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Toxicology Letters Oct 2023Organ-on-a-chip platforms are an emerging technology in experimental and regulatory toxicology (species-specific differences, ethical considerations). They address gaps...
Organ-on-a-chip platforms are an emerging technology in experimental and regulatory toxicology (species-specific differences, ethical considerations). They address gaps between in vivo and in vitro models. However, there are still certain limitations considering material, setup and applicability. The current study examined the suitability of a commercially available polydimethylsiloxane-based (PDMS) organ-chip for the toxicokinetic characterization of the highly toxic nerve agent VX and the organophosphate pesticide parathion. The respective concentrations of 1000 µmol/L and 100 µmol/L VX and parathion were chosen deliberately high in order to study concentrations even if high compound absorption by PDMS might occur. Neuronal and liver spheroids, totaling 2 × 10 cells were used to study concentration changes of VX and parathion. In addition, VX enantiomers were quantified. The current study suggests a significant absorption of VX, respectively parathion by PDMS. This might require future investigation of alternative materials or coatings to limit absorption for organophosphorus compounds in toxicokinetic studies.
Topics: Organophosphorus Compounds; Microfluidics; Toxicokinetics; Organothiophosphorus Compounds; Parathion; Dimethylpolysiloxanes
PubMed: 37827339
DOI: 10.1016/j.toxlet.2023.10.007 -
Journal of Agricultural and Food... Oct 2023Nanobody (Nb) has gained significant attention in immunoassays owing to its numerous advantages, particularly its ease of molecular evolution. However, the limited...
Nanobody (Nb) has gained significant attention in immunoassays owing to its numerous advantages, particularly its ease of molecular evolution. However, the limited understanding of how high sensitivity and specificity attained for antihapten Nbs hamper the development of high-performance Nbs. Herein, the antiparathion Nb (Nb9) we prepared previously was chosen as the model, and an approach based on X-ray crystallography, molecular docking, and rational site-directed saturation mutation for constructing a rapid and effective platform for nanobody evolution was described. Based on the structural analysis, two mutants, namely Nb-D5 (IC = 2.4 ± 0.2 ng/mL) and Nb-D12 (IC = 2.7 ± 0.1 ng/mL), were selected out from a six-sites directed saturation mutation library, 3.5-fold and 3.1-fold sensitivity enhancement over Nb9 to parathion, respectively. Besides, Nb-D12 exhibited improved sensitivity for quinalphos, triazophos, and coumaphos (5.4-35.4 ng/mL), indicating its broader detection potential. Overall, our study advances an effective strategy for the future rational evolution of Nbs with desirable performance.
Topics: Single-Domain Antibodies; Molecular Docking Simulation; Sensitivity and Specificity; Immunoassay; Evolution, Molecular
PubMed: 37768036
DOI: 10.1021/acs.jafc.3c05176 -
Environmental Science and Pollution... Oct 2023In this work, metal-organic frameworks (MOFs) including Fe-MIL-101 and Ti-MIL-125 were prepared and fixed on the melamine foam (MF) by polyvinylidene fluoride (PVDF) to...
In this work, metal-organic frameworks (MOFs) including Fe-MIL-101 and Ti-MIL-125 were prepared and fixed on the melamine foam (MF) by polyvinylidene fluoride (PVDF) to prepare MF/PVDF/MOFs, which was used as adsorbents in pipette-tip solid-phase extraction (PT-SPE) for rapid extraction of organophosphorus pesticides (OPPs). Then, a gas chromatograph-flame thermionic detector (GC-FTD) was used for simultaneous analysis of Dimethoate (DMT), Iprobenfos (IBF), Parathion-methyl (PAM), and Chlorpyrifos (CPF). The morphology, crystal structure, and functional groups of MF/PVDF/MOFs were characterized, indicating that Ti-MIL-125 and Fe-MIL-101 were successfully synthesized and distributed on MF. The Fe-MIL-101 and Ti-MIL-125 showed good extraction ability for OPPs, which was mainly due to the π-π interaction and the multiple porous structures. Under the optimal conditions, the limit of detection (LODs) of four OPPs was 0.03-0.14 μg L and the RSDs were less than 9.9%. The developed PT-SPE method showed a short extraction time (<3 min). The recoveries in fruits and vegetables (Celery, cabbages, and oranges) ranged from 75.3%-118.8% (RSDs<9.6%). The prepared MF/PVDF/MOFs demonstrated the efficient extraction performance of OPPs, contributing to the rapid pretreatment of OPPs from food and the environment.
