Microbial-assisted removal of natural or synthetic pollutants is the prevailing green, low-cost technology to treat polluted environments. However, the challenge with enzyme-assisted bioremediation is the laborious nature of dehalogenase-producing microorganisms' bioprospecting. This bottleneck could be circumvented by in-silico analysis of certain microorganisms' whole-genome sequences to predict their protein functions and enzyme versatility for improved biotechnological applications. Herein, this study performed structural analysis on a dehalogenase (DehHsAAD6) from the genome of Halomonas smyrnensis AAD6 by molecular docking and molecular dynamic (MD) simulations. Other bioinformatics tools were also employed to identify substrate preference (haloacids and haloacetates) of the DehHsAAD6. The DehHsAAD6 preferentially degraded haloacids and haloacetates (-3.2-4.8 kcal/mol) and which formed three hydrogen bonds with Tyr12, Lys46, and Asp182. MD simulations data revealed the higher stability of DehHsAAD6-haloacid- (RMSD 0.22-0.3 nm) and DehHsAAD6-haloacetates (RMSF 0.05-0.14 nm) complexes, with the DehHsAAD6-L-2CP complex being the most stable. The detail of molecular docking calculations ranked complexes with the lowest binding free energies as: DehHsAAD6-L-2CP complex (-4.8 kcal/mol) = DehHsAAD6-MCA (-4.8 kcal/mol) < DehHsAAD6-TCA (-4.5 kcal/mol) < DehHsAAD6-2,3-DCP (-4.1 kcal/mol) < DehHsAAD6-D-2CP (-3.9 kcal/mol) < DehHsAAD6-2,2-DCP (-3.5 kcal/mol) < DehHsAAD6-3CP (-3.2 kcal/mol). In a nutshell, the study findings offer valuable perceptions into the elucidation of possible reaction mechanisms of dehalogenases for extended substrate specificity and higher catalytic activity.Communicated by Ramaswamy H. Sarma.
Dengue infections pose a critical threat to public health worldwide. Since there are no clinically approved antiviral drugs to treat dengue infections caused by the four dengue virus (DENV) serotypes, there is an urgent need to develop effective antivirals. Peptides are promising antiviral candidates due to their specificity and non-toxic properties. The DENV envelope (E) protein was selected for the design of antiviral peptides due to its importance in receptor binding and viral fusion to the host cell membrane. Twelve novel peptides were designed to mimic regions containing critical amino acid residues of the DENV E protein required for interaction with the host. A total of four peptides were identified to exhibit potent inhibitory effects against at least three or all four DENV serotypes. Peptide 3 demonstrated all three modes of action: cell protection and inhibition of post-infection against all four DENV serotypes, whereas direct virus-inactivating effects were only observed against DENV-2, 3, and 4. Peptide 4 showed good direct virus-inactivating effects against DENV-2 (74.26%) as well as good inhibitions of DENV-1 (80.37%) and DENV-4 (72.22%) during the post-infection stage. Peptide 5 exhibited direct virus-inactivating effects against all four DENV serotypes, albeit at lower inhibition levels against DENV-1 and DENV-3. It also exhibited highly significant inhibition of DENV-4 (89.31%) during post-infection. Truncated peptide 5F which was derived from peptide 5 showed more significant inhibition of DENV-4 (91.58%) during post-infection and good direct virus-inactivating effects against DENV-2 (77.55%) at a lower concentration of 100 μM. Peptide 3 could be considered as the best antiviral candidate for pre- and post-infection treatments of DENV infections in regions with four circulating dengue serotypes. However, if the most predominant dengue serotype for a particular region could be identified, peptides with significantly high antiviral activities against that particular dengue serotype could serve as more suitable antiviral candidates. Thus, peptide 5F serves as a more suitable antiviral candidate for post-infection treatment against DENV-4.
