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  1. Article ; Online: Exploring the adsorption potential of Na2SiO3-activated porous carbon materials from waste bamboo biomass for ciprofloxacin rapid removal in wastewater

    Guo, Yue / Wang, Qingyue

    Environmental Technology & Innovation. 2023 Nov., v. 32 p.103318-

    2023  

    Abstract: Effective utilization of biomass waste has become a key focus in achieving a sustainable future, considering the substantial amount of waste generated globally. This study investigates the characterization and evaluation of Na₂SiO₃-activated carbon ... ...

    Abstract Effective utilization of biomass waste has become a key focus in achieving a sustainable future, considering the substantial amount of waste generated globally. This study investigates the characterization and evaluation of Na₂SiO₃-activated carbon derived from moso bamboo at various temperatures (500–900 °C) and residence time periods (30, 90, and 120 mins at 900 °C) for ciprofloxacin removal in aqueous solutions at initial concentrations of 50–250 mg/L. The activated carbons were characterized using N2 adsorption isotherms, revealing a combined Type I and Type IV behavior. The specific surface area (SBET) and total pore volume increased with increasing activation temperature, ranging from 157.3 m²/g to 381.6 m²/g. Regarding residence time, the SBET followed the sequence: Na₂SiO₃-60 (381.6 m²/g) > Na₂SiO₃-90 (333.8 m²/g) > Na2SiO3-120 (323.6 m²/g) > Na₂SiO₃-30 (312.7 m²/g). XRD analysis indicated a distinct peak at 23°, corresponding to the (002) plane of amorphous carbon, while Raman spectroscopy confirmed the presence of the D band and G band, indicating an amorphous carbon structure (ID/IG > 1). The adsorption performance of ciprofloxacin (CIP) on the activated carbons was evaluated at 298 K. The highest CIP removal rate of 89.2% was achieved within one hour using Na₂SiO₃-900, followed by Na₂SiO₃-800, Na₂SiO₃-700, Na Na₂SiO₃-600, and Na₂SiO₃-500, consistent with the SBET trend. The Langmuir adsorption isotherm model provided the best fit for analyzing the adsorption process, indicating predominantly monolayer adsorption, while the Freundlich model was suitable for ACs with different residence times. The maximum adsorption capacity of CIP was recorded for Na₂SiO₃-30 AC (17.12 mg/g). In conclusion, the synthesized activated carbons show promising potential as adsorbents for ciprofloxacin removal from water.
    Keywords Phyllostachys edulis ; Raman spectroscopy ; adsorbents ; adsorption ; bamboos ; biomass ; carbon ; ciprofloxacin ; environmental technology ; models ; sorption isotherms ; surface area ; temperature ; wastewater ; Bamboo-based activated carbon ; Waste
    Language English
    Dates of publication 2023-11
    Publishing place Elsevier B.V.
    Document type Article ; Online
    ISSN 2352-1864
    DOI 10.1016/j.eti.2023.103318
    Database NAL-Catalogue (AGRICOLA)

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  2. Article ; Online: Combined experimental and molecular dynamics removal processes of contaminant phenol from simulated wastewater by polyethylene terephthalate microplastics.

    Enyoh, Christian Ebere / Wang, Qingyue

    Environmental technology

    2022  Volume 45, Issue 6, Page(s) 1183–1202

    Abstract: Microplastics (MPs) and phenolics are pollutants found ubiquitously in freshwater systems. MPs oftentimes serve as a vector for pollutants across ecosystems and are now being explored as alternative adsorbents for pollutant removal. This strategy would ... ...

