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1.
Pestic Biochem Physiol ; 205: 106159, 2024 Nov.
Article in English | MEDLINE | ID: mdl-39477612

ABSTRACT

Profenofos, as a typical chiral organophosphorus pesticide, can cause various environmental problems and even endanger human health when used in excess. The toxicity of chiral profenofos was investigated through multispectral analysis, molecular docking, and density functional theory (DFT), employing human serum albumin (HSA) as the model protein. Fluorescence titration and lifetime measurements demonstrated that the interaction between chiral profenofos and HSA involves static quenching. Chiral profenofos forms a 1:1 complex with HSA at site II (subdomain IIIA), primarily driven by hydrophobic interactions and hydrogen bonds. Notably, the binding efficacy diminishes as temperature increases. Spectroscopic analyses confirm that chiral profenofos alters the microenvironment and structure of HSA, with the R-enantiomer exerting a greater impact than the S-enantiomer. Consequently, the toxicological implications of the R-profenofos is significantly more pronounced. Investigating the molecular-level toxic effects of chiral pesticides enhances the thoroughness of pesticide assessments, aids in understanding their distribution, metabolism, and associated risks, and facilitates the development of mitigation strategies.


Subject(s)
Molecular Docking Simulation , Organothiophosphates , Serum Albumin, Human , Humans , Serum Albumin, Human/chemistry , Serum Albumin, Human/metabolism , Stereoisomerism , Organothiophosphates/chemistry , Organothiophosphates/toxicity , Organothiophosphates/pharmacology , Pesticides/chemistry , Pesticides/toxicity , Hydrophobic and Hydrophilic Interactions , Hydrogen Bonding , Protein Conformation
2.
Ecotoxicol Environ Saf ; 262: 115127, 2023 Jun 13.
Article in English | MEDLINE | ID: mdl-37320915

ABSTRACT

Cu2+ is an essential trace element for the organism, but its excess can also cause irreversible damage to the organism. As such, a "Turn-Off" fluorescent probe DPAP for the specific detection of Cu2+ was successfully constructed. DPAP exhibits large Stokes shift (120 nm), fast reaction speed (1 min), low detection limit (15.2 nM), low toxicity, and good cell permeability. Cu2+ quenches the fluorescence of DPAP by blocking its intramolecular charge transfer process to achieve the detection of Cu2+ and has been confirmed by HRMS, 1H NMR and DFT calculations. Excitingly, the five-cycle detection of Cu2+ and the successful recovery of trace Cu2+ in environmental water samples fully demonstrate the potential of DPAP for practical applications. In particular, DPAP can observe the distribution and translocation patterns of exogenous Cu2+ in HeLa cells and zebrafish in real-time. This research concept has offered important theoretical support for the study of the environmental behavior of heavy metal ions.

3.
Pestic Biochem Physiol ; 197: 105696, 2023 Dec.
Article in English | MEDLINE | ID: mdl-38072551

ABSTRACT

Chiral pesticides may exhibit enantioselectivity in terms of bioconcentration, environmental fate, and reproductive toxicity. Here, chiral prothioconazole and its metabolites were selected to thoroughly investigate their enantioselective toxicity and mechanisms at the molecular and cellular levels. Multispectral techniques revealed that the interaction between chiral PTC/PTCD and lysozyme resulted in the formation of a complex, leading to a change in the conformation of lysozyme. Meanwhile, the effect of different conformations of PTC/PTCD on the conformation of lysozyme differed, and its metabolites were able to exert a greater effect on lysozyme compared to prothioconazole. Moreover, the S-configuration of PTCD interacted most strongly with lysozyme. This conclusion was further verified by DFT calculations and molecular docking as well. Furthermore, the oxidative stress indicators within HepG2 cells were also affected by chiral prothioconazole and its metabolites. Specifically, S-PTCD induced more substantial perturbation of the normal oxidative stress processes in HepG2 cells, and the magnitude of the perturbation varied significantly among different configurations (P > 0.05). Overall, chiral prothioconazole and its metabolites exhibit enantioselective effects on lysozyme conformation and oxidative stress processes in HepG2 cells. This work provides a scientific basis for a more comprehensive risk assessment of the environmental behaviors and effects caused by chiral pesticides, as well as for the screening of highly efficient and less biotoxic enantiomeric monomers.


