Polyaniline (PANI) and polyaniline composites with aluminium oxide (Al2O3) were prepared using the in situ polymerization method. The composites were then blended with acrylic paint and applied to carbon steel panels. The coated steel panels were evaluated for corrosion using the immersion test technique. The results revealed that the steel panels coated with polyaniline composites and with Al2O3 containing coatings had small corrosion as compared to the bare sample and the samples coated with polyaniline and paint alone. The samples were characterized by Fourier transform infrared (FTIR) and X-ray diffraction(XRD). In addition, the morphology of the finished samples was observed using the scanning electron microscopy (SEM). This novel composite was used as a paint pigment for enhancing the barrier properties and the paint protectable against aggressive ions. Meanwhile, corrosion was evaluated through visual monitoring using a digital camera after 60 days of fully immersion test in 5% NaCl. The weight loss method was also used to evaluate corrosion.
Two inorganic pigments (TiO2 and SiO2) were used to prepare composites with polyaniline (PANI) by situ polymerization method. PANI and PANI composites with SiO2 and TiO2 were characterized using Fourier transform infrared spectroscopy and X-ray diffraction. The morphology of the synthesized pigments (PANI , PANI-SiO2 and PANI-TiO2) was examined using scanning electron microscopy. Samples were then used as pigments through blending them with acrylic paint and applied on the surface of carbon steel panels. Corrosion was evaluated for coating of carbon steel panels through full immersion test up to standard ASTMG 31. Mass loss was calculated after they have been exposed in acidic media. A digital camera was also used for monitoring corrosion visually on the surface of carbon steel specimens. The results revealed that acrylic paint pigmented by PANI-SiO2 composite was more efficient in corrosion protection for carbon steel compared with the other synthesized pigments.
Nanocrystalline lead sulfide (PbS) thin films have been successfully grown on glass substrate using the chemical bath deposition technique. Microwave oven was used as a heating source to facilitate the growth process of the thin films. Aqueous solutions of lead nitrate Pb(NO3) and thiourea [SC(NH2)2] were used as lead and sulfur ion sources, respectively. Structural, morphological and optical analyses revealed good quality growth of nanocrystalline PbS thin films. This study introduced a facile and low cost method to prepare high quality nanocrystalline PbS thin films in a relatively short growth time for optoelectronic applications.
Functional Electrical Stimulation (FES) can be used to revive movement
functions of the human body to a certain degree which was lost due to
occurrences of the nervous system disorders resulting from accidents or
diseases. It can also be employed for gait rehabilitation as well as therapy.
Control systems could be employed to improve on the FES-induced motion,
and the closed-loop was targeted due to its advantages. Based on the papers
reviewed, studies have shown that the linear control schemes are popular for
movement restoration in the lower limb, but mostly for continuous standing
contributing to mainly the stance phase. Therefore, a myriad of limitations
was observed which include: the need for using improved sensors, re-tuning
for every subject, tests conducted using patient with more straightforward
ailments, complexity in implementation and most importantly is the issue of
stability. The swing phase of gait movement and the full walking motion have
more complex dynamics and coupled with the nature of the plant (human with
nervous system disorder and the neuromuscular structure) could render the
linear control method obsolete or unsuitable. Hence, there is a need to
investigate other techniques such as the nonlinear and intelligent control
Acacia polyacantha gum (APG) is a dried exudate which obtained from the stems and branches of Acacia polyacantha trees. APG is rich in soluble dietary fibers as well as organic compounds. In this study quantitation of the levels of total phenolics content (TPC) and antioxidant activities were conducted using ABTS and CUPRAC assays for APG extraction using pure solvents (methanol, ethanol, acetone) and their aqueous mixtures at 50% and 100%. The antioxidant levels were evaluated by 2,2’-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS+) radical cation deculturization and cupric iron reducing capacity in the presence of neocuproine (CUPRAC) for the evaluation of reducing power, and (TPC) was evaluated by the Folin-Ciocalteu method. The solvent Methanol (50%) gave the best extraction ratio for APG presented by highest (TPC 60.78 mg GAE/100g of DW, CUPRAC 34.65 mg TE/100g DW, and, ABTS about 37.65 mg TE/100g DW respectively), followed by ethanol 50% extract. On the other hand, pure methanol showed the lowest TPC 5.33 mg GAE/100g of DW, ABTS 10.9 mg TE/100g DW, and CUPRAC 7.80 mg TE/100g DW, values respectively. Therefore, the variation in the antioxidant capacity of extracts was possibly due to the difference of polarity, immiscibility and the nature of the APG compounds extracted using various solvents. The higher content of antioxidant activity in APG shall be useful to human health if it is properly utilized.
