Displaying publications 1 - 20 of 85 in total

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  1. Kaewboonchoo O, Isahak M, Susilowati I, Phuong TN, Morioka I, Harncharoen K, et al.
    Asia Pac J Public Health, 2016 Jul;28(5):438-49.
    PMID: 27273897 DOI: 10.1177/1010539516651957
    Work ability is related to many factors that might influence one's capacity to work. This study aimed to examine the work ability and its related factors among small and medium enterprises (SME) workers in 4 Association of Southeast Asian Nations (ASEAN) countries. The participants in this study included 2098 workers from food and textile industries in Indonesia, Malaysia, Thailand, and Vietnam. A cross-sectional survey of anonymous self-administrated questionnaire was designed to collect information on sociodemographic factors, work environment and ergonomic condition, musculoskeletal disorders, and work ability. Bivariate correlation coefficient and multiple linear regression analyses were used to predict the work ability. Results of this study confirm that work ability in 4 ASEAN countries was similar to that in European countries, and that the sociodemographic factors, work environment and ergonomic condition, and musculoskeletal disorder (MSD) were associated with work ability. These factors are important for considering occupational health and safety policy to promote work ability in food, textile, and other SME workers.
    Matched MeSH terms: Textiles
  2. Ashyap AYI, Elamin NIM, Dahlan SH, Abidin ZZ, See CH, Majid HA, et al.
    PLoS One, 2021;16(1):e0246057.
    PMID: 33508025 DOI: 10.1371/journal.pone.0246057
    A compact fabric antenna structure integrated with electromagnetic bandgap structures (EBGs) covering the desired frequency spectrum between 2.36 GHz and 2.40 GHz for Medical Body-Area Networks (MBANs), is introduced. The needs of flexible system applications, the antenna is preferably low-profile, compact, directive, and robust to the human body's loading effect have to be satisfied. The EBGs are attractive solutions for such requirements and provide efficient performance. In contrast to earlier documented EBG backed antenna designs, the proposed EBG behaved as shielding from the antenna to the human body, reduced the size, and acted as a radiator. The EBGs reduce the frequency detuning due to the human body and decrease the back radiation, improving the antenna efficiency. The proposed antenna system has an overall dimension of 46×46×2.4 mm3. The computed and experimental results achieved a gain of 7.2 dBi, a Front to Back Ratio (FBR) of 12.2 dB, and an efficiency of 74.8%, respectively. The Specific Absorption Rate (SAR) demonstrates a reduction of more than 95% compared to the antenna without EBGs. Moreover, the antenna performance robustness to human body loading and bending is also studied experimentally. Hence, the integrated antenna-EBG is a suitable candidate for many wearable applications, including healthcare devices and related applications.
    Matched MeSH terms: Textiles
  3. Lim SL, Chu WL, Phang SM
    Bioresour Technol, 2010 Oct;101(19):7314-22.
    PMID: 20547057 DOI: 10.1016/j.biortech.2010.04.092
    The potential application of Chlorella vulgaris UMACC 001 for bioremediation of textile wastewater (TW) was investigated using four batches of cultures in high rate algae ponds (HRAP) containing textile dye (Supranol Red 3BW) or TW. The biomass attained ranged from 0.17 to 2.26 mg chlorophyll a/L while colour removal ranged from 41.8% to 50.0%. There was also reduction of NH(4)-N (44.4-45.1%), PO(4)-P (33.1-33.3%) and COD (38.3-62.3%) in the TW. Supplementation of the TW with nutrients of Bold's Basal Medium (BBM) increased biomass production but did not improve colour removal or reduction of pollutants. The mechanism of colour removal by C. vulgaris is biosorption, in accordance with both the Langmuir and Freundlich models. The HRAP using C. vulgaris offers a good system for the polishing of TW before final discharge.
    Matched MeSH terms: Textiles*
  4. Wang M, Yang J, Zheng S, Jia L, Yong ZY, Yong EL, et al.
    Environ Sci Technol, 2023 Dec 19;57(50):21038-21049.