    Abstract Microplastics (MPs) and phenolics are pollutants found ubiquitously in freshwater systems. MPs oftentimes serve as a vector for pollutants across ecosystems and are now being explored as alternative adsorbents for pollutant removal. This strategy would reflect the 'reuse' of an existing waste stream into a potentially useful product while at the same time helping to minimize plastic waste in the marine environment. In this study, the adsorption of phenol onto pristine (Pr-PET), modified (Mod-PET), and aged (Ag-PET) Polyethylene Terephthalate (PET) microplastics was examined experimentally and theoretically. Kinetics, isotherms, and thermodynamics models were used to investigate the adsorption process while Grand Canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations were employed to investigate molecular level alterations. The result showed that the Ag-PET MPs had the best removal efficiency due larger surface area and the adsorption occurred in a pseudo-second-order manner, showing that the rate of phenol adsorption is directly proportional to the number of surface-active sites on the surface of PET MPs while the intraparticle diffusion defined rate-limiting step. However, the maximum monolayer adsorption capacity followed Mod-PET (38.02 mg/g) > Ag-PET (8.08 mg/g) > Pr-PET (6.84 mg/g). The adsorption process proceeded spontaneously and thermodynamically favourable. GCMC-MD simulations revealed that PET MPs are capable of successfully adsorbing the phenol molecule through Van der Waals and electrostatic interactions and can be adopted as novel adsorbents for phenol removal in aqueous solutions.
    MeSH term(s) Microplastics/chemistry ; Phenol/chemistry ; Plastics ; Polyethylene Terephthalates ; Wastewater ; Molecular Dynamics Simulation ; Ecosystem ; Water Pollutants, Chemical/chemistry ; Phenols ; Environmental Pollutants ; Adsorption ; Polyethylene/chemistry
    Chemical Substances Microplastics ; Phenol (339NCG44TV) ; Plastics ; Polyethylene Terephthalates ; Wastewater ; Water Pollutants, Chemical ; Phenols ; Environmental Pollutants ; Polyethylene (9002-88-4)
    Language English
    Publishing date 2022-10-26
    Publishing country England
    Document type Journal Article
    ISSN 1479-487X
    ISSN (online) 1479-487X
    DOI 10.1080/09593330.2022.2139636
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: EM-Trans: Edge-Aware Multimodal Transformer for RGB-D Salient Object Detection.

    Chen, Geng / Wang, Qingyue / Dong, Bo / Ma, Ruitao / Liu, Nian / Fu, Huazhu / Xia, Yong

    IEEE transactions on neural networks and learning systems

    2024  Volume PP

    Abstract: RGB-D salient object detection (SOD) has gained tremendous attention in recent years. In particular, transformer has been employed and shown great potential. However, existing transformer models usually overlook the vital edge information, which is a ... ...

    Abstract RGB-D salient object detection (SOD) has gained tremendous attention in recent years. In particular, transformer has been employed and shown great potential. However, existing transformer models usually overlook the vital edge information, which is a major issue restricting the further improvement of SOD accuracy. To this end, we propose a novel edge-aware RGB-D SOD transformer, called, which explicitly models the edge information in a dual-band decomposition framework. Specifically, we employ two parallel decoder networks to learn the high-frequency edge and low-frequency body features from the low-and high-level features extracted from a two-steam multimodal backbone network, respectively. Next, we propose a cross-attention complementarity exploration module to enrich the edge/body features by exploiting the multimodal complementarity information. The refined features are then fed into our proposed color-hint guided fusion module for enhancing the depth feature and fusing the multimodal features. Finally, the resulting features are fused using our deeply supervised progressive fusion module, which progressively integrates edge and body features for predicting saliency maps. Our model explicitly considers the edge information for accurate RGB-D SOD, overcoming the limitations of existing methods and effectively improving the performance. Extensive experiments on benchmark datasets demonstrate that is an effective RGB-D SOD framework that outperforms the current state-of-the-art models, both quantitatively and qualitatively. A further extension to RGB-T SOD demonstrates the promising potential of our model in various kinds of multimodal SOD tasks.
    Language English
    Publishing date 2024-02-13
    Publishing country United States
    Document type Journal Article
    ISSN 2162-2388
    ISSN (online) 2162-2388
    DOI 10.1109/TNNLS.2024.3358858
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Degradation of Polyethylene Terephthalate Microplastics by Mineral Acids: Experimental, Molecular Modelling and Optimization Studies

    Chowdhury, Tanzin / Wang, Qingyue / Enyoh, Christian Ebere

    J Polym Environ. 2022 Dec., v. 30, no. 12 p.5211-5227

    2022  

    Abstract: Mineral acids in the atmosphere breakdown on the action of oxygen and release acid gases into atmosphere causing acid rain, which can chemically weather materials. We hypothesized that the chemical weathering caused by these mineral acids may also ... ...