Topics: Pesticides; Metal-Organic Frameworks; Organophosphorus Compounds; Vegetables; Fruit; Solid Phase Extraction; Limit of Detection
PubMed: 37755595
DOI: 10.1007/s11356-023-30055-0 -
Journal of Biomolecular Structure &... Sep 2023Organophosphorus pesticides (OPs) are widely used in agriculture and may contaminate food or water, leading to potential health risks. However, there are few reports on...
Organophosphorus pesticides (OPs) are widely used in agriculture and may contaminate food or water, leading to potential health risks. However, there are few reports on the effect of OPs on protein conformation and aggregation. Hence, in this paper, we have characterized the impact of two OPs, chlorpyrifos (CPF) and methyl parathion (Para), on the model protein HEWL using biophysical and computational methods. The steady-state and time-resolved spectroscopy, Circular dichroism (CD), molecular dynamics simulation, and isothermal titration calorimetry were employed to investigate the binding interactions between HEWL and OPs. The steady-state and time-resolved fluorescence spectroscopy confirm the presence of both static and dynamic quenching between OPs and proteins. Based on fluorescence, MD, and CD results, it was found that the OPs not only show strong binding but also destabilize the protein structure and alter the secondary and tertiary structure of the protein. The molecular docking results showed that OPs entered the binding pocket of the HEWL molecule and interacted through hydrophobic and hydrogen bond interactions. The thermodynamic studies indicated that the binding was spontaneous and OPs have shown an effect on the aggregation process of HEWL. Finally, the protein aggregation process was studied using fluorescence and SDS-PAGE studies in the presence of both the OPs and found to enhance the aggregation process in the presence of OPs. These results provide insights into the potential health risks associated with OPs and highlight the importance of understanding their interactions with biological macromolecules.Communicated by Ramaswamy H. Sarma.
PubMed: 37728535
DOI: 10.1080/07391102.2023.2259484 -
Analytical Chemistry Oct 2023An acetylcholinesterase (AChE) binding-based biosensor was developed for the ultrasensitive detection of organophosphate (OP) pesticides. The biosensor integrates the...
Competitive Assay for the Ultrasensitive Detection of Organophosphate Pesticides Based on a Fiber-Optic Particle Plasmon Resonance Biosensor and an Acetylcholinesterase Binding Peptide.
An acetylcholinesterase (AChE) binding-based biosensor was developed for the ultrasensitive detection of organophosphate (OP) pesticides. The biosensor integrates the technique based on fiber-optic particle plasmon resonance detection and a synthetic AChE binding peptide conjugated with gold nanoparticles on the optical fiber surface via an AChE competitive binding assay. The OP pesticides present in the solution hinder the binding of AChE to the peptide on the biosensor by competing for the binding sites present in AChE. The limit of detection obtained for parathion using this method was observed to be 0.66 ppt (2.3 pM). This method shows a wide linear dynamic range of 6 orders. Furthermore, the use of the AChE binding peptide in the biosensor can better discriminate OPs against carbamates by using only a single biosensor. The practical application of this method was tested using spiked samples, which yielded good recovery and reproducibility. The spiked sample required minimal pretreatment before analysis; hence, this biosensor may also be used in the field.
Topics: Acetylcholinesterase; Pesticides; Gold; Reproducibility of Results; Metal Nanoparticles; Organophosphorus Compounds; Insecticides; Organophosphates; Biosensing Techniques
PubMed: 37726976
DOI: 10.1021/acs.analchem.3c01960 -
The Analyst Oct 2023In this study, a simple and portable electrochemical sensor based on laser-induced graphene (LIG) has been developed to systematically investigate the feasibility of LIG...
