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Extraction of dynamic features from hand drawn data for the identification of children with handwriting difficulty

Khalid PI, Yunus J, Adnan R

Res Dev Disabil, 2010 Jan-Feb;31(1):256-62.
PMID: 19854613 DOI: 10.1016/j.ridd.2009.09.009

Studies have shown that differences between children with and without handwriting difficulties lie not only in the written product (static data) but also in dynamic data of handwriting process. Since writing system varies among countries and individuals, this study was conducted to determine the feasibility of using quantitative outcome measures of children's drawing to identify children who are at risk of handwriting difficulties. A sample of 143 first graders of a normal primary school was investigated regarding their handwriting ability. The children were divided into two groups: test and control. Ten children from test group and 40 children from control group were individually tested for their Visual Motor Integration skills. Analysis on dynamic data indicated significant differences between the two groups in temporal and spatial measures of the drawing task performance. Thus, kinematic analysis of children's drawing is feasible to provide performance characteristic of handwriting ability, supporting its use in screening for handwriting difficulty.
A mini-review on rare earth metal-doped TiO2 for photocatalytic remediation of wastewater

Saqib NU, Adnan R, Shah I

Environ Sci Pollut Res Int, 2016 Aug;23(16):15941-51.
PMID: 27335012 DOI: 10.1007/s11356-016-6984-7

Titanium dioxide (TiO2) has been considered a useful material for the treatment of wastewater due to its non-toxic character, chemical stability and excellent electrical and optical properties which contribute in its wide range of applications, particularly in environmental remediation technology. However, the wide band gap of TiO2 photocatalyst (anatase phase, 3.20 eV) limits its photocatalytic activity to the ultraviolet region of light. Besides that, the electron-hole pair recombination has been found to reduce the efficiency of the photocatalyst. To overcome these problems, tailoring of TiO2 surface with rare earth metals to improve its surface, optical and photocatalytic properties has been investigated by many researchers. The surface modifications with rare earth metals proved to enhance the efficiency of TiO2 photocatalyts by way of reducing the band gap by shifting the working wavelength to the visible region and inhibiting the anatase-to-rutile phase transformations. This review paper summarises the attempts on modification of TiO2 using rare earth metals describing their effect on the photocatalytic activities of the modified TiO2 photocatalyst.
Fulltext Low concentration of silver nanoparticles not only enhances the activity of horseradish peroxidase but alter the structure also

Karim Z, Adnan R, Ansari MS

PLoS One, 2012;7(7):e41422.
PMID: 22848490 DOI: 10.1371/journal.pone.0041422

Chemical synthesis of Ag-NPs was carried out using reduction method. The reduction mechanistic approach of silver ions was found to be a basic clue for the formation of the Ag-NPs. The nanoparticles were characterized by UV-vis, FT-IR and TEM analysis. We had designed some experiments in support of our hypothesis, "low concentrations of novel nanoparticles (silver and gold) increases the activity of plant peroxidases and alter their structure also", we had used Ag-NPs and HRP as models. The immobilization/interaction experiment had demonstrated the specific concentration range of the Ag-NPs and within this range, an increase in HRP activity was reported. At 0.08 mM concentration of Ag-NPs, 50% increase in the activity yield was found. The U.V-vis spectra had demonstrated the increase in the absorbance of HRP within the reported concentration range (0.06-0.12 mM). Above and below this concentration range there was a decrease in the activity of HRP. The results that we had found from the fluorescence spectra were also in favor of our hypothesis. There was a maximum increase in ellipticity and α-helix contents in the presence of 0.08 mM concentration of Ag-NPs, demonstrated by circular dichroism (CD) spectra. Finally, incubation of a plant peroxidase, HRP with Ag-NPs, within the reported concentration range not only enhances the activity but also alter the structure.
Evaluation of aeration strategy in moving bed sequencing batch reactor performing simultaneous 4-chlorophenol and nitrogen removal

Lim JW, Lim PE, Seng CE, Adnan R

Appl Biochem Biotechnol, 2013 Jun;170(4):831-40.
PMID: 23613119 DOI: 10.1007/s12010-013-0245-8