Subject(s)
Fungicides, Industrial , Pesticides , Humans , Fungicides, Industrial/pharmacology , Stereoisomerism , Molecular Docking Simulation , Hep G2 Cells , Muramidase/metabolism , Oxidative Stress
4.
Ecotoxicol Environ Saf ; 232: 113243, 2022 Mar 01.
Article in English | MEDLINE | ID: mdl-35093815

ABSTRACT

Fluorescence-labeling technology has been widely used for rapid detection of pesticides in agricultural production. However, there are few studies on the use of this technology to investigate pesticide uptake and transport in plants with fluorescent nanoparticle formulations. Here, we investigated uptake, transport, accumulation and metabolism of imidacloprid loaded in fluorescent mesoporous SiO2 nanoparticles (Im@FL-MSNs) in tomato plants, and compared the results with the pesticide application in granular formulation. The results revealed that Im@FL-MSNs applied via root uptake and foliar spray both could effectively transport in tomato plants and carry the imidacloprid to plant tissues. Neither Im@FL-MSNs nor imidacloprid was detected inside of tomato fruits from root uptake or foliar spray applications. Compared with the foliar application of granular formulation, imidacloprid in Im@FL-MSNs demonstrated a higher concentration in leaves (1.14 ± 0.07 mg/kg > 1.08 ± 0.04 mg/kg, 1.13 ± 0.09 mg/kg > 1.11 ± 0.02 mg/kg), longer half-life (0.84 d < 1.31 d, 0.90 d < 1.36 d) and small numbers of metabolites formed. These results suggest that mesoporous silica nanoparticles could serve as an effective and efficient pesticide carrier for achieving the high use efficiency in plant protection. The information is also helpful to guide the pesticide applications and assess the risks associated with environmental quality and dietary consumption of vegetables.


Subject(s)
Nanoparticles , Solanum lycopersicum , Solanum lycopersicum/metabolism , Nanoparticles/metabolism , Neonicotinoids , Nitro Compounds , Silicon Dioxide
5.
Ecotoxicol Environ Saf ; 246: 114132, 2022 Nov.
Article in English | MEDLINE | ID: mdl-36206638

ABSTRACT

Nanotechnology has been widely used in the field of pesticides. Integration of nano-pesticides and carbon dot fluorescence can fully utilize the potential for high admission of pesticides on leaves and convenience observation of its distribution and transport in the tissues. In the present study, a fluorescent mesoporous nanosilica with double hollow shells for loading imidacloprid (Im@FL-MSNs) was designed and synthesized. The physical and chemical properties of the imidacloprid nanocarriers were characterized by transmission electron microscopy (TEM), FT-IR spectroscopy, thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS) and N2 adsorption/desorption. When the mass ratio of FL MSNs to imidacloprid is 6:5, Im@FL-MSNs exhibits good fluorescence properties, high loading efficiency (∼30%), great slow-release performance as well as pH controllability. Besides, Im@FL-MSNs can improve the ability of imidacloprid to adhere on the leaf surface of bok choy (Initial contact angled is greater than 80°ï¼‰. Importantly, Im@FL-MSNs did not reduce the biological activity of imidacloprid (LC50 (95% CI) = 1.43 mg/L). It was able to visually study the absorption and distribution of imidacloprid in bok choy plants, and provide theoretical and technical guidance for pesticide reduction.


Subject(s)
Nanoparticles , Pesticides , Silicon Dioxide/chemistry , Nanoparticles/chemistry , Delayed-Action Preparations , Spectroscopy, Fourier Transform Infrared , Pesticides/chemistry , Hydrogen-Ion Concentration
6.
Ecotoxicol Environ Saf ; 243: 113979, 2022 Sep 15.
Article in English | MEDLINE | ID: mdl-35987082

ABSTRACT

Sulfonamide antibiotics (SAs) are widely used in medicine, animal husbandry and aquaculture, and excessive intake of SAs may pose potential toxicity to organisms. The toxicological mechanisms of two classical SAs, sulfamerazine (SMR) and sulfamethoxazole (SMT), were investigated by molecular docking, DFT and multi-spectroscopic techniques using HSA and BSA as model proteins. The quenching of HSA/BSA endogenous fluorescence by SMR was higher than that by SMT due to the stronger binding effect of the pyrimidine ring on HSA/BSA compared to the oxazole ring, and that result was consistent with that predicted by DFT calculations. Thermodynamic parameters show that the binding of SAs to HSA/BSA is an exothermic process that proceeds spontaneously (ΔG < 0). Marker competition experiments illustrate that the binding site of SMR/SMT on serum albumin is located in subdomain IIIA. The combination of SAs and HSA/BSA is mainly realized by hydrogen bond and hydrophobic interaction, and the concept is also supported by molecular modeling. The reduced α-helix content of HSA/BSA induced by SMR/SMT indicates a greater stretching of the protein α-helix structure of the SMR/SMT-HSA/BSA. The results could provide useful toxicological information on the hazards of SAs in response to growing concern that SAs may pose a toxic threat to organisms.