One of the best ways to enhance heat transfer coefficient is by improving thermal properties of the
working fluid. Gold/water nanofluid flow through horizontal minitube with very low Reynolds number
was simulated by using Thermal Lattice Boltzmann Method (TLBM) under uniform heat flux boundary
condition. The effect of different volume fraction of nanoparticles on the heat transfer coefficient was
studied and compared with the base fluid (water). The results were verified using Finite Volume Method
(FVM). The results showed enhancement of heat transfer coefficient when using gold/water nanofluid
and this enhancement depends on the volume concentration of Gold nanoparticles. The maximum
enhancement was 18% with 0.03 volume concentration.
Newly synthesized coumarins 4-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)-methoxy)-2H-chromen-2-one and 4-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)-methoxy)-2H-chromen-2-one were tested against selected types of fungi and showed significant activities. DFT calculations of the synthesized coumarins were performed using molecular structures with optimized geometries. Molecular orbital calculations provide a detailed description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms.
Metal complexes of (Z)-2-(pyrrolidin-2-ylidene)hydrazinecarbothioamide (L) with Cu(II), Co(II), and Ni(II) chlorides were tested against selected types of fungi and were found to have significant antifungal activities. The free-radical-scavenging ability of the metal complexes was determined by their interaction with the stable free radical 2,2''-diphenyl-1-picrylhydrazyl, and all the compounds showed encouraging antioxidant activities. DFT calculations of the Cu complex were performed using molecular structures with optimized geometries. Molecular orbital calculations provide a detailed description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms.
This study aimed to compare the biomechanical behaviour of functionally graded structured posts (FGSPs) and homogenous-type posts in simulated models of a maxillary central incisor. Two models of FGSPs consisting of a multilayer xTi-yHA composite design, where zirconia and alumina was added as the first layer for models A and B respectively were compared to homogenous zirconia post (model C) and a titanium post (model D). The amount of Ti and HA in the FGSP models was varied in gradations. 3D-FEA was performed on all models and stress distributions were investigated along the dental post. In addition, interface stresses between the posts and their surrounding structures were investigated under vertical, oblique, and horizontal loadings. Strain distribution along the post-dentine interface was also investigated. The results showed that FGSPs models, A and B demonstrated better stress distribution than models C and D, indicating that dental posts with multilayered structure dissipate localized and interfacial stress and strain more efficiently than homogenous-type posts.
The antioxidant activity of two synthesized coumarins namely, N-(4,7-dioxo-2- phenyl-1,3-oxazepin-3(2H,4H,7H)-yl)-2-(2-oxo-2H-chromen-4-yloxy)acetamide 5 and N-(4-oxo-2-phenylthiazolidin-3-yl)-2-(2-oxo-2H-chromen-4-yloxy)acetamide 6 were studied with the DPPH, hydrogen peroxide and nitric oxide radical methods and compared with the known antioxidant ascorbic acid. Compounds 5 and 6 were synthesized in a good yield from the addition reaction of maleic anhydride or mercaptoacetic acid to compound 4, namely N'-benzylidene-2-(2-oxo-2H-chromen-4-yloxy)acetohydrazide. Compound 4 was synthesized by the condensation of compound 3, namely 2-(2-oxo-2H-chromen-4-yloxy) acetohydrazide, with benzaldehyde. Compound 3, however, was synthesized from the addition of hydrazine to compound 2, namely ethyl 2-(2-oxo-2H-chromen-4-yloxy)acetate, which was synthesized from the reaction of ethyl bromoacetate with 4-hydroxycoumarin 1. Structures for the synthesized coumarins 2-6 are proposed on the basis of spectroscopic evidence.
New coumarin derivatives, namely 7-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-2H-chromen-2-one, 5-[(2-oxo-2H-chromen-7-yloxy)methyl]-1,3,4-thiadiazol-2(3H)-one, 2-[2-(2-oxo-2H-chromen-7-yloxy)acetyl]-N-phenylhydrazinecarbothioamide, 7-[(5-(phenylamino)-1,3,4-thiadiazol-2-yl)methoxy]-2H-chromen-2-one and 7-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methoxy]-2H-chromen-2-one were prepared starting from the natural compound umbelliferone. The newly synthesized compounds were characterized by elemental analysis and spectral studies (IR, ¹H-NMR and ¹³C-NMR).