In search of potent urease inhibitor indole analogues (1-22) were synthesized and evaluated for their urease inhibitory potential. All analogues (1-22) showed a variable degree of inhibitory interaction potential having IC50 value ranging between 0.60 ± 0.05 to 30.90 ± 0.90 µM when compared with standard thiourea having IC50 value 21.86 ± 0.90 µM. Among the synthesized analogues, the compounds 1, 2, 3, 5, 6, 8, 12, 14, 18, 20 and 22 having IC50 value 3.10 ± 0.10, 1.20 ± 0.10, 4.60 ± 0.10, 0.60 ± 0.05, 5.30 ± 0.20, 2.50 ± 0.10, 7.50 ± 0.20, 3.90 ± 0.10, 3.90 ± 0.10, 2.30 ± 0.05 and 0.90 ± 0.05 µM respectively were found many fold better than the standard thiourea. All other analogues showed better urease interaction inhibition. Structure activity relationship (SAR) has been established for all analogues containing different substituents on the phenyl ring. To understand the binding interaction of most active analogues with enzyme active site docking study were performed.Communicated by Ramaswamy H. Sarma.
Lung function status can be directly or indirectly affected by exposure to pollutants in the environment. Urinary heavy metals may be an indirect indicator of lung function impairment that leads to various diseases such as chronic obstructive pulmonary disease (COPD). This study aimed to explore the prevalence of lung function impairment as well as its association with urinary heavy metal levels and other influencing factors among the community in Klang Valley, Malaysia. Urinary sampling was done during various community events in the housing areas of Klang Valley between March and October 2019. Only respondents who consented would undergo a lung function test. Urine samples were obtained and sent for Inductively Coupled Plasma Mass Spectrometry (ICP-MS) analysis for heavy metal cadmium (Cd) and lead (Pb) concentration. Of the 200 recruited respondents, 52% were male and their ages ranged from 18 years old to 74 years old with a mean age of 38.4 ± 14.05 years. Urinary samples show high urinary Cd level in 12% of the respondents (n = 24) whereas none recorded a high urinary Pb level. There was a positive correlation between the levels of urinary Cd and urinary Pb (r = 0.303; p = 0.001). Furthermore, a negative correlation was detected between urinary Cd level and forced vital capacity (FVC) (r = - 0.202, p = 0.004), force expiratory volume at the first second (FEV1) (r = - 0.225, p = 0.001), and also force expiratory flow between 25-75% of FVC (FEF 25-75%) (r = - 0.187, p = 0.008). However, urinary Pb did not show any correlation with lung function parameters. Multiple linear regression analysis showed that urinary Cd had a significant negative effect on FVC (p = 0.025) and FEV1 (p = 0.004) based on the predicted value. Additionally, other factors such as education level (p = 0.013) also influenced lung function. However, no interaction was detected between heavy metals or other factors. In short, there was a significant negative linear relationship between urinary Cd and lung function, whereas urinary Pb was not associated with lung function. Beside acting as a biomarker for cadmium exposure level, urinary Cd may also be applied as indirect biomarker for asymptomatic chronic lung function deterioration among the healthy population.
Diabetes mellitus is one of the most concerning conditions, and its chronic consequences are almost always accompanied by infection, oxidative stress, and inflammation. Reducing excessive reactive oxygen species and the wound's inflammatory response is a necessary treatment during the acute inflammatory phase of diabetic wound healing. Malva sylvestris extract (MS) containing nanofibers containing neomycin sulfate (NS) were synthesized for this investigation, and their impact on the healing process of diabetic wounds was assessed. Using Design Expert, the electrospinning process for the fabrication of NS nanofibers (NS-NF) was adjusted for applied voltage (X1), the distance between the needle's tip and the collector (X2), and the feed rate (X3) for attaining desired entrapment efficacy [EE] and average nanofiber diameter (ND). The optimal formulation can be prepared with 19.11 kV of voltage, 20 cm of distance, and a flow rate of 0.502 mL/h utilizing the desirability approach. All the selected parameters and responses have their impact on drug delivery from nanofibers. In addition, M. sylvestris extracts have been added into the optimal formulation [MS-NS-NF] and assessed for their surface morphology, tensile strength, water absorption potential, and in vitro drug release studies. The NS and MS delivery from MS-NS-NF has been extended for more than 60 h. M. sylvestris-loaded nanofibers demonstrated superior antibacterial activity compared to plain NS nanofibers. The scaffolds featured a broad aspect and a highly linked porous fibrous network structure. Histomorphometry study and the in vitro scratch assay demonstrate the formulation's efficacy in treating diabetic wound healing. The cells treated with MS-NS-NF in vivo demonstrated that wound dressings successfully reduced both acute and chronic inflammations. To improve the healing of diabetic wounds, MS-NS-NF may be regarded as an appropriate candidate for wound dressing.