Subject(s)
Anti-Bacterial Agents , Sulfonamides , Animals , Anti-Bacterial Agents/toxicity , Binding Sites , Circular Dichroism , Density Functional Theory , Molecular Docking Simulation , Protein Binding , Serum Albumin, Bovine/chemistry , Spectrometry, Fluorescence , Sulfanilamide , Sulfonamides/toxicity , Thermodynamics
7.
Molecules ; 21(8)2016 Aug 05.
Article in English | MEDLINE | ID: mdl-27527138

ABSTRACT

Biothiols such as cysteine (Cys) and homocysteine (Hcy) are essential biomolecules participating in molecular and physiological processes in an organism. However, their selective detection remains challenging. In this study, ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate (NL) was synthesized as a ratiometric fluorescent probe for the rapid and selective detection of Cys and Hcy over glutathione (GSH) and other amino acids. The fluorescence intensity of the probe in the presence of Cys/Hcy increased about 3-fold at a concentration of 20 equiv. of the probe, compared with that in the absence of these chemicals in aqueous media. The limits of detection of the fluorescent assay were 0.911 µM and 0.828 µM of Cys and Hcy, respectively. ¹H-NMR and MS analyses indicated that an excited-state intramolecular proton transfer is the mechanism of fluorescence sensing. This ratiometric probe is structurally simple and highly selective. The results suggest that it has useful applications in analytical chemistry and diagnostics.


Subject(s)
Cysteine/analysis , Fluorescent Dyes/chemical synthesis , Homocysteine/analysis , Thiazoles/chemical synthesis , Fluorescent Dyes/pharmacology , Glutathione/chemistry , Humans , Kinetics , Molecular Probe Techniques , Spectrometry, Fluorescence , Thiazoles/pharmacology
8.
Molecules ; 21(10)2016 Oct 14.
Article in English | MEDLINE | ID: mdl-27754443

ABSTRACT

In the present study, 3-(fluorobenzylideneamino)-6-chloro-1-(3,3-dimethylbutanoyl)-phenyl-2,3-dihydroquinazolin-4(1H)-one (FDQL) derivatives have been designed and synthesized to study the interaction between fluorine substituted dihydroquinazoline derivatives with human serum albumin (HSA) using fluorescence, circular dichroism and Fourier transform infrared spectroscopy. The results indicated that the FDQL could bind to HSA, induce conformation and the secondary structure changes of HSA, and quench the intrinsic fluorescence of HSA through a static quenching mechanism. The thermodynamic parameters, ΔH, ΔS, and ΔG, calculated at different temperatures, revealed that the binding was through spontaneous and hydrophobic forces and thus played major roles in the association. Based on the number of binding sites, it was considered that one molecule of FDQL could bind to a single site of HSA. Site marker competition experiments indicated that the reactive site of HSA to FDQL mainly located in site II (subdomain IIIA). The substitution by fluorine in the benzene ring could increase the interactions between FDQL and HSA to some extent in the proper temperature range through hydrophobic effect, and the substitution at meta-position enhanced the affinity greater than that at para- and ortho-positions.


Subject(s)
Quinolones/chemical synthesis , Quinolones/pharmacology , Serum Albumin/chemistry , Serum Albumin/metabolism , Circular Dichroism , Humans , Hydrophobic and Hydrophilic Interactions , Models, Molecular , Protein Binding , Protein Structure, Secondary , Quinolones/chemistry , Spectrometry, Fluorescence , Spectroscopy, Fourier Transform Infrared , Thermodynamics
9.
Int J Biol Macromol ; 266(Pt 1): 131246, 2024 May.
Article in English | MEDLINE | ID: mdl-38554915