    PMID: 38064758 DOI: 10.1021/acs.est.3c06210
    Microplastic fibers from textiles have been known to significantly contribute to marine microplastic pollution. However, little is known about the microfiber formation and discharge during textile production. In this study, we have quantified microfiber emissions from one large and representative textile factory during different stages, spanning seven different materials, including cotton, polyester, and blended fabrics, to further guide control strategies. Wet-processing steps released up to 25 times more microfibers than home laundering, with dyeing contributing to 95.0% of the total emissions. Microfiber release could be reduced by using white coloring, a lower dyeing temperature, and a shorter dyeing duration. Thinner, denser yarns increased microfiber pollution, whereas using tightly twisted fibers mitigated release. Globally, wet textile processing potentially produced 6.4 kt of microfibers in 2020, with China, India, and the US as significant contributors. The study underlined the environmental impact of textile production and the need for mitigation strategies, particularly in dyeing processes and fiber choice. In addition, no significant difference was observed between the virgin polyesters and the used ones. Replacing virgin fibers with recycled fibers in polyester fabrics, due to their increasing consumption, might offer another potential solution. The findings highlighted the substantial impact of textile production on microfiber released into the environment, and optimization of material selection, knitting technologies, production processing, and recycled materials could be effective mitigation strategies.
    Matched MeSH terms: Textiles
  5. Shi Y, Jiang J, Ye H, Sheng Y, Zhou Y, Foong SY, et al.
    Environ Res, 2023 Feb 01;218:114967.
    PMID: 36455630 DOI: 10.1016/j.envres.2022.114967
    We analyzed the problematic textile fiber waste as potential precursor material to produce multilayer cotton fiber biocomposite. The properties of the products were better than the current dry bearing type particleboards and ordinary dry medium-density fiberboard in terms of the static bending strength (67.86 MPa), internal bonding strength (1.52 MPa) and water expansion rate (9.57%). The three-layer, four-layer and five-layer waste cotton fiber composite (WCFC) were tried in the experiment, the mechanical properties of the three-layer WCFC are insufficient, the five-layer WCFC is too thick and the four-layer WCFC had the best comprehensive performance. The cross-section morphology of the four-layer WCFC shows a dense structure with a high number of adhesives attached to the fiber. The hardness and stiffness of the four-layer cotton fiber composite enhanced by the high crystallinity of cellulose content, and several chemical bondings were presence in the composites. Minimum mass loss (30%) and thermal weight loss rate (0.70%/°C) was found for the four-layer WCFC. Overall, our findings suggested that the use of waste cotton fiber (WCF) to prepare biocomposite with desirable physical and chemical properties is feasible, and which can potentially be used as building material, furniture and automotive applications.
    Matched MeSH terms: Textiles*
  6. Umi Nadrah Amran, Nur Nadiah Mohd Rais
    MyJurnal
    In medical imaging practice, the act of removing any clothes from the region of interest is justified as to prevent the presence of artefacts on radiographs. However, by doing so, the ‘aurah’ of the patients, especially for the Muslims, are not observed and can be considered as violating their privacy if they are not well-informed beforehand. Previous studies have proved that radiographs with the presence of some fabric materials on the region of interest are radiographically acceptable. Therefore, the aims of this study are to tackle the issue of exposing one’s ‘aurah’ for a knee x-ray examination to take place and also to add insufficiency from the previous studies.
    Matched MeSH terms: Textiles
  7. Nurhanisah MH, Jawaid M, Ahmad Azmeer R, Paridah MT
    Disabil Rehabil Assist Technol, 2019 07;14(5):513-520.
    PMID: 29933703 DOI: 10.1080/17483107.2018.1479782
    This study describes a newly developed prosthetic leg socket design for a below-knee amputation. Excessive heat and the resulted perspiration within a prosthetic socket were the most common causes for reporting a reduced quality of life for prosthetic users. The product namely AirCirc means air circulation and it has been designed by approach of medical device design process in providing the amputees to maintain the skin temperature inside the socket. This device has been designed to provide the amputees with comfort and ultimate breathable. In order to design the device, the small hole was made in prosthetic socket surface since it has a function as air circulation. Four types of proposed sockets namely P1, P2, P3 and P4 and one control socket were compared on a single patient to determine the best design of prosthetic socket. The result successfully reveals that by using holes can be maintain the temperature inside prosthetic socket. In addition to the eco-friendly material, the woven kenaf was used as material that provides good strength as compared to glass fibre and offer sustainable and biodegradable product yet provides unique and aesthetic surface as came from woven kenaf itself. The objective of this paper is to provide the airflow prosthetic socket design and optimize the use of natural fibre in prostheses field. Thus, with the use of the environmental friendly material, functionality device and heat removal capability make the device suitable for maintaining a comfortable and healthy environment for prosthesis. Implications of Rehabilitation Newly developed prosthetic leg socket design for a below-knee amputation Device has been designed to provide the amputees with comfort and ultimate breathable Woven kenaf was used as material that provides good strength as compared to glass fibre for sustainable and biodegradable product Results show that by using holes can be maintain the temperature inside prosthetic socket.