The aeration strategy ranging from intermittent to continuous aeration in the REACT period of moving bed sequencing batch reactor (MBSBR) was evaluated for simultaneous removal of 4-chlorophenol (4-CP) and nitrogen. The results show that the removal rates of 4-CP and ammonium nitrogen (NH(4)(+)-N) increased with the increase of continuous aeration period. In the presence of 4-CP, NH(4)(+)-N removal was mainly by the assimilation process. The removal of NH(4)(+)-N to oxidized nitrogen via oxidation was only observed after 4-CP was completely degraded with sufficient aeration period provided indicating the inhibitory effect of 4-CP on nitrification. As the intermittent aeration strategy would lead to slower 4-CP degradation resulting in the delay of nitrification process, continuous aeration would be the preferred strategy in the simultaneous removal of 4-CP and nitrogen in the MBSBR system.
Immobilized acclimated biomass-powdered activated carbon for the bioregeneration of granular activated carbon loaded with phenol and o-cresol

Toh RH, Lim PE, Seng CE, Adnan R

Bioresour Technol, 2013 Sep;143:265-74.
PMID: 23796608 DOI: 10.1016/j.biortech.2013.05.126

The objectives of the study are to use immobilized acclimated biomass and immobilized biomass-powdered activated carbon (PAC) as a novel approach in the bioregeneration of granular activated carbon (GAC) loaded with phenol and o-cresol, respectively, and to compare the efficiency and rate of the bioregeneration of the phenolic compound-loaded GAC using immobilized and suspended biomasses under varying GAC dosages. Bioregeneration of GAC loaded with phenol and o-cresol, respectively, was conducted in batch system using the sequential adsorption and biodegradation approach. The results showed that the bioregeneration efficiency of GAC loaded with phenol or o-cresol was basically the same irrespective of whether the immobilized or suspended biomass was used. Nonetheless, the duration for bioregeneration was longer under immobilized biomass. The beneficial effect of immobilized PAC-biomass for bioregeneration is the enhancement of the removal rate of the phenolic compounds via adsorption and the shortening of the bioregeneration duration.
Fulltext A structural study of epoxidized natural rubber (ENR-50) and its cyclic dithiocarbonate derivative using NMR spectroscopy techniques

Hamzah R, Bakar MA, Khairuddean M, Mohammed IA, Adnan R

Molecules, 2012 Sep 12;17(9):10974-93.
PMID: 22971583 DOI: 10.3390/molecules170910974

A structural study of epoxidized natural rubber (ENR-50) and its cyclic dithiocarbonate derivative was carried out using NMR spectroscopy techniques. The overlapping (1)H-NMR signals of ENR-50 at δ 1.56, 1.68-1.70, 2.06, 2.15-2.17 ppm were successfully assigned. In this work, the C=S and quaternary carbon of cyclic dithiocarbonate. All other (1)H- and (13)C-NMR chemical shifts of the derivative remain unchanged with respect to the ENR-50.
Enantioselective analysis of ofloxacin and ornidazole in pharmaceutical formulations by capillary electrophoresis using single chiral selector and computational calculation of their inclusion complexes

Al Azzam KM, Saad B, Adnan R, Aboul-Enein HY

Anal Chim Acta, 2010 Aug 3;674(2):249-55.
PMID: 20678638 DOI: 10.1016/j.aca.2010.06.046