    Abstract Mineral acids in the atmosphere breakdown on the action of oxygen and release acid gases into atmosphere causing acid rain, which can chemically weather materials. We hypothesized that the chemical weathering caused by these mineral acids may also influence the rate of degradation or cracking of MPs in the environment. However, studies focusing on the chemical weathering process of mineral acids in the environment on polyethylene terephthalate (PET) is not available in literature. In the present work, PET microplastics (MPs) (1000 µm) were artificially degraded by acids such as hydrochloric acid (HA), nitric acid (NA) and sulphuric acid (SA) under the effect of contact time (30, 60, 120, 720 and 1440 min), temperature (10, 25, 40, 70,100 and 130 °C), and shaking speed (100, 150, 200 and 250 rpm). Degradation was monitored by weight loss, Variable Pressure Scanning Electron Microscope (VP-SEM) and Attenuated total reflectance-Fourier-Transform Infrared (ATR-FTIR) and optimized by Response Surface Methodology (RSM). Results showed that the weight loss were slow but increased with increasing contact time, temperature and shaking speed. For all three acids, the PET MPs spectra peak loss was similar for the different effects. However, the speed of degradation based on the ATR-FTIR and weight loss results followed temperature > shaking speed > contact time. The surface interactions between the PET MPs and acids were investigated using Monte Carlo (MC) simulations and Density functional theory (DFT) Studies. Overall, ATR-FTIR analysis and DFT studies suggested that the breakdown took place through the parts of the PET MPs structure containing oxygen atoms (–OH, C=O) and the aromatic ring. However, optimization results from RSM showed optimal weight loss of 33%, 30% and 22% for HA, SA and NA respectively. Therefore, these acids can be employed in PET MPs degradation and higher rate of degradation will require longer time, high temperature and shaking speeds.
    Keywords acid rain ; aromatic compounds ; density functional theory ; hydrochloric acid ; microplastics ; nitric acid ; oxygen ; polyethylene terephthalates ; response surface methodology ; sulfuric acid ; temperature ; weight loss
    Language English
    Dates of publication 2022-12
    Size p. 5211-5227.
    Publishing place Springer US
    Document type Article ; Online
    ZDB-ID 2017207-2
    ISSN 1572-8919 ; 1572-8900 ; 1566-2543
    ISSN (online) 1572-8919 ; 1572-8900
    ISSN 1566-2543
    DOI 10.1007/s10924-022-02578-z
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  5. Article ; Online: Size characteristics and health risks of inorganic species in PM

    Wang, Qingyue / Wang, Weiqian

    Environmental science and pollution research international

    2020  Volume 27, Issue 13, Page(s) 14690–14701

    Abstract: Ambient particulates of Shanghai with 5-stage particle sizes were firstly determined in spring, 2017. The particles' mass concentrations were mainly observed in fine particle matter ( ... ...

    Abstract Ambient particulates of Shanghai with 5-stage particle sizes were firstly determined in spring, 2017. The particles' mass concentrations were mainly observed in fine particle matter (PM
    MeSH term(s) Adult ; Air Pollutants/analysis ; Air Pollution/analysis ; Child ; China ; Environmental Monitoring ; Humans ; Particle Size ; Particulate Matter/analysis
    Chemical Substances Air Pollutants ; Particulate Matter
    Language English
    Publishing date 2020-02-12
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1178791-0
    ISSN 1614-7499 ; 0944-1344
    ISSN (online) 1614-7499
    ISSN 0944-1344
    DOI 10.1007/s11356-020-07932-z
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Pollution characteristics and risk assessment of potentially toxic elements of fine street dust during COVID-19 lockdown in Bangladesh

    Rabin, Mominul Haque / Wang, Qingyue / Kabir, Md Humayun / Wang, Weiqian

    Environ Sci Pollut Res. 2023 Jan., v. 30, no. 2 p.4323-4345

    2023  

    Abstract: Due to the COVID-19 pandemic, Bangladesh government took the measure like partial lockdown (PL) and complete lockdown (CL) to curb the spread. These measures gave a chance for environmental restoration. In this study, street dust samples were collected ... ...