3-Aminocoumarin (L) has been synthesized and used as a ligand for the formation of Cr(III), Ni(II), and Cu(II) complexes. The chemical structures were characterized using different spectroscopic methods. The elemental analyses revealed that the complexes where M=Ni(II) and Cu(II) have the general formulae [ML(2)Cl(2)], while the Cr(III) complex has the formula [CrL(2)Cl(2)]Cl. The molar conductance data reveal that all the metal chelates, except the Cr(III) one, are non-electrolytes. From the magnetic and UV-Visible spectra, it is found that these complexes have octahedral structures. The stability for the prepared complexes was studied theoretically using Density Function Theory. The total energy for the complexes was calculated and it was shown that the copper complex is the most stable one. Complexes were tested against selected types of microbial organisms and showed significant activities. The free radical scavenging activity of metal complexes have been determined by measuring their interaction with the stable free radical DPPH and all the compounds have shown encouraging antioxidant activities.
Malaria remains a major public health problem causing mortality and morbidity in tropical and subtropical countries. A cross-sectional study was carried out to determine malaria prevalence and its clinical pattern during malaria season in Yemen. Blood samples were collected from 511 patients with fever who voluntary participated in this study, of them 268 were males and 242 females. Malaria was screened using Giemsa-stained thick and thin blood films. Clinical profile was recorded through physical and laboratory examinations and biodata were collected by pre-tested standard questionnaire. The overall prevalence was 15.3%. Three malaria species (Plasmodium falciparum, Plasmodium vivax and Plasmodium malarae) were detected with the predominance of P. falciparum (83.33%). People living in the rural areas had higher infection rate compared to urban areas (p < 0.005). Children were at higher risk of developing severe malaria compared to adults (p < 0.05). Severe anaemia, respiratory distress, jaundice, convulsion and bleeding were more apparent among younger age groups of malaria cases compared to older children. The study indicates that malaria is still a public health problem with children being at high risk of developing severe malaria which may lead to death.
The novel curcumin derivative (1E,4Z,6E)-5-chloro-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one (5-chlorocurcumin) was prepared from natural curcumin. The newly synthesised compound was characterised by spectral studies (IR, 1H NMR, and 13C NMR). The free radical scavenging activity of 5-chlorocurcumin has been determined by measuring interaction with the stable free radical DPPH, and 5-chlorocurcumin has shown encouraging antioxidant activities. Theory calculations of the synthesised 5-chlorocurcumin were performed using molecular structures with optimised geometries. Molecular orbital calculations provided a detailed description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms.
In this study, titanium thin films were deposited on alumina substrates by radio frequency (RF) magnetron sputtering. The mechanical properties of the Ti coatings were evaluated in terms of adhesion strength at various RF powers, temperatures, and substrate bias voltages. The coating conditions of 400W of RF power, 250°C, and a 75V substrate bias voltage produced the strongest coating adhesion, as obtained by the Taguchi optimisation method. TiO2 nanotube arrays were grown as a second layer on the Ti substrates using electrochemical anodisation at a constant potential of 20V and anodisation times of 15min, 45min, and 75min in a NH4F electrolyte solution (75 ethylene glycol: 25 water). The anodised titanium was annealed at 450°C and 650°C in a N2 gas furnace to obtain different phases of titania, anatase and rutile, respectively. The mechanical properties of the anodised layer were investigated by nanoindentation. The results indicate that Young's modulus and hardness increased with annealing temperature to 650°C.
2-(1-methyl-4-((E)-(2-methylbenzylidene)amino)-2-phenyl-1H-pyrazol-3(2H)-ylidene)-hydrazineecarbothioamide (HCB) was synthesized as a corrosion inhibitor from the reaction of 4-aminoantipyrine, thiosemicarbazide and 2-methylbenzaldehyde. The corrosion inhibitory effects of HCB on mild steel in 1.0 M HCl were investigated using potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). The results showed that HCB inhibited mild steel corrosion in acidic solution and inhibition efficiency increased with an increase in the concentration of the inhibitor. The inhibition efficiency was up to 96.5% at 5.0 mM. Changes in the impedance parameters suggested that HCB adsorbed on the surface of mild steel, leading to the formation of a protective film. The novel corrosion inhibitor synthesized in the present study was characterized using Fourier transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (NMR) spectral data.