A capillary electrophoretic method for the separation of the enantiomers of both ofloxacin and ornidazole is described. Several parameters affecting the separation were studied, including the type and concentration of chiral selector, buffer pH, voltage and temperature. Good chiral separation of the racemic mixtures was achieved in less than 16 min with resolution factors Rs=5.45 and 6.28 for ofloxacin and ornidazole enantiomers, respectively. Separation was conducted using a bare fused-silica capillary and a background electrolyte (BGE) of 50 mM H(3)PO(4)-1 M tris solution; pH 1.85; containing 30 mg mL(-1) of sulfated-beta-cyclodextrin (S-beta-CD). The separation was carried out in reversed polarity mode at 25 degrees C, 18 kV, detection wavelength at 230 nm and using hydrodynamic injection for 15 s. Acceptable validation criteria for selectivity, linearity, precision, and accuracy were studied. The limits of detection (LOD) and limits of quantitation (LOQ) of the enantiomers (ofloxacin enantiomer 1 (OF-E1), ofloxacin enantiomer 2 (OF-E2), ornidazole enantiomer 1 (OR-E1) and ornidazole enantiomer 2 (OR-E2)) were (0.52, 0.46, 0.54, 0.89) and (1.59, 1.40, 3.07, 2.70) microg mL(-1), respectively. The proposed method was successfully applied to the assay of enantiomers of both ofloxacin and ornidazole in pharmaceutical formulations. The computational calculations for the enantiomeric inclusion complexes rationalized the reasons for the different migration times between the ofloxacin and ornidazole enantiomers.
Simultaneous 4-chlorophenol and nitrogen removal in moving bed sequencing batch reactors packed with polyurethane foam cubes of various sizes

Lim JW, Lim PE, Seng CE, Adnan R

Bioresour Technol, 2013 Feb;129:485-94.
PMID: 23266850 DOI: 10.1016/j.biortech.2012.11.111

Moving bed sequencing batch reactors (MBSBRs) packed with 8% (v/v) of 8-, 27- and 64-mL polyurethane (PU) foam cubes, respectively, were investigated for simultaneous 4-chlorophenol (4-CP) and nitrogen removal at increasing 4-CP concentration. When the 4-CP concentration exceeded 300 mg L(-1), the MBSBR with 27-mL foam cubes was observed to outperform the other MBSBRs in removing 4-CP and nitrogen. The reasons were: (1) there were more biomass in inner layer of the 27-mL cubes, compared to that of the 8-mL cubes, which was more shielded from the inhibitory effect of 4-CP and (2) the 27-mL cubes were more mobile than the 64-mL cubes. Although increasing 4-CP concentration to 600 mg L(-1) resulted in incomplete removal of 4-CP in the MBSBRs, results of the batch reactor with 27-mL foam cubes showed that complete 4-CP removal within the REACT period could be achieved by increasing the packing volume to 20%.
Fulltext Iron impregnated activated carbon as an efficient adsorbent for the removal of methylene blue: regeneration and kinetics studies

Shah I, Adnan R, Wan Ngah WS, Mohamed N

PLoS One, 2015;10(4):e0122603.
PMID: 25849291 DOI: 10.1371/journal.pone.0122603

In this study, iron impregnated activated carbon (FeAC) was synthesized following an oxidation and iron impregnation of activated carbon (AC). Both the AC and FeAC were characterized by pHZPC and FTIR spectroscopy. The removal of Methylene Blue (MB) by AC and FeAC was examined under various experimental conditions. The FeAC showed up to 95% (higher than AC) MB removal in the pH range of 7-10. Although the reaction kinetics was pseudo-second order, the overall rate was controlled by a number of processes such as film diffusion, pore diffusion and intraparticle diffusion. The activation energy values for the MB uptake by AC and FeAC (21.79 and 14.82 kJ/mol, respectively) revealed a physisorption process. In the regeneration study, FeAC has shown consistently ≥ 90% MB removal even up to 10 repeated cycles. The reusable characteristic of the spent FeAC improved the practical use of activated carbon and can be a breakthrough for continuous flow system applications where it can work effectively without any significant reduction in its performance.
Immobilization of horseradish peroxidase on β-cyclodextrin-capped silver nanoparticles: Its future aspects in biosensor application

Karim Z, Khan MJ, Maskat MY, Adnan R

Prep Biochem Biotechnol, 2016 May 18;46(4):321-7.
PMID: 25830286 DOI: 10.1080/10826068.2015.1031389