In this study, a simple and portable electrochemical sensor based on laser-induced graphene (LIG) has been developed to systematically investigate the feasibility of LIG as an electrode to detect organophosphorus pesticides (OPs). It proves that the LIG-based electrode has a relatively high electrochemically active surface area (ECSA) and heterogeneous electron transfer (HET) of 0.100 cm and 0.000825 cm s, respectively. In addition, zirconium dioxide nanoparticles (ZrO NPs) have been modified on the electrode with three different binders, β-cyclodextrin (β-CD), chitosan (CS) and Nafion, to improve the adsorption capacity of the electrode toward OPs, and the effect of the binders on the performance of the as-fabricated sensor has been investigated in detail. The results show that β-CD increases not only the electrochemically active surface area of the electrode but also the redox peak current of methyl parathion (MP). To evaluate the sensitivity of the sensor, differential pulse voltammetry (DPV) curves have been tested in solutions containing different concentrations of MP using ZrO-β-CD/LIG as an electrode, which shows a detection range of 5-200 ng ml and a detection limit of 0.89 ng ml. In summary, the LIG-based sensor has a low detection limit, high sensitivity and good interference resistance, and thus has tremendous potential for the detection of pesticides in the environment.
PubMed: 37724336
DOI: 10.1039/d3an01215h -
The Science of the Total Environment Dec 2023Many anthropogenic chemicals are manufactured and eventually enter the surrounding environment, threatening food security and human health. Considering the additive or...
Synergistic/antagonistic toxicity characterization and source-apportionment of heavy metals and organophosphorus pesticides by the biospectroscopy-bioreporter-coupling approach.
Many anthropogenic chemicals are manufactured and eventually enter the surrounding environment, threatening food security and human health. Considering the additive or synergistic effects of pollutant mixtures, there is an expanding need for rapid, cost-effective and field-portable screening methods in environmental monitoring. This study used a recently developed biospectroscopy-bioreporter-coupling (BBC) approach to investigate the binary toxicity of Ag(I), Cr(VI) and four organophosphorus pesticides (dichlorvos, parathion, omethoate and monocrotophos). Ag(I) and Cr(VI) altered the toxicity mechanisms of pesticides, explained by the synergistic or antagonistic effect of Ag/Cr-induced cytotoxicity and pesticide-induced genotoxicity. The discriminating Raman spectral peaks associated with organophosphorus pesticides were 1585 and 1682 cm, but 750, 1004, 1306 and 1131 cm were found in heavy metal and pesticide mixtures. More spectral alterations were related to pesticides rather than Ag(I) or Cr(VI), hinting at the dominant toxicity mechanisms of pesticides in mixtures. Ag(I) supplement significantly increased the levels of reactive oxygen species induced by organophosphorus pesticides, attributing to the increased permeability of cell membrane and entrance of toxic substances into the cells by the oligodynamic actions. This study lends deeper insights into the interactions between microbes and pollutant mixtures, offering clues to assess the cocktail effects of multiple pollutants comprehensively.
Topics: Humans; Pesticides; Organophosphorus Compounds; Metals, Heavy; Environmental Pollutants
PubMed: 37709080
DOI: 10.1016/j.scitotenv.2023.167057 -
Analytical Methods : Advancing Methods... Sep 2023Nowadays, the presence of highly toxic and persistent residues of pesticides in water and food around the world is becoming a serious problem, and so their rapid and...
Nowadays, the presence of highly toxic and persistent residues of pesticides in water and food around the world is becoming a serious problem, and so their rapid and sensitive detection is critical to human health. In this work, a 3D composite nanoparticle of porous PDA (polydopamine) microspheres and Au NPs (PPDA@Au NPs) was proposed as a SERS substrate to detect pesticides. Porous PDA as a substrate was first synthesized with F127 (Pluronic F127), dopamine hydrochloride, and 1,3,5-TMB (1,3,5-trimethylbenzene) under weakly alkaline conditions by a one-step method. Then, HAuCl was reduced in the pores of PPDA spheres and grew sequentially for effecting the reducibility of PPDA. As a result, uniform 3D PPDA@Au NPs with "hot spots" were successfully synthesized as SERS substrates, which could effectively avoid the agglomeration of gold nanoparticles to greatly improve the sensitivity and uniformity of the SERS platform. At the same time, methyl parathion, 4-chlorophenol, and 2,4-D as representatives of pesticides were detected with the proposed PPDA@Au NP-based SERS platform, with detection limits lower than 7.26, 7.52, and 11 ng mL, separately. The current work presents a simple preparation method to prepare sensitive and uniform SERS platform PPDA@Au NPs, which have potential for applications in actual pesticide and drug testing.