Heavy metal pollution has gained global attention due to its high toxicity and non-biodegradability, even at a low level of exposure. Therefore, the development of a disposable electrode that is sensitive, simple, portable, rapid, and cost-effective as the sensor platform in electrochemical heavy metal detection is vital. Disposable electrodes have been modified with nanomaterials so that excellent electrochemical properties can be obtained. This review highlights the recent progress in the development of numerous types of disposable electrodes modified with nanomaterials for electrochemical heavy metal detection. The disposable electrodes made from carbon-based, glass-based, and paper-based electrodes are reviewed. In particular, the analytical performance, fabrication technique, and integration design of disposable electrodes modified with metal (such as gold, tin and bismuth), carbon (such as carbon nanotube and graphene), and metal oxide (such as iron oxide and zinc oxide) nanomaterials are summarized. In addition, the role of the nanomaterials in improving the electrochemical performance of the modified disposable electrodes is discussed. Finally, the current challenges and future prospect of the disposable electrode modified with nanomaterials are summarized.
In this study, fish scales (Pomadasys kaakan's scales) were used as new biosorbent for removing Ni2+ and Cu2+ ions from wastewater. The effects of electric and magnetic fields on the absorption efficiency were also investigated. The effects of sorbent content, ion concentration, contact time, pH, electric field (EF), and magnetic field (MF) on absorption efficiency were assertained. In addition, the isotherm of absorption was studied in this work. This study revealed that electric field and magnetic field have significant effects on the absorption efficiency of ions from wastewater. An increase in the electric field enhanced the removal percentage of the ions and accelerated the absorption process by up to 40% in comparison with the same condition without an electric field or a magnetic field. By increasing contact time from 10 to 120 min, the removal of Ni2+ ions was increased from 1% to 40% and for Cu2+ ions, the removal increased from 20% to almost 95%, respectively. In addition, increasing pH, ion concentration and scales dose increased removal percentage effectively. The results indicated that using fish scales for Cu2+ ions absorption is ideal due to the very high removal percentage (approximately 95%) without using either an electric or magnetic field.
Recycled paper mill effluent (RPME) contains high levels of organic and solid compounds, causing operational problems for anaerobic biological treatment. In this study, a unique modified anaerobic inclining-baffled reactor (MAI-BR) has been developed to treat RPME at various initial chemical oxygen demand (COD) concentrations (1000-4000 mg/L) and hydraulic retention times (HRTs) (3 and 1 day). The COD removal efficiency was decreased from 96 to 83% when the organic loading rate (OLR) was increased from 0.33 to 4 g/L day. Throughout the study, a maximum methane yield of 0.25 L CH4/g COD was obtained, while the pH fluctuated in the range of 5.8 to 7.8. The reactor performance was influenced by the development and distribution of the microbial communities. Based on the next-generation sequencing (NGS) analysis, the microbial community represented a variety of bacterial phyla with significant homology to Euryarchaeota (43.06%), Planctomycetes (24.68%), Proteobacteria (21.58%), Acidobacteria (4.12%), Chloroflexi (3.14%), Firmicutes (1.12%), Bacteroidetes (1.02%), and others (1.28%). The NGS analysis showed that the microbial community was dominated by Methanosaeta concilii and Candidatus Kuenenia stuttgartiensis. This can be supported by the presence of filamentous and spherical microbes of different sizes. Additionally, methanogenic and anaerobic ammonium oxidation (ANAMMOX) microorganisms coexisted in all compartments, and these contributed to the overall degradation of substances in the RPME. Graphical abstract ᅟ.