ABSTRACT

Excessive intake of benzaldehyde and its derivatives can cause irreversible damage to living organisms. Hence, benzaldehyde derivatives with different para-substitutions of push/pull electronic groups were chosen to investigate the effect of different substituent properties on the structure of human serum albumin (HSA). The binding constants, number of binding sites, major interaction forces, protein structural changes, and binding sites of benzaldehyde (BzH) and its derivatives (4-BzHD) with HSA in serum proteins were obtained based on multispectral and molecular docking techniques. The mechanism of BzH/4-BzHD interaction on HSA is mainly static quenching and is accompanied by the formation of a ground state complex. BzH/4-BzHD is bound to HSA in a 1:1 stoichiometric ratio. The interaction forces for the binding of BzH/4-BzHD to HSA are mainly hydrogen bonding and hydrophobic interaction, which are also accompanied by a small amount of electrostatic interactions. The effect of BzH/4-BzHD on HSA conformation follows: 4-Diethylaminobenzaldehyde (4-DBzH) > 4-Nitrobenzaldehyde (4-NBzH) > 4-Hydroxybenzaldehyde (4-HBzH) > 4-Acetaminobenzaldehyde (4-ABzH) > BzH, which means that the stronger push/pull electronic strength of the para-substituted benzaldehyde derivatives has a greater effect on HSA conformation. Furthermore, the concentration-lethality curves of different concentrations for BzH/4-BzHD on zebrafish verified above conclusion. This work provides a scientific basis for the risk assessment of benzaldehyde and its derivatives to the ecological environment and human health and for the environmental toxicological studies of benzaldehyde derivatives with different strengths of push/pull electron substitution.


Subject(s)
Benzaldehydes , Molecular Docking Simulation , Protein Binding , Serum Albumin, Human , Zebrafish , Benzaldehydes/chemistry , Animals , Serum Albumin, Human/chemistry , Humans , Binding Sites , Electrons , Protein Conformation , Hydrogen Bonding , Hydrophobic and Hydrophilic Interactions
10.
Spectrochim Acta A Mol Biomol Spectrosc ; 317: 124420, 2024 Sep 05.
Article in English | MEDLINE | ID: mdl-38728848

ABSTRACT

As common pollutants, Cu2+ and glyphosate pose a serious threat to human health and the ecosystem. Herein, a fluorescent probe (E)-7-(diethylamino)-N'(4-(diethylamino)-2-hydroxybenzyl)-2-oxo-2H chromophore-3-carbazide (DDHC) was designed and synthesised for the sequential recognition of Cu2+ and glyphosate. DDHC has the advantages of a short synthesis path, easy-to-obtain raw materials, good anti-interference ability, and strong stability. The interaction of the DDHC-Cu2+ complexes with glyphosate allows the amino and carboxyl groups in glyphosate molecules to coordinate with Cu2+ strongly, competing for the Cu2+ in the DDHC-Cu2+ complexes and releasing the DDHC, leading to the recovery of fluorescence. The recognition was further validated through Job's plot, HRMS, and DFT calculations. In addition, the successful recovery of Cu2+ and glyphosate in different environmental water samples fully demonstrates the practical application potential of DDHC. Especially, DDHC has low cytotoxicity and can enter zebrafish and HeLa cells, rapidly reacting with Cu2+ and glyphosate in the body, generating visible fluorescence quenching and recovery phenomena, achieving real-time visual monitoring of exogenous Cu2+ and glyphosate in zebrafish and HeLa cells. The targeting and dual selectivity of DDHC greatly enhance its potential application value in the field of detection, providing important theoretical support for studying the fate of multiple pollutants in the environment.


Subject(s)
Copper , Fluorescent Dyes , Glycine , Glyphosate , Zebrafish , Glycine/analogs & derivatives , Glycine/analysis , Glycine/chemistry , Copper/analysis , Copper/chemistry , Fluorescent Dyes/chemistry , Fluorescent Dyes/chemical synthesis , Humans , Animals , HeLa Cells , Spectrometry, Fluorescence/methods , Water Pollutants, Chemical/analysis , Herbicides/analysis , Density Functional Theory
11.
Ying Yong Sheng Tai Xue Bao ; 35(8): 2197-2205, 2024 Aug.
Article in English | MEDLINE | ID: mdl-39419805

