill leachate. The effects of various operating parameters and their optimum ranges for maximum COD and color removal are reviewed with the conclusion that the Fenton and related processes are effective and competitive with other technologies for degradation of both raw and pre-treated landfill leachate.
    Matched MeSH terms: Models, Chemical
  20. Uddin MJ, Khan WA, Amin NS
    PLoS One, 2014;9(6):e99384.
    PMID: 24927277 DOI: 10.1371/journal.pone.0099384
    The unsteady two-dimensional laminar g-Jitter mixed convective boundary layer flow of Cu-water and Al2O3-water nanofluids past a permeable stretching sheet in a Darcian porous is studied by using an implicit finite difference numerical method with quasi-linearization technique. It is assumed that the plate is subjected to velocity and thermal slip boundary conditions. We have considered temperature dependent viscosity. The governing boundary layer equations are converted into non-similar equations using suitable transformations, before being solved numerically. The transport equations have been shown to be controlled by a number of parameters including viscosity parameter, Darcy number, nanoparticle volume fraction, Prandtl number, velocity slip, thermal slip, suction/injection and mixed convection parameters. The dimensionless velocity and temperature profiles as well as friction factor and heat transfer rates are presented graphically and discussed. It is found that the velocity reduces with velocity slip parameter for both nanofluids for fluid with both constant and variable properties. It is further found that the skin friction decreases with both Darcy number and momentum slip parameter while it increases with viscosity variation parameter. The surface temperature increases as the dimensionless time increases for both nanofluids. Nusselt numbers increase with mixed convection parameter and Darcy numbers and decreases with the momentum slip. Excellent agreement is found between the numerical results of the present paper with published results.
    Matched MeSH terms: Models, Chemical*
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