The present paper reports management of palm oil mill effluent (POME) mixed with palm-pressed fibre (PPF) POME-PPF mixture using eco-friendly, cost-effective vermicomposting technology. Vermicomposting of POME-PPF was performed to examine the optimal POME-PPF ratio with respect to the criteria of earthworm biomass and to evaluate the decomposition of carbon and nitrogen in different percentages of POME-PPF mixtures. Chemical parameters such as TOC, N, P and K contents were determined to achieve optimal decomposition of POME-PPF. On this basis, the obtained data of 50% POME-PPF mixture demonstrated more significant results throughout the experiment after addition of the earthworms. However, 60 and 70% mixtures found significant only in the last stages of the vermicomposting process. The decomposition rate in terms of -ln (CNt/CNo) showed that the 50% mixture has higher decomposition rate as compared to the 60 and 70% (k50% = 0.0498 day(-1)). The vermicomposting extracts (50, 60 and 70%) of POME-PPF mixtures were also tested to examine the growth of mung bean (Vigna radiata). It was found that among different extract dilutions, 50% POME-PPF vermicompost extract provided longer root and shoot length of mung bean. The present study concluded that the 50% mixture of POME-PPF could be chosen as the optimal mixture for vermicomposting in terms of both decomposition rate and fertilizer value of the final compost. Graphical abstract ᅟ.
Open biomass burning in Peninsula Malaysia, Sumatra, and parts of the Indochinese region is a major source of transboundary haze pollution in the Southeast Asia. To study the influence of haze on rainwater chemistry, a short-term investigation was carried out during the occurrence of a severe haze episode from March to April 2014. Rainwater samples were collected after a prolonged drought and analyzed for heavy metals and major ion concentrations using inductively coupled plasma mass spectroscopy (ICP-MS) and ion chromatography (IC), respectively. The chemical composition and morphology of the solid particulates suspended in rainwater were examined using a scanning electron microscope coupled with energy-dispersive X-ray spectroscopy (SEM-EDS). The dataset was further interpreted using enrichment factors (EF), statistical analysis, and a back trajectory (BT) model to find the possible sources of the particulates and pollutants. The results show a drop in rainwater pH from near neutral (pH 6.54) to acidic (
In this study, palm oil mill sludge was used as a precursor to prepare biochar using conventional pyrolysis. Palm oil mill sludge biochar (POSB) was prepared at different preparation variables, i.e., heating temperature (300-800 °C), heating rate (10-20 °C/min) and holding time (60-120 min). The prepared biochars were tested for sulfur dioxide (SO2) adsorption in a fixed bed reactor using 300 ppm of SO2 gas at 300 ml/min (with N2 gas as balance). Response surface central composite experimental design was used to optimize the production of biochar versus SO2 removal. A quadratic model was developed in order to correlate the effect of variable parameters on the optimum adsorption capacity of SO2 gas. The experimental values and the predicted results of the model were found to show satisfactory agreement. The optimum conditions for biochar preparation to yield the best SO2 removal was found to be at 405 °C of heating temperature, 20 °C/min of heating rate and 88 min of holding time. At these conditions, the average yield of biochar and adsorption capacity for SO2 gas was reported as 54.25 g and 9.75 mg/g, respectively. The structure of biochar and their roles in SO2 adsorption were investigated by surface area, morphology images, infrared spectra, and proximate analysis, respectively. The characterization findings suggested that POSB adsorbs SO2 mainly by the functional groups.
This study was conducted to investigate the potential application of oil palm empty fruit branches (OPEFB) as adsorbents to remove organic methylmercurry, MeHg(II), and inorganic Hg(II) from aqueous solution. The OPEFB was functionalized with amine containing ligand namely 3-ureidopropyltriethoxysilane (UPTES) aiming for better adsorption performance towards both mercury ions. The adsorption was found to be dependent on initial pH, initial concentraton, temperatures, and contact time. The maximum adsorption capacities (Qm.exp) of Hg(II) adsorption onto OPEFB and UPTES-OPEFB were 0.226 and 0.773 mmol/g, respectively. The Qm.exp of MeHg(II) onto OPEFB, however, was higher than UPTES-OPEFB. The adsorption kinetic data obeyed the Elovich model and the adsorption was controlled by the film-diffusion step. The calculated thermodynamic parameters indicate an endothermic adsorption process. Adsorption data analysis indicates that the adsorption mechanism may include ion-exchange, complexation, and physisorption interactions. The potential applications of adsorbents were demonstrated using oilfield produced water and natural gas condensate. The UPTES-OPEFB offered higher selectivity towards both mercury ions than OPEFB. The regenerability studies indicated that the adsorbent could be reused for multiple cycles.