ABSTRACT

Forests are one of the most important terrestrial ecosystems and play a crucial role in the construction of ecological civilization. Understanding the changes in gross ecosystem product (GEP) and its response to land use change in areas with unique advantages in forest resources is of great significance for promoting sustainable development. We examined the GEP of Zixi County of Jiangxi Province. Based on the theory and method of ecosystem value accounting, and on the basis of the general indicator system for regulating services (water source conservation, soil conservation, oxygen supply, carbon fixation, climate control, flood regulation, water purification, air cleaning, species conservation) and the general indicator system for cultural services (landscape recreation, education), we added negative oxygen ions and health care indicators and introduced forest ecosystem service correction coefficients to construct a GEP indicator system and method with unique advantages in forest resources. We evaluated the spatio-temporal variations of GEP in 2010, 2017 and 2020, and quantified the impact of land use/land cover change on GEP by means of elasticity index and value profit and loss analysis. The results showed that the GEP of Zixi County in 2010, 2017 and 2020 was 16.788 billion, 26.817 billion, and 38.407 billion yuan, respectively. Forests contri-buted the largest amount of GEP, followed by wetland, farmland, grassland, and town. During the study period, the added value of GEP mainly came from forest ecosystems. Land use change had an important impact on GEP. From 2010 to 2020, the total land use change area in the study area was 8501.88 hm2. The amplitude of land use change was grassland (-2811.17 hm2)>town (1428.06 hm2)>forest (1357.67 hm2)>wetland (1031.05 hm2)> farmland (-1005.01 hm2). The absolute changes of various land use types were mainly occurred from 2017 to 2020. The elasticity index of each indicator on forest ecosystems was significantly higher than that of other ecosystems, indicating that GEP had the highest sensitivity to changes in forest area. The results of value profit and loss analysis showed that urban development had reduced GEP to some extent, while the protection of forest and wetland had increased GEP. From 2010 to 2020, the conversion of land use types in Zixi County led to an increase of 1.865 billion yuan in GEP, indicating that land use change in Zixi County had a positive ecological impact on the whole. Our results reflect the green development effect of Zixi County after becoming a national ecological civilization construction demonstration county, which could provide decision-making support for high-quality development, high-level protection and sustainable development and utilization of land resources in the future, and provide reference for other similar areas of GEP accounting.


Subject(s)
Conservation of Natural Resources , Ecosystem , Forests , China , Grassland , Wetlands , Environmental Monitoring/methods , Trees/growth & development , Sustainable Development
12.
J Agric Food Chem ; 71(11): 4521-4535, 2023 Mar 22.
Article in English | MEDLINE | ID: mdl-36896464

ABSTRACT

Prothioconazole (PTC) has been widely utilized for plant fungal disease control, but its metabolite prothioconazole-desthio (PTC-d) exhibits reproductive toxicity. In the present study, carbon quantum dot (CQD)-modified fluorescent double-hollow shelled mesoporous silica nanoparticles (FL-MSNs) loaded with PTC, referred to as PTC@FL-MSNs, were constructed with an average size of 369 nm and a loading capacity of 28.1 wt %, which could increase the antifungal efficiency of PTC. In addition, upright fluorescence microscope and UPLC-MS/MS studies showed that PTC@FL-MSNs could be effectively transported via root uptake and foliar spray in soybean plants. Compared to a 30% PTC dispersible oil suspension agent, the PTC@FL-MSN treatment group showed higher concentrations (leaves: 0.50 > 0.48 mg/kg), longer half-lives for degradation (leaves: 3.62 > 3.21 d; roots: 3.39 > 2.82 d), and fewer metabolites. These findings suggest that sustained pesticide release and toxicity reduction are potential applications for PTC nanofungicide delivery technology.


Subject(s)
Glycine max , Nanoparticles , Silicon Dioxide , Chromatography, Liquid , Tandem Mass Spectrometry , Nanoparticles/metabolism , Porosity , Drug Carriers
13.
Sci Total Environ ; 874: 162460, 2023 May 20.
Article in English | MEDLINE | ID: mdl-36842597

ABSTRACT

Hg2+ poses a great threat to human health and the environment due to its bioaccumulation and permanent damage. Herein, a reversible CHEF-based near-infrared fluorescent probe 2-(3-((E)-4-((E)-4-(diethylamino)-2- hydroxybenzylidene)amino)styryl)-5,5-dimethylcyclohex-2-en-1-ylidene)propanedinitrile (DHEY) capable of specifically recognizing Hg2+ was constructed. DHEY exhibits advantages of large Stokes shift (157 nm), excellent selectivity, high sensitivity (LOD = 3.2 µg/L), and fast response efficiency (<3 min). Interestingly, DHEY can also realize rapid and effective detection of Hg2+ after being recycled 7 times. The successful recovery of trace Hg2+ in different environmental water samples fully demonstrates the potential of DHEY for actual applications. In particular, DHEY enables real-time observation of the distribution and translocation pattern of exogenous Hg2+ in HeLa cells and zebrafish. This work provides important theoretical support for investigating the fate of heavy metal ions in the environment using fluorescence techniques.


Subject(s)
Fluorescent Dyes , Mercury , Animals , Humans , HeLa Cells , Zebrafish , Microscopy, Fluorescence
14.
Int J Biol Macromol ; 240: 124541, 2023 Jun 15.
Article in English | MEDLINE | ID: mdl-37086758

ABSTRACT

As a typical chiral triazole fungicide, the enantioselective toxicity of prothioconazole to environmental organisms is of increasing concern. Herein, the binding mechanism of chiral PTCs to BSA was investigated by multi-spectral technique and molecular docking. Fluorescence titration and fluorescence lifetime experiments fully