Many of the similarity-based virtual screening approaches assume that molecular fragments that are not related to the biological activity carry the same weight as the important ones. This was the reason that led to the use of Bayesian networks as an alternative to existing tools for similarity-based virtual screening. In our recent work, the retrieval performance of the Bayesian inference network (BIN) was observed to improve significantly when molecular fragments were reweighted using the relevance feedback information. In this paper, a set of active reference structures were used to reweight the fragments in the reference structure. In this approach, higher weights were assigned to those fragments that occur more frequently in the set of active reference structures while others were penalized. Simulated virtual screening experiments with MDL Drug Data Report datasets showed that the proposed approach significantly improved the retrieval effectiveness of ligand-based virtual screening, especially when the active molecules being sought had a high degree of structural heterogeneity.
Recently, the use of the Bayesian network as an alternative to existing tools for similarity-based virtual screening has received noticeable attention from researchers in the chemoinformatics field. The main aim of the Bayesian network model is to improve the retrieval effectiveness of similarity-based virtual screening. To this end, different models of the Bayesian network have been developed. In our previous works, the retrieval performance of the Bayesian network was observed to improve significantly when multiple reference structures or fragment weightings were used. In this article, the authors enhance the Bayesian inference network (BIN) using the relevance feedback information. In this approach, a few high-ranking structures of unknown activity were filtered from the outputs of BIN, based on a single active reference structure, to form a set of active reference structures. This set of active reference structures was used in two distinct techniques for carrying out such BIN searching: reweighting the fragments in the reference structures and group fusion techniques. Simulated virtual screening experiments with three MDL Drug Data Report data sets showed that the proposed techniques provide simple ways of enhancing the cost-effectiveness of ligand-based virtual screening searches, especially for higher diversity data sets.
Landfills are sources of groundwater and soil pollution due to the production of leachate and its migration through refuse. This study was conducted in order to determine the extent of groundwater and soil pollution within and around the landfill of Seri Petaling located in the State of Selangor, Malaysia. The condition of nearby surface water was also determined. An electrical resistivity imaging survey was used to investigate the leachate production within the landfill. Groundwater geochemistry was carried out and chemical analysis of water samples was conducted upstream and downstream of the landfill. Surface water was also analyzed in order to determine its quality. Soil chemical analysis was performed on soil samples taken from different locations within and around the landfill in the vadose zone (unsaturated zone) and below the water table (in the soil saturated zone). The resistivity image along line L-L1 indicated the presence of large zones of decomposed waste bodies saturated with highly conducting leachate. Analysis of trace elements indicated their presence in very low concentrations and did not reflect any sign of heavy metal pollution of ground and surface water or of soil. Major ions represented by Na, K, and Cl were found in anomalous concentrations in the groundwater of the downstream bore hole, where they are 99.1%, 99.2%, and 99.4%, respectively, higher compared to the upstream bore hole. Electrical conductivity (EC) was also found in anomalous concentration downstream. Ca and Mg ions represent the water hardness (which is comparatively high downstream). There is a general trend of pollution towards the downstream area. Sulfates (SO4) and nitrates (NO3) are found in the area in low concentrations, even below the WHO standards for drinking water, but are significantly higher in the surface water compared to the groundwater. Phosphate (PO4) and nitrite (NO2), although present in low levels, are significantly higher at the downstream. There is no significant difference in the amount of fluoride (F) in the different locations. In the soil vadose zone, heavy metals were found to be in their typical normal ranges and within the background concentrations. Soil exchangeable bases were significantly higher in the soil saturated zone compared to the vadose zone, and no significant difference was obtained in the levels of inorganic pollutants. With the exception of Cd, the concentration ranges of all trace elements (Cu, Zn, Cr, Pb, and Ni) of Seri Petaling landfill soils were below the upper limits of baseline concentrations published from different sources.
The photodegradation rate constant and surface morphology of poly(vinyl chloride), upon irradiation with ultraviolet light was investigated in the presence of polyphosphates as photostabilizers. Poly(vinyl chloride) photodegradation rate constant was lower for the films containing polyphosphates compared to the blank film. In addition, the surface morphology of the irradiated poly(vinyl chloride) containing polyphosphates, examined by scanning electron microscopy, indicates that the surface was much smoother compared to the blank film.