The wide application of microalgae in the field of wastewater treatment and bioenergy source has improved research studies in the past years. Microalgae represent a good source of biomass and bio-products which are used in different medical and industrial activities, among them the production of high-valued products and biofuels. The present review focused on greywater treatment through the application of phycoremediation technique with microalgae and presented recent advances in technologies used for harvesting the microalgae biomass. The advantages and disadvantages of each method are discussed. The microbiological aspects of production, harvesting and utilization of microalgae biomass are viewed.
The purpose of this study is to investigate the performance, emission and combustion characteristics of a four-cylinder common-rail turbocharged diesel engine fuelled with Jatropha curcas biodiesel-diesel blends. A kernel-based extreme learning machine (KELM) model is developed in this study using MATLAB software in order to predict the performance, combustion and emission characteristics of the engine. To acquire the data for training and testing the KELM model, the engine speed was selected as the input parameter, whereas the performance, exhaust emissions and combustion characteristics were chosen as the output parameters of the KELM model. The performance, emissions and combustion characteristics predicted by the KELM model were validated by comparing the predicted data with the experimental data. The results show that the coefficient of determination of the parameters is within a range of 0.9805-0.9991 for both the KELM model and the experimental data. The mean absolute percentage error is within a range of 0.1259-2.3838. This study shows that KELM modelling is a useful technique in biodiesel production since it facilitates scientists and researchers to predict the performance, exhaust emissions and combustion characteristics of internal combustion engines with high accuracy.
Dioxin-like compounds (DLCs) have been classified by the World Health Organization (WHO) as one of the most persistent toxic chemical substances in the environment, and they are associated with several occupational activities and industrial accidents around the world. Since the end of the 1970s, these toxic chemicals have been banned because of their human toxicity potential, long half-life, wide dispersion, and they bioaccumulate in the food web. This review serves as a primer for environmental health professionals to provide guidance on short-term risk assessment of dioxin and to identify key findings for health and exposure assessment based on policies of different agencies. It also presents possible health effects of dioxins, mechanisms of action, toxic equivalency factors (TEFs), and dose-response characterization. Key studies related to toxicity values of dioxin-like compounds and their possible human health risk were identified through PubMed and supplemented with relevant studies characterized by reviewing the reference lists in the review articles and primary literature. Existing data decreases the scope of analyses and models in relevant studies to a manageable size by focusing on the set of important studies related to the perspective of developing toxicity values of DLCs.
The rapidly increasing generation of municipal solid waste (MSW) threatens the environmental integrity and well-being of humans at a global level. Incineration is regarded as a technically sound technology for the management of MSW. However, the effective management of the municipal solid waste incineration (MSWI) ashes remains a challenge. This article presents the global dynamics of MSWI ashes research from 1994 to 2018 based on a bibliometric analysis of 1810 publications (research articles and conference proceedings) extracted from the Web of Science database, followed by a comprehensive summary on the research developments in the field. The results indicate the rapid growth of annual publications on MSWI ashes research, with China observed as the most productive country within the study period. Waste Management, Journal of Hazardous Materials, Chemosphere and Waste Management & Research, which accounted for 35.42% of documents on MSWI research, are the most prominent journals in the field. The most critical thematic areas on this topic are MSWI ashes characterisation, dioxin emissions from fly ash, valorisation of bottom ash and heavy metal removal. The evolution of MSWI ashes treatment technologies is also discussed, together with the challenges and future research directions. This is the first bibliometric analysis on global MSWI ashes research based on a sufficiently large dataset, which could provide new insights for researchers to initiate further research with leading institutions/authors and ultimately advance this research field.