This study aimed to work out a simple and high-yield procedure for the immobilization of horseradish peroxidase on silver nanoparticle. Ultraviolet-visible (UV-vis) and Fourier-transform infrared spectroscopy and transmission electron microscopy were used to characterize silver nanoparticles. Horseradish peroxidase was immobilized on β-cyclodextrin-capped silver nanoparticles via glutaraldehyde cross-linking. Single-cell gel electrophoresis (Comet assay) was also performed to confirm the genotoxicity of silver nanoparticles. To decrease toxicity, silver nanoparticles were capped with β-cyclodextrin. A comparative stability study of soluble and immobilized enzyme preparations was investigated against pH, temperature, and chaotropic agent, urea. The results showed that the cross-linked peroxidase was significantly more stable as compared to the soluble counterpart. The immobilized enzyme exhibited stable enzyme activities after repeated uses.
Impact of gender on sexual problems and perceptions among urban Malay elderly in Malaysia

Minhat HS, Mat Din H, Vasudevan R, Raja Adnan RNE, Ibrahim R

Arch Gerontol Geriatr, 2019 01 08;81:240-244.
PMID: 30669017 DOI: 10.1016/j.archger.2019.01.001

BACKGROUND: Physical and pathological changes associated with advancing age affect sexual behaviours of the elderly. The aim of this study was to explore the impact of gender on sexual problems and perceptions among the urban Malay elderly.
METHODS: A cross-sectional study was conducted among 160 Malaysian elderly participants aged 60 years and older who live in Kuala Lumpur. Twelve neighbourhood associations were randomly selected using multi-stage cluster sampling. Data was collected using standardized and validated questionnaire by face-to-face interview technique with which was conducted by trained interviewers.
RESULTS: Mean age of the participants was 65.33 (5.87) year old with majority were still married. Female (55.7%) reported more sexual problems as evidenced by the higher proportion of those with lacked interest in having sex (72.5%), find sex is unpleasant (34.8%) and unable to come to orgasm (55.1%). Gender was found to have significant impact on every model obtained in the analysis for both sexual problems and perceptions. Female elderly were 10.6 times more likely to have sexual problem compared to male elderly (OR = 10.64, P
Comparative study between Pap smear cytology and FTIR spectroscopy: a new tool for screening for cervical cancer

El-Tawil SG, Adnan R, Muhamed ZN, Othman NH

Pathology, 2008 Oct;40(6):600-3.
PMID: 18752127 DOI: 10.1080/00313020802320622

AIMS: To evaluate Fourier transform infrared (FTIR) spectroscopy as new tool for screening of cervical cancer in comparison with cervical cytology.
METHODS: A total of 800 cervical scrapings were taken by cytobrush and placed in ThinPrep medium. The samples were dried over infrared transparent matrix. Beams of infrared light were directed at the dried samples at frequency of 4000 to 400 cm(-1). The absorption data were produced using a Spectrum BX II FTIR spectrometer. Data were compared with the reference absorption data of known samples using FTIR spectroscopy software. FTIR spectroscopy was compared with cytology (gold standard).
RESULTS: FTIR spectroscopy could differentiate normal from abnormal cervical cells in the samples examined. The sensitivity was 85%, specificity 91%, positive predictive value 19.5% and negative predictive value of 99.5%.
CONCLUSION: This study suggests that FTIR spectroscopy could be used as an alternative method for screening for cervical cancer.
Magnetic nanocellulose alginate hydrogel beads as potential drug delivery system

Supramaniam J, Adnan R, Mohd Kaus NH, Bushra R

Int J Biol Macromol, 2018 Oct 15;118(Pt A):640-648.
PMID: 29894784 DOI: 10.1016/j.ijbiomac.2018.06.043