    Matched MeSH terms: Textiles
  8. Shafqat SR, Bhawani SA, Bakhtiar S, Ibrahim MNM
    BMC Chem, 2020 Dec;14(1):27.
    PMID: 32266334 DOI: 10.1186/s13065-020-00680-8
    Congo red (CR) is an anionic azo dye widely used in many industries including pharmaceutical, textile, food and paint industries. The disposal of huge amount of CR into the various streams of water has posed a great threat to both human and aquatic life. Therefore, it has become an important aspect of industries to remove CR from different water sources. Molecular imprinting technology is a very slective method to remove various target pollutant from environment. In this study a precipitation polymerization was employed for the effective and selective removal of CR from contaminated aqueous media. A series of congo red molecularly imprinted polymers (CR-MIPs) of uniform size and shape was developed by changing the mole ratio of the components. The optimum ratio (0.1:4: 20, template, functional monomer and cross-linking monomer respectively) for CR1-MIP from synthesized polymers was able to rebind about 99.63% of CR at the optimum conditions of adsorption parameters (contact time 210 min, polymer dosage 0.5 g, concentration 20 ppm and pH 7). The synthesized polymers were characterized by various techniques such as Fourier Infra-red spectroscopy (FTIR), scanning electron microscopy (SEM), Thermogravimetric analysis (TGA), energy-dispersive X-ray spectroscopy (EDX), and Brumauer-Emmett-Teller (BET). The polymer particles have successfully removed CR from different aqueous media with an efficiency of about ~ 90%.
    Matched MeSH terms: Textiles
  9. Darain KMU, Jumaat MZ, Shukri AA, Obaydullah M, Huda MN, Hosen MA, et al.
    Polymers (Basel), 2016 Jul 19;8(7).
    PMID: 30974542 DOI: 10.3390/polym8070261
    This study investigates the flexural behaviour of reinforced concrete (RC) beams strengthened through the combined externally bonded and near-surface mounted (CEBNSM) technique. The externally bonded reinforcement (EBR) and near-surface mounted (NSM) techniques are popular strengthening solutions, although these methods often demonstrate premature debonding failure. The proposed CEBNSM technique increases the bond area of the concrete⁻carbon fibre reinforced polymer (CFRP) interface, which can delay the debonding failure. This technique is appropriate when any structure has a narrow cross-sectional width or is in need of additional flexural capacity that an individual technique or material cannot attain. An experimental test matrix was designed with one control and five strengthened RC beams to verify the performance of the proposed technique. The strengthening materials were CFRP bar as NSM reinforcement combined with CFRP fabric as EBR material. The test variables were the diameter of the NSM bars (8 and 10 mm), the thickness of the CFRP fabrics (one and two layers) and the U-wrap anchorage. The strengthened beams showed enhancement of ultimate load capacity, stiffness, cracking behaviour, and strain compatibility. The ultimate capacity of the CEBNSM-strengthened beams increased from 71% to 105% compared to that of the control beam. A simulation method based on the moment-rotation approach was also presented to predict the behaviour of CEBNSM-strengthened RC beams.
    Matched MeSH terms: Textiles
  10. Shanggar, K., Ng, C.H., Razack, A.H., Dublin, N.
    JUMMEC, 2010;13(1):59-62.
    MyJurnal
    Malignant tumours of the scrotum are very rare. Several type of occupations have been identified as high risk for the development of SCC of scrotum e.g paraffin and shale oil workers (1), textile workers (2) etc. We report a rare case of SCC of scrotum. Search of our records in the Urology and Pathology departments of our Centre showed that this is the only case of SCC of the scrotum in the last 10 years.
    Matched MeSH terms: Textiles
  11. Hameed BH
    J Hazard Mater, 2009 Jan 30;161(2-3):753-9.
    PMID: 18499346 DOI: 10.1016/j.jhazmat.2008.04.019
    In the present study, spent tea leaves (STL) were used as a new non-conventional and low-cost adsorbent for the cationic dye (methylene blue) adsorption in a batch process at 30 degrees C. Equilibrium sorption isotherms and kinetics were investigated. The experimental data were analyzed by the Langmuir, Freundlich and Temkin models of adsorption. The adsorption isotherm data were fitted well to the Langmuir isotherm and the monolayer adsorption capacity was found to be 300.052mg/g at 30 degrees C. The kinetic data obtained at different initial concentrations were analyzed using pseudo-first-order, pseudo-second-order and intraparticle diffusion equations. The results revealed that the spent tea leaves, being waste, have the potential to be used as a low-cost adsorbent for the removal of methylene blue from aqueous solutions.