The performance of local plants was tested using synthetic turbid water resembling real wastewater by measuring their ability to remove turbidity. The selected plants were A. indica, S. palustris, D. linearis, S. polyanthum, M. esculenta, P. sarmentosum, and M. malabathricum which can easily be found locally. The experiment was run based on coagulant dosages varied from 0 to 10 g/L for each plant with a rapid mixing speed at 180 rpm for 3 min, slow mixing speed at 10 rpm for 20 min, and settling time for 30 min. The results demonstrated that each plant has been capable of reducing turbidity by different amounts, with an increase in the coagulant dosage. The optimum coagulant dosages achieved for A. indica, S. palustris, S. polyanthum, and D. linearis were 10 g/L with turbidity removal at 26.9%, 24.9%, 24.9%, and 17.5%, respectively. P. sarmentosum and M. esculenta attained optimum coagulant dosages at 5 g/L with turbidity removal at 24.2% and 22.2%, and lastly M. malabathricum at 0.1 g/L (12.2%). P. sarmentosum was suggested to the best natural coagulant which achieved the highest removal of turbidity with a low dosage used.
Cellulosic fiber (CF) in nanoform is emergingly finding its way for COVID-19 solution for instance via nanocomposite/nanoparticle from various abundant biopolymeric waste materials, which may not be widely commercialized when the pandemic strikes recently. The possibility is wide open but needs proper collection of knowledge and research data. Thus, this article firstly reviews CF produced from various lignocellulosic or biomass feedstocks' pretreatment methods in various nanoforms or nanocomposites, also serving together with metal oxide (MeO) antimicrobial agents having certain analytical reporting. CF-MeO hybrid product can be a great option for COVID-19 antimicrobial resistant environment to be proposed considering the long-established CF and MeO laboratory investigations. Secondly, a preliminary pH investigation of 7 to 12 on zinc oxide synthesis discussing on Fouriertransform infrared spectroscopy (FTIR) functional groups and scanning electron microscope (SEM) images are also presented, justifying the knowledge requirement for future stable nanocomposite formulation. In addition to that, recent precursors suitable for zinc oxide nanoparticle synthesis with emergingly prediction to serve as COVID-19 purposes via different products, aligning with CFs or nanocellulose for industrial applications are also reviewed.
The purpose of this research is to synthesize environmentally friendly nanosorbents for the novel adsorption of diesel range organics (DRO) from contaminated water. Central composite design (CCD) analysis of response surface methodology (RSM) was employed in a model fitting of the variables predicting the adsorption efficiency of Moringa oleifera-functionalized zerovalent iron particles (ZINPs) for the removal of DRO. The effects of the reaction parameters on the response were screened using 24 factorial designs to determine the statistically significant independent variables. A quadratic model predicting the DRO adsorption efficiency of ZINPs with an F value of 276.84 (p value
The treatment of single and binary azo dyes, as well as the effect of the circuit connection, aeration, and plant on the performance of UFCW-MFC, were explored in this study. The decolorization efficiency of Remazol Yellow FG (RY) (single dye: 98.2 %; binary dye: 92.3 %) was higher than Reactive Black 5 (RB5) (single: 92.3 %; binary: 86.7 %), which could be due to monoazo dye (RY) requiring fewer electrons to break the azo bond compared to the diazo dye (RB5). In contrast, the higher decolorization rate of RB5 in binary dye indicated the removal rate was affected by the electron-withdrawing groups in the dye structure. The closed circuit enhanced about 2% of color and 4% of COD removal. Aeration improved the COD removal by 6%, which could be contributed by the mineralization of intermediates. The toxicity of azo dyes was reduced by 11-26% and the degradation pathways were proposed. The dye removal by the plants was increased with a higher contact time. RB5 was more favorable to be uptook by the plant as RB5 holds a higher partial positive charge. 127.39 (RY), 125.82 (RB5), and 58.66 mW/m3 (binary) of maximum power density were generated. The lower power production in treating the binary dye could be due to more electrons being utilized for the degradation of higher dye concentration. Overall, the UFCW-MFC operated in a closed circuit, aerated, and planted conditions achieved the optimum performance in treating binary azo dyes containing wastewater (dye: 87-92%; COD: 91%) compared to the other conditions (dye: 83-92%; COD: 78-87%).