Magnetic nanocellulose alginate hydrogel beads are produced from the assembly of alginate and magnetic nanocellulose (m-CNCs) as a potential drug delivery system. The m-CNCs were synthesized from cellulose nanocrystals (CNCs) that were isolated from rice husks (RH) by co-precipitation method and were incorporated into alginate-based hydrogel beads with the aim of enhancing mechanical strength and regulating drug release behavior. Ibuprofen was chosen as a model drug. The prepared CNCs, m-CNCs and the alginate hydrogel beads were characterized by various physicochemical techniques such as Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscope (SEM) and vibrating sample magnetometer studies (VSM). Besides the magnetic property, the presence of m-CNCs increased the integrity of the alginate hydrogel beads and the swelling percentage. The drug release study exhibited a controlled release profiles and based on the drug release data, the drug release mechanism was analyzed and discussed based on mathematical models such as Korsmeyer-Peppas and Peppas-Sahlin.
Fulltext Comparison of the Surface Properties of Hydrothermally Synthesised Fe3O4@C Nanocomposites at Variable Reaction Times

Sani S, Adnan R, Oh WD, Iqbal A

Nanomaterials (Basel), 2021 Oct 16;11(10).
PMID: 34685183 DOI: 10.3390/nano11102742

The influence of variable reaction time (tr) on surface/textural properties (surface area, total pore volume, and pore diameter) of carbon-encapsulated magnetite (Fe3O4@C) nanocomposites fabricated by a hydrothermal process at 190 °C for 3, 4, and 5 h was studied. The properties were calculated using the Brunauer-Emmett-Teller (BET) isotherms data. The nanocomposites were characterised using Fourier transform infrared spectroscopy, X-ray diffraction analysis, thermogravimetry, and scanning and transmission electron microscopies. Analysis of variance shows tr has the largest effect on pore volume (F value = 1117.6, p value < 0.0001), followed by the surface area (F value = 54.8, p value < 0.0001) and pore diameter (F value = 10.4, p value < 0.001) with R2-adjusted values of 99.5%, 88.5% and 63.1%, respectively. Tukey and Fisher tests confirmed tr rise to have caused increased variations in mean particle sizes (11-91 nm), crystallite sizes (5-21 nm), pore diameters (9-16 nm), pore volume (0.017-0.089 cm3 g-1) and surface area (7.6-22.4 m2 g-1) of the nanocomposites with individual and simultaneous confidence limits of 97.9 and 84.4 (p-adj < 0.05). The nanocomposites' retained Fe-O vibrations at octahedral (436 cm-1) and tetrahedral (570 cm-1) cubic ferrite sites, modest thermal stability (37-60 % weight loss), and large volume-specific surface area with potential for catalytic application in advanced oxidation processes.
Optimization of decolorization of palm oil mill effluent (POME) by growing cultures of Aspergillus fumigatus using response surface methodology

Neoh CH, Yahya A, Adnan R, Abdul Majid Z, Ibrahim Z

Environ Sci Pollut Res Int, 2013 May;20(5):2912-23.
PMID: 23054764 DOI: 10.1007/s11356-012-1193-5

The conventional treatment process of palm oil mill effluent (POME) produces a highly colored effluent. Colored compounds in POME cause reduction in photosynthetic activities, produce carcinogenic by-products in drinking water, chelate with metal ions, and are toxic to aquatic biota. Thus, failure of conventional treatment methods to decolorize POME has become an important problem to be addressed as color has emerged as a critical water quality parameter for many countries such as Malaysia. Aspergillus fumigatus isolated from POME sludge was successfully grown in POME supplemented with glucose. Statistical optimization studies were conducted to evaluate the effects of the types and concentrations of carbon and nitrogen sources, pH, temperature, and size of the inoculum. Characterization of the fungus was performed using scanning electron microscopy, Fourier transform infrared (FTIR) spectroscopy, and Brunauer, Emmet, and Teller surface area analysis. Optimum conditions using response surface methods at pH 5.7, 35 °C, and 0.57 % w/v glucose with 2.5 % v/v inoculum size resulted in a successful removal of 71 % of the color (initial ADMI of 3,260); chemical oxygen demand, 71 %; ammoniacal nitrogen, 35 %; total polyphenolic compounds, 50 %; and lignin, 54 % after 5 days of treatment. The decolorization process was contributed mainly by biosorption involving pseudo-first-order kinetics. FTIR analysis revealed that the presence of hydroxyl, C-H alkane, amide carbonyl, nitro, and amine groups could combine intensively with the colored compounds in POME. This is the first reported work on the application of A. fumigatus for the decolorization of POME. The present investigation suggested that growing cultures of A. fumigatus has potential applications for the decolorization of POME through the biosorption and biodegradation processes.
Alternative solid carbon source from dried attached-growth biomass for nitrogen removal enhancement in intermittently aerated moving bed sequencing batch reactor