    Abstract Due to the COVID-19 pandemic, Bangladesh government took the measure like partial lockdown (PL) and complete lockdown (CL) to curb the spread. These measures gave a chance for environmental restoration. In this study, street dust samples were collected during PL and CL from four main urban land use categories in Dhaka city, such as industrial area (IA), commercial area (CA), public facilities area (PFA), and residential area (RA). Ten potentially toxic elements (Cr, Mn, Zn, Fe, Pb, Cu, Co, Ni, As, and Cd) in fine street dust particles (diameter < 20 μm) were determined following aqua-regia digestion and measured by inductively coupled plasma mass spectrometry (ICP-MS) to evaluate distribution, pollution sources, and potential risks to ecological systems and human health. Results showed that during PL, the concentrations of toxic elements in the dust were higher than that of CL. Cd and Fe were lowest and highest in concentration with 1.56 to 41,970 µg/g and 0.82 to 39,330 µg/g in partial and complete lockdown period respectively. All toxic elements were detected at high levels above background values where Fe with the highest and Cd with lowest concentrations, respectively. By land use, the levels of toxic elements pollution followed IA > PFA > RA > CA. Correlation analysis (CA), principal component analysis (PCA), and hierarchal cluster analysis (HCA) revealed that the sources of these analyzed toxic elements were mainly from anthropogenic which are related to industrial and vehicular or traffic emissions. Enrichment factor (EF), geoaccumulation index (Igₑₒ), contamination factor (CF), and pollution load index (PLI) also suggested that the dust was more polluted during PL. Exposure of toxic elements to human was mainly via skin contact followed by ingestion and inhalation. Hazard quotient (HQ) values were < 1 except for Mn through dermal contact at all sites during partial and complete lockdown, similar to hazard index (HI), while Cr further showed high non-carcinogenic risks to children. Generally, children HI values were about 5–6 times higher than those of adults, suggesting a greater vulnerability of children to the health concerns caused by toxic elements in street dust. Carcinogenic risk (CR) values via ingestion pathway indicated all elements (except Pb) had significant health effect, while CR value by inhalation results showed no significant health effect. Cumulative carcinogenic risk (CCR) value had significant health effect except Pb in all land use categories. CCR values decreased during CL and reached at acceptable limit for most of the cases. This research provides a message to the local governments and environmental authorities to have a complete assessment of toxic elements in the street dust of Dhaka megacity in order to assuring public health safety and ecological sustainability.
    Keywords COVID-19 infection ; aqua regia ; atomic absorption spectrometry ; breathing ; carcinogenicity ; cities ; cluster analysis ; digestion ; dust ; ecological restoration ; environmental sustainability ; human health ; humans ; ingestion ; land use ; pollution load ; principal component analysis ; public health ; residential areas ; risk ; risk assessment ; traffic ; Bangladesh
    Language English
    Dates of publication 2023-01
    Size p. 4323-4345.
    Publishing place Springer Berlin Heidelberg
    Document type Article ; Online
    ZDB-ID 1178791-0
    ISSN 1614-7499 ; 0944-1344
    ISSN (online) 1614-7499
    ISSN 0944-1344
    DOI 10.1007/s11356-022-22541-8
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  7. Article ; Online: Distribution, Potential Sources, and Health Risk of Microplastics (MPs) in Street Dust during and after COVID-19 Lockdown in Bangladesh

    Rabin, Mominul Haque / Wang, Qingyue / Enyoh, Christian Ebere / Kai, Xiao / Sheuty, Tasnoba Firoze

    Environments. 2023 July 21, v. 10, no. 7

    2023  

    Abstract: The advent of the COVID-19 era has ushered in significant changes to both the environment and daily life. During the COVID-19 lockdown, a unique opportunity emerged to improve environmental quality and mitigate certain impacts on the planet. The ... ...

    Abstract The advent of the COVID-19 era has ushered in significant changes to both the environment and daily life. During the COVID-19 lockdown, a unique opportunity emerged to improve environmental quality and mitigate certain impacts on the planet. The distribution and health risks of microplastics (MPs) in the street dust of Dhaka city, Bangladesh during and after COVID-19 lockdowns were examined in this study. The study covered sites selected based on land usage, including an industrial area (IA), commercial area (CA), public facilities area (PFA), and residential area (RA). The particles in the dust samples were analyzed using a fluorescent microscope and attenuated total reflectance Fourier-transform infrared spectroscopy. The results show that the maximum number of MP particles/g of street dust sample was recorded from industrial areas (17.33 MP particles/g) and the minimum was recorded from residential areas (13.99 MP particles/g) without lockdown. The trends in the MPs were as follows: without lockdown > partial lockdown > complete lockdown. Risk analysis showed that the MPs in dust pose low non-carcinogenic risk to inhabitants of the study area and across lockdown periods. Principal component analysis showed that during the partial lockdown period, comparable sources were detected for the cellulose/low-density polyethylene (LDPE)/high-density polyethylene (HDPE), polychloroprene (PCP)/polyethylene terephthalate (PET)/polypropylene (PP)/polyacrylamide (PAA)/nylon, and polyethylene (PE)/polydimethylsiloxane (PDMS)/polyvinyl alcohol (PVA)/fiber groups of MPs, but various sources were discovered during the complete and without lockdown periods. The results further showed that all MP types would pose no non-carcinogenic or carcinogenic risks in dust from all land-use areas. However, the highest risks were obtained from inhaling dust. The study shows that human activities have a significant impact on the generation and distribution of MPs in the environment. The changes in MP type distribution during lockdown suggest that reducing human activities, such as traffic and industrial activity, can lead to a decrease in the quantity of MPs generated and released into the environment.
    Keywords COVID-19 infection ; Fourier transform infrared spectroscopy ; alcohols ; carcinogenicity ; dust ; environmental quality ; fluorescence microscopes ; humans ; land use ; microplastics ; polyethylene ; principal component analysis ; reflectance ; residential areas ; risk ; risk analysis ; traffic ; Bangladesh
    Language English
    Dates of publication 2023-0721
    Publishing place Multidisciplinary Digital Publishing Institute
    Document type Article ; Online
    ZDB-ID 2777960-9
    ISSN 2076-3298
    ISSN 2076-3298
    DOI 10.3390/environments10070130
    Database NAL-Catalogue (AGRICOLA)