    Matched MeSH terms: Textiles
  12. Nor Habibah Mohd Rosli, Wan Azlina Ahmad
    Science Letters, 2018;12(1):30-43.
    MyJurnal
    Wastewater from industrial plants such as textile, electroplating and petroleum refineries contains various substances that tend to increase the chemical oxygen demand (COD) of the wastewater. Therefore, it is desired to develop a process suitable for treating the wastewater to meet the regulatory limits. This work was conducted to investigate the potential of adapted single culture of A. baumannii, A.calcoaceticus and C.cellulans in reducing COD in real textile wastewater. The study was carried out by adapting each single culture (10% inoculums) to increasing concentration (1%, 2.5 %, 5%, 7.5 % and 10%) of textile wastewater. Then it was introduced to the textile effluent without pH adjustment for five days and the COD values were measured. The textile wastewater was supplemented with pineapple waste for bacterial growth and metabolism. Results obtained showed that pineapple waste was a good nutrient supply for the growth of the bacteria and the best concentration of textile wastewater for adaptation was at 2.5%. The results also showed that A.calcoaceticus shows highest COD reduction with 67% removal whereas A. baumannii and C.cellulans with 60% and 58% removal respectively. The outcome supported that the single culture used in this study showed considerably high reduction of COD from real textile wastewater.
    Matched MeSH terms: Textiles
  13. Logroño W, Pérez M, Urquizo G, Kadier A, Echeverría M, Recalde C, et al.
    Chemosphere, 2017 Mar 01;176:378-388.
    PMID: 28278426 DOI: 10.1016/j.chemosphere.2017.02.099
    An air exposed single-chamber microbial fuel cell (SCMFC) using microalgal biocathodes was designed. The reactors were tested for the simultaneous biodegradation of real dye textile wastewater (RTW) and the generation of bioelectricity. The results of digital image processing revealed a maximum coverage area on the biocathodes by microalgal cells of 42%. The atmospheric and diffused CO2 could enable good algal growth and its immobilized operation on the cathode electrode. The biocathode-SCMFCs outperformed an open circuit voltage (OCV), which was 18%-43% higher than the control. Furthermore, the maximum volumetric power density achieved was 123.2 ± 27.5 mW m(-3). The system was suitable for the treatment of RTW and the removal/decrease of COD, colour and heavy metals. High removal efficiencies were observed in the SCMFCs for Zn (98%) and COD (92-98%), but the removal efficiencies were considerably lower for Cr (54-80%). We observed that this single chamber MFC simplifies a double chamber system. The bioelectrochemical performance was relatively low, but the treatment capacity of the system seems encouraging in contrast to previous studies. A proof-of-concept experiment demonstrated that the microalgal biocathode could operate in air exposed conditions, seems to be a promising alternative to a Pt cathode and is an efficient and cost-effective approach to improve the performance of single chamber MFCs.
    Matched MeSH terms: Textiles
  14. Harruddin N, Othman N, Ee Sin AL, Raja Sulaiman RN
    Environ Technol, 2015 Jan-Feb;36(1-4):271-80.
    PMID: 25514128 DOI: 10.1080/09593330.2014.943301
    Effluent containing colour/dyes, especially reactive dyes, becomes a great concern of wastewater treatment because it is toxic to human life and aquatic life. In this study, reactive dye of Black B was separated using the supported liquid membrane process. Commercial polypropylene membrane was used as a support of the kerosene-tridodecylamine liquid membrane. Several parameters were tested and the result showed that almost 100% of 70 ppm Black B was removed and 99% of 70 ppm Black B was recovered at pH 2 of the feed phase containing 0.00001 M Na2SiO3, flow rate of 150 ml/min and 0.2 M NaOH. The membrane support also remained stable for up to 36 hours under an optimum condition.
    Matched MeSH terms: Textiles/analysis*
  15. Mamat, M., Abdullah, M.A.A., Jaafar, A.M., Soh, S.K.C., Lee, C.E.
    ASM Science Journal, 2018;11(101):105-113.