Lim JW, Lim PE, Seng CE, Adnan R

Environ Sci Pollut Res Int, 2014 Jan;21(1):485-94.
PMID: 23807562 DOI: 10.1007/s11356-013-1933-1

The feasibility of using dried attached-growth biomass from the polyurethane (PU) foam cubes as a solid carbon source to enhance the denitrification process in the intermittently aerated moving bed sequencing batch reactor (IA-MBSBR) during the treatment of low COD/N containing wastewater was investigated. By packing the IA-MBSBR with 8% (v/v) of 8-mL PU foam cubes saturated with dried attached-growth biomass, total nitrogen removal efficiency of 80% could be achieved for 10 consecutive cycles of operation when the intermittent aeration strategy of consecutive 1 h of aeration followed by 2 h of non-aeration period during the REACT period of the IA-MBSBR was adopted. Negligible release of ammonium nitrogen (NH4(+)-N) and slow-release of COD from the dried biomass would ensure that the use of this solid carbon source would not further burden the treatment system. The slow-releasing COD was found to have no effect in promoting the assimilation process and would also allow the carbon source to be used for many cycles of operation. The 'carbon-spent' PU foam cubes could be reused by merely drying at 60 °C at the end of the operational mode. Thus, the dried attached-growth biomass formed on the PU foam cubes could be exploited as an alternative solid carbon source for the enhancement of denitrification process in the IA-MBSBR.
Preparation and characterisation of ethambutol with β-cyclodextrin: a comprehensive molecular insight into host-guest interaction

Goh SQ, Chan QH, Adnan R, Rahim NY

Turk J Chem, 2022;46(6):1946-1955.
PMID: 37621338 DOI: 10.55730/1300-0527.3493

The increase in new cases of drug resistance to first-line drugs such as ethambutol (ETB) makes it necessary to develop improvements for antituberculosis drugs. A new method for improving the bioavailability of active pharmaceutical ingredient (API) was investigated for preventing drug resistance and side-effects of antituberculosis drugs. In this study, an antituberculosis drug delivery system using β-cyclodextrin (β-CD) as the supramolecular carrier of ETB was prepared using the kneading method. The inclusion behaviour of β-CD/ETB inclusion complex in solid and liquid state was investigated. The inclusion complex was characterized using Fourier transform infrared spectroscopy, thermogravimetric analysis, nuclear magnetic resonance (NMR) spectroscopy, and UV-visible spectroscopy. The 1H and nuclear Overhauser effect spectroscopy NMR results indicated the hydrophobic interaction between β-CD and ETB. Meanwhile, the Benesi-Hildebrand equation was used to calculate the formation constant (K) of β-CD/ETB complex in natural condition, pH4, and pH9, which were 105.43, 107.06, and 119.11, respectively. The stoichiometry ratio of β-CD/ETB complex was proven to be 1:1.
Gold, Silver, and Palladium Nanoparticles: A Chemical Tool for Biomedical Applications