Topics: Humans; Pesticides; Vegetables; Gold; Porosity; Metal Nanoparticles; Spectrum Analysis, Raman
PubMed: 37702073
DOI: 10.1039/d3ay00808h -
Journal of Biomolecular Structure &... Sep 2023Microbially induced calcite precipitation (MICP) through urease enzyme has attained a lot of recognition in various fields of civil engineering and geotechnology for...
Microbially induced calcite precipitation (MICP) through urease enzyme has attained a lot of recognition in various fields of civil engineering and geotechnology for stabilizing the strength of soil and various concrete materials. The activity of urease has been found to be affected by various factors like temperature, substrate concentrations, pH of the medium, presence of inhibitors, etc. Through this study, the outcome of the interaction of pesticides (commonly found in Indian coastal regions) on urease, a major organism reported for MICP studies has been investigated . The results from the study revealed that the enzyme has higher interactions of -4.1, -3.2, and -3.4 kJ/mol with common pesticides like dichloro diphenyl dichloro ethane(DDD), dichloro diphenyl trichloroe thane (DDT), and methyl parathion of organochlorides and organophosphates class. From the molecular dynamics simulation analysis, complex 1 (DDD -receptor) has been found to have the highest and more compact structure followed by methyl parathion -receptor. Prime MM-GBSA analysis also revealed the highest binding energy of -27.8 kcal/mol with the protein and DDD. Thus, it can be inferred from the current study that pesticides, particularly, DDD, DDT, and methyl parathion present in the coastal areas may have an impact on urease. This interaction can result in the inhibition of the urease activity of thus preventing the biomineralization process. This study would be the first report on the computational approach to understanding the interaction of prominent pesticides on the coastal region and urease.Communicated by Ramaswamy H. Sarma.
PubMed: 37691444
DOI: 10.1080/07391102.2023.2252089 -
Environmental Research Nov 2023The levels of pesticides in air, water, and soil are gradually increasing due to its inappropriate management. In particular, agricultural runoff inflicts the damages on... (Review)
Review
The levels of pesticides in air, water, and soil are gradually increasing due to its inappropriate management. In particular, agricultural runoff inflicts the damages on the ecosystem and human health at massive scale. Present study summarizes 70 studies in which investigations on removal or treatment of pesticides/insecticides/herbicides are reported. A bibliometric analysis was also done to understand the recent research trends through the analysis of 2218 publications. The specific objectives of this study are as follows: i) to inventorize the characteristics details of agriculture runoff and analyzing the occurrence and impacts of pesticides, ii) analyzing the role and interaction of pesticides in different environmental segments, iii) investigating the fate of pesticides in agriculture runoff treatment systems, iv) summarizing the experiences and findings of most commonly technology deployed for pesticides remediation in agriculture runoff including target pesticide(s), specifications, configuration of technological intervention. Among the reported technologies for pesticide treatment in agriculture runoff, constructed wetland was at the top followed by algal or photobioreactor. Among various advanced oxidation processes, photo Fenton method is mainly used for pesticides remediation such as triazine, methyl parathion, fenuron and diuron. Algal bioreactors are extensively used for a wide range of pesticides treatment including 2,4-Dichlorophenoxyacetic acid, 2-methyl-4-chlorophenoxyacetic acid, alachlor, diuron, chlorpyrifos, endosulfan, and imidacloprid; especially at lower hydraulic retention time of 2-6 h. This study highlights that hybrid approaches can offers potential opportunities for effective removal of pesticides in a more viable manner.
PubMed: 37689336
DOI: 10.1016/j.envres.2023.117100