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  8. Article ; Online: Pollution characteristics and risk assessment of potentially toxic elements of fine street dust during COVID-19 lockdown in Bangladesh.

    Rabin, Mominul Haque / Wang, Qingyue / Kabir, Md Humayun / Wang, Weiqian

    Environmental science and pollution research international

    2022  Volume 30, Issue 2, Page(s) 4323–4345

    Abstract: Due to the COVID-19 pandemic, Bangladesh government took the measure like partial lockdown (PL) and complete lockdown (CL) to curb the spread. These measures gave a chance for environmental restoration. In this study, street dust samples were collected ... ...

    Abstract Due to the COVID-19 pandemic, Bangladesh government took the measure like partial lockdown (PL) and complete lockdown (CL) to curb the spread. These measures gave a chance for environmental restoration. In this study, street dust samples were collected during PL and CL from four main urban land use categories in Dhaka city, such as industrial area (IA), commercial area (CA), public facilities area (PFA), and residential area (RA). Ten potentially toxic elements (Cr, Mn, Zn, Fe, Pb, Cu, Co, Ni, As, and Cd) in fine street dust particles (diameter < 20 μm) were determined following aqua-regia digestion and measured by inductively coupled plasma mass spectrometry (ICP-MS) to evaluate distribution, pollution sources, and potential risks to ecological systems and human health. Results showed that during PL, the concentrations of toxic elements in the dust were higher than that of CL. Cd and Fe were lowest and highest in concentration with 1.56 to 41,970 µg/g and 0.82 to 39,330 µg/g in partial and complete lockdown period respectively. All toxic elements were detected at high levels above background values where Fe with the highest and Cd with lowest concentrations, respectively. By land use, the levels of toxic elements pollution followed IA > PFA > RA > CA. Correlation analysis (CA), principal component analysis (PCA), and hierarchal cluster analysis (HCA) revealed that the sources of these analyzed toxic elements were mainly from anthropogenic which are related to industrial and vehicular or traffic emissions. Enrichment factor (EF), geoaccumulation index (I
    MeSH term(s) Adult ; Child ; Humans ; Dust/analysis ; Bangladesh ; Cadmium/analysis ; Lead/analysis ; Pandemics ; Environmental Monitoring/methods ; Metals, Heavy/analysis ; COVID-19 ; Communicable Disease Control ; Cities ; Risk Assessment/methods ; Carcinogens/analysis ; China
    Chemical Substances Dust ; Cadmium (00BH33GNGH) ; Lead (2P299V784P) ; Metals, Heavy ; Carcinogens
    Language English
    Publishing date 2022-08-15
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1178791-0
    ISSN 1614-7499 ; 0944-1344
    ISSN (online) 1614-7499
    ISSN 0944-1344
    DOI 10.1007/s11356-022-22541-8
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Evaluation of nanoplastics toxicity to the human placenta in systems.

    Enyoh, Christian Ebere / Duru, Chidi Edbert / Ovuoraye, Prosper E / Wang, Qingyue

    Journal of hazardous materials

    2022  Volume 446, Page(s) 130600

    Abstract: Following the discovery of plastics in the human placenta, this study evaluated the toxicity of ten different nanoplastics (NPs) in the human placenta. Since the placenta performs metabolic and excretion functions by the enzymatic system, the NPs were ... ...