    MyJurnal
    As textile production flourishes nowadays, the amount of dyed wastewater entering the
    water body has also increased. Dyes could have serious negative impacts to the environment
    and also the human health, hence, they need to be removed from the water body. In this
    study, layered double hydroxide (LDH) of manganese/aluminium (MnAl) was synthesised
    to be used as a potential adsorbent to remove methyl orange (MO) dye due to its unique
    lamellar structure which provides LDH with high anion adsorption and exchange ability.
    MnAl was synthesized by using co-precipitation method and characterized by powder X-ray
    diffraction (PXRD), Fourier-Transform Infrared Spectroscopy (FTIR), Inductively coupled
    plasma atomic emission spectroscopy (ICP-AES) and Carbon, Hydrogen, Nitrogen, Sulphur
    (CHNS) elemental analysers, and Accelerated Surface Area and Porosity Analyzer (ASAP).
    Adsorption studies were conducted at different contact times and dosages of MnAl to evaluate
    the performance of MnAl in removing MO from water. Kinetic and isotherm models were
    tested using pseudo-first order, pseudo-second order, Langmuir isotherm and Freundlich
    isotherm. MnAl LDH was found to be perfectly fitted into pseudo-second order and Langmuir
    isotherm.
    Matched MeSH terms: Textiles
  16. Ahmad AA, Hameed BH
    J Hazard Mater, 2009 Dec 30;172(2-3):1538-43.
    PMID: 19740605 DOI: 10.1016/j.jhazmat.2009.08.025
    In this work, activated carbon was prepared from bamboo waste by chemical activation method using phosphoric acid as activating agent. The activated carbon was evaluated for chemical oxygen demand (COD) and color reduction of a real textile mill effluent. A maximum reduction in color and COD of 91.84% and 75.21%, respectively was achieved. As a result, the standard B discharge limit of color and COD under the Malaysian Environmental Quality act 1974 was met. The Freundlich isotherm model was found best to describe the obtained equilibrium adsorption data at 30 degrees C. The Brunauer-Emmett-Teller (BET) surface area, total pore volume and the average pore diameter were 988.23 m(2)/g, 0.69 cm(3)/g and 2.82 nm, respectively. Various functional groups on the prepared bamboo activated carbon (BAC) were determined from the FTIR results.
    Matched MeSH terms: Textiles*
  17. Mohamed SH, Hossain MS, Mohamad Kassim MH, Ahmad MI, Omar FM, Balakrishnan V, et al.
    Polymers (Basel), 2021 Feb 19;13(4).
    PMID: 33669623 DOI: 10.3390/polym13040626
    There is an interest in the sustainable utilization of waste cotton cloths because of their enormous volume of generation and high cellulose content. Waste cotton cloths generated are disposed of in a landfill, which causes environmental pollution and leads to the waste of useful resources. In the present study, cellulose nanocrystals (CNCs) were isolated from waste cotton cloths collected from a landfill. The waste cotton cloths collected from the landfill were sterilized and cleaned using supercritical CO2 (scCO2) technology. The cellulose was extracted from scCO2-treated waste cotton cloths using alkaline pulping and bleaching processes. Subsequently, the CNCs were isolated using the H2SO4 hydrolysis of cellulose. The isolated CNCs were analyzed to determine the morphological, chemical, thermal, and physical properties with various analytical methods, including attenuated total reflection-Fourier transform-infrared spectroscopy (ATR-FTIR), field-emission scanning electron microscopy (FE-SEM), energy-filtered transmission electron microscopy (EF-TEM), X-ray diffraction (XRD), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). The results showed that the isolated CNCs had a needle-like structure with a length and diameter of 10-30 and 2-6 nm, respectively, and an aspect ratio of 5-15, respectively. Additionally, the isolated CNCs had a high crystallinity index with a good thermal stability. The findings of the present study revealed the potential of recycling waste cotton cloths to produce a value-added product.
    Matched MeSH terms: Textiles
  18. Yadav S, Kataria N, Khyalia P, Rose PK, Mukherjee S, Sabherwal H, et al.
    Chemosphere, 2023 Jun;326:138495.