Yaqoob SB, Adnan R, Rameez Khan RM, Rashid M

Front Chem, 2020;8:376.
PMID: 32582621 DOI: 10.3389/fchem.2020.00376

Herein, the role of metal-based nanoparticles (NPs) in biomedical analysis and the treatment of critical deceases been highlighted. In the world of nanotechnology, noble elements such as the gold/silver/palladium (Au/Ag/Pd) NPs are the most promising emerging trend to design bioengineering materials that could to be employed as modern diagnostic tools and devices to combat serious diseases. NPs are considered a powerful and advanced chemical tool to diagnose and to cure critical ailments such as HIV, cancer, and other types of infectious illnesses. The treatment of cancer is the most significant application of nanotechnology which is based on premature tumor detection and analysis of cancer cells through Nano-devices. The fascinating characteristic properties of NPs-such as high surface area, high surface Plasmon resonance, multi-functionalization, highly stable nature, and easy processing-make them more prolific for nanotechnology. In this review article, the multifunctional roles of Au/Ag/Pd NPs in the field of medical science, the physicochemical toxicity dependent properties, and the interaction mechanism is highlighted. Due to the cytotoxicity of Ag/Au/Pd NPs, the conclusion and future remarks emphasize the need for further research to minimize the toxicity of NPs in the bio-medicinal field.
Fulltext Computational investigations of the binding mechanism of novel benzophenone imine inhibitors for the treatment of breast cancer

Shtaiwi A, Adnan R, Khairuddean M, Khan SU

RSC Adv, 2019 Oct 31;9(61):35401-35416.
PMID: 35541022 DOI: 10.1039/c9ra04759j

4-Hydroxytamoxifen (4-OHT), the most common hormone used for the treatment of breast cancer, is a selective estrogen receptor modulator (SERM) inhibitor that acts as an antagonist in breast tissue and a partial agonist in the endometrium. However, the detailed molecular mechanism of 4-OHT structure modification has not been well investigated to date. Herein, molecular docking, molecular dynamics simulations and free energy calculations were performed to explore the mechanisms of the molecular interactions between newly designed benzophenone imines (BIs) and the three forms apo, antagonist and agonist of the human estrogen receptor hERα. The proposed inhibitors were designed by replacing the triarylethylene estrogenic scaffold found in 4-OHT with Schiff base triarylimine derivatives. The antiestrogen scaffold i.e. the O-alkyl side chain in 4-OHT was developed by incorporating an alanine amino acid side chain functionality into the triarylimine scaffold. Docking results reveal that the newly designed BIs bind to the hydrophobic open pocket of the apo and antagonist hERα conformations with higher affinity as compared to the natural and synthetic estrogen estradiol (E2) and 4-OHT. The analysis of the molecular dynamics simulation results based on six different systems of the best docked BI (5c) with hERα receptors demonstrates stable interactions, and the complex undergoes fewer conformational fluctuations in the open apo/antagonist hERα receptors as compared to the case of the closed agonist. In addition, the calculated binding free energies indicate that the main factor that contributes to the stabilization of the receptor-inhibitor complexes is hydrophobic interactions. This study suggests that the development of these Schiff base derivatives may be worth exploring for the preparation of new 4-OHT analogues.
Enhancement of azo dye Acid Orange 7 removal in newly developed horizontal subsurface-flow constructed wetland

Tee HC, Lim PE, Seng CE, Mohd Nawi MA, Adnan R

J Environ Manage, 2015 Jan 1;147:349-55.
PMID: 25284799 DOI: 10.1016/j.jenvman.2014.09.025

Horizontal subsurface-flow (HSF) constructed wetland incorporating baffles was developed to facilitate upflow and downflow conditions so that the treatment of pollutants could be achieved under multiple aerobic, anoxic and anaerobic conditions sequentially in the same wetland bed. The performances of the baffled and conventional HSF constructed wetlands, planted and unplanted, in the removal of azo dye Acid Orange 7 (AO7) were compared at the hydraulic retention times (HRT) of 5, 3 and 2 days when treating domestic wastewater spiked with AO7 concentration of 300 mg/L. The planted baffled unit was found to achieve 100%, 83% and 69% AO7 removal against 73%, 46% and 30% for the conventional unit at HRT of 5, 3 and 2 days, respectively. Longer flow path provided by baffled wetland units allowed more contact of the wastewater with the rhizomes, microbes and micro-aerobic zones resulting in relatively higher oxidation reduction potential (ORP) and enhanced performance as kinetic studies revealed faster AO7 biodegradation rate under aerobic condition. In addition, complete mineralization of AO7 was achieved in planted baffled wetland unit due to the availability of a combination of aerobic, anoxic and anaerobic conditions.

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