    Abstract Following the discovery of plastics in the human placenta, this study evaluated the toxicity of ten different nanoplastics (NPs) in the human placenta. Since the placenta performs metabolic and excretion functions by the enzymatic system, the NPs were docked on these human enzymes including soluble epoxide hydrolase, uracil phosphoribosyltransferase, beta 1,3-glucuronyltransferase I, sulfotransferase, N-acetyltransferase 2, and cytochrome P450 1A1at their active sites with toxicity (binding affinity) determined and compared to control compounds. Density functional theory analysis were conducted on the NPs to identify their global reactivity descriptors and Artificial Neural Networks to predict toxicity based on reactivity descriptors. Polycarbonate (PC), polyethylene terephthalate (PET) and polystyrene (PS) showed the highest toxicity to all enzymes and thus the most toxic polymers due to the presence of an electron-withdrawing group in their aromatic rings, which demonstrated an improved recognition of the enzyme active site by pi- and alkyl interactions. A 2
    MeSH term(s) Humans ; Pregnancy ; Female ; Placenta ; Microplastics ; Nanoparticles/chemistry ; Water Pollutants, Chemical/chemistry ; Plastics ; Polystyrenes/chemistry
    Chemical Substances Microplastics ; Water Pollutants, Chemical ; Plastics ; Polystyrenes
    Language English
    Publishing date 2022-12-17
    Publishing country Netherlands
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1491302-1
    ISSN 1873-3336 ; 0304-3894
    ISSN (online) 1873-3336
    ISSN 0304-3894
    DOI 10.1016/j.jhazmat.2022.130600
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Toxicity evaluation of microplastics to aquatic organisms through molecular simulations and fractional factorial designs.

    Enyoh, Christian Ebere / Wang, Qingyue / Ovuoraye, Prosper E / Maduka, Tochukwu Oluwatosin

    Chemosphere

    2022  Volume 308, Issue Pt 2, Page(s) 136342

    Abstract: Molecular docking, molecular dynamics modelling, and fractional factorial design methodologies were used in the current work to examine the harmful effects of ten microplastic (MPs) such as polystyrene (PS), polyvinylchloride (PVC), polyurethane (PU), ... ...

    Abstract Molecular docking, molecular dynamics modelling, and fractional factorial design methodologies were used in the current work to examine the harmful effects of ten microplastic (MPs) such as polystyrene (PS), polyvinylchloride (PVC), polyurethane (PU), polymethyl methacrylate (PMMA), polyamide (PA), polyethylene terephthalate (PET), polyethylene (PE), polypropylene (PP), polychloropene (PCP) and polycarbonate (PC) on the aquatic organism (zebrafish). The toxicity was evaluated based on the docking of the MPs on cytochrome P450 (CYP P450) protein crystals. The binding affinities (ΔG) followed the order, PC (-6.9 kcal/mol) > PET (-6.1 kcal/mol) > PP (-5.8 kcal/mol) > PA (-5.6 kcal/mol) > PS (-5.1 kcal/mol) > PU (-4.1 kcal/mol) > PMMA (-3.9 kcal/mol) > PCP (-3.3 kcal/mol) > PVC (-2.4 kcal/mol) > PE (-2.1 kcal/mol). The primary driving factors for the binding of the MPs and the protein were hydrophobic force, and hydrogen bonding based on the molecular dynamics analysis and surrounding amino acid residues. Furthermore, a 2
    MeSH term(s) Amino Acids ; Animals ; Aquatic Organisms ; Microplastics ; Molecular Docking Simulation ; Nylons ; Plastics/toxicity ; Polyethylene/chemistry ; Polyethylene Terephthalates ; Polymethyl Methacrylate ; Polypropylenes ; Polystyrenes/chemistry ; Polyurethanes ; Polyvinyl Chloride/toxicity ; Zebrafish
    Chemical Substances Amino Acids ; Microplastics ; Nylons ; Plastics ; Polyethylene Terephthalates ; Polypropylenes ; Polystyrenes ; Polyurethanes ; Polyvinyl Chloride (9002-86-2) ; Polyethylene (9002-88-4) ; Polymethyl Methacrylate (9011-14-7)
    Language English
    Publishing date 2022-09-07
    Publishing country England
    Document type Journal Article
    ZDB-ID 120089-6
    ISSN 1879-1298 ; 0045-6535 ; 0366-7111
    ISSN (online) 1879-1298
    ISSN 0045-6535 ; 0366-7111
    DOI 10.1016/j.chemosphere.2022.136342
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