    PMID: 36963588 DOI: 10.1016/j.chemosphere.2023.138495
    Despite of our growing understanding of microplastic's implications, research on the effects of fibrous microplastic (FMPs) on the environment is still in its infancy. Some scientists have hypothesized the possibility of natural textile fibres, which may act as one of the emerging environmental pollutants prevalent among microplastic pollutants in the environment. Therefore, this review aims to critically evaluate the toxic effects of emerging FMPs, the presence, and sources of FMPs in the environment, identification and analytical techniques, and the potential impact or toxicity of the FMPs on the environment and human health. About175 publications (2011-2023) based on FMPs were identified and critically reviewed for transportation, analysis and ecotoxicological behaviours of FMPs in the environment. Textile industries, wastewater treatment plants, and household washing of clothes are significant sources of FMPs. In addition, various characterization techniques (e.g., FTIR, SEM, RAMAN, TGA, microscope, and X-Ray Fluorescence Spectroscopy) commonly used for the identification and analysis of FMPs are also discussed, which justifies the novelty aspects of this review. FMPs are pollutants of emerging concern due to their prevalence and persistence in the environment. FMPs are also found in the food chain, which is an alarming situation for living organisms, including effects on the nervous system, digestive system, circulatory system, and genetic alteration. This review will provide readers with a comparison of different analytical techniques, which will be helpful for researchers to select the appropriate analytical techniques for their study and enhance their knowledge about the harmful effects of FMPs.
    Matched MeSH terms: Textiles
  19. Nur Fitrah Che Nan, Norhazlin Zainuddin, Mansor Ahmad
    MyJurnal
    Carboxymethylcellulose (CMC) is a water-soluble polymer, which is widely used in various
    fields such as food additives, textiles, pharmaceuticals and cosmetics. In this study, hydrogel
    was prepared from CMC by using calcium chloride as a crosslinking agent. Optimization
    of the reaction was done through investigation of four different parameters which had
    different percentage of CMC (w/v), percentage of calcium chloride (w/v), reaction time and
    temperature. The gel content and swelling properties of the CMC hydrogel were studied.
    The highest gel content was 85.33% at 7% of CMC (w/v) with 2% of calcium chloride (w/v)
    in 24 hours reaction time at room temperature. The gel content increased with the increasing
    concentration of CMC and CaCl2. This was due to the higher number of functional groups
    of COO- that were available in more concentrated CMC which could crosslink with CaCl2
    to give higher gel content. Increasing the percentage of CaCl2 will increase the electrostatic
    attraction between anionic charges of polymer chains and multivalent cation (Ca2+) that
    leads to increase in ionic crosslinking of CMC. The swelling properties of CMC hydrogel
    showed that the optimum degree of swelling was 45.33 (g/g). The swelling capacity of the
    hydrogel in water decreased with the increase of the gel content of CMC hydrogel. This
    could be due to the increase in the degree of crosslinking of the CMC hydrogel.
    Matched MeSH terms: Textiles
  20. Asghar A, Bello MM, Raman AAA, Daud WMAW, Ramalingam A, Zain SBM
    Heliyon, 2019 Sep;5(9):e02396.
    PMID: 31517121 DOI: 10.1016/j.heliyon.2019.e02396
    In this work, quantum chemical analysis was used to predict the degradation potential of a recalcitrant dye, Acid blue 113, by hydrogen peroxide, ozone, hydroxyl radical and sulfate radical. Geometry optimization and frequency calculations were performed at 'Hartree Fock', 'Becke, 3-parameter, Lee-Yang-Parr' and 'Modified Perdew-Wang exchange combined with PW91 correlation' levels of study using 6-31G* and 6-31G** basis sets. The Fourier Transform-Raman spectra of Acid blue 113 were recorded and a complete analysis on vibrational assignment and fundamental modes of model compound was performed. Natural bond orbital analysis revealed that Acid blue 113 has a highly stable structure due to strong intermolecular and intra-molecular interactions. Mulliken charge distribution and molecular electrostatic potential map of the dye also showed a strong influence of functional groups on the neighboring atoms. Subsequently, the reactivity of the dye towards the oxidants was compared based on the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy values. The results showed that Acid blue 113 with a HOMO value -5.227 eV exhibits a nucleophilic characteristic, with a high propensity to be degraded by ozone and hydroxyl radical due to their lower HOMO-LUMO energy gaps of 4.99 and 4.22 eV respectively. On the other hand, sulfate radical and hydrogen peroxide exhibit higher HOMO-LUMO energy gaps of 7.92 eV and 8.10 eV respectively, indicating their lower reactivity towards Acid blue 113. We conclude that oxidation processes based on hydroxyl radical and ozone would offer a more viable option for the degradation of Acid blue 113. This study shows that quantum chemical analysis can assist in selecting appropriate advanced oxidation processes for the treatment of textile effluent.
    Matched MeSH terms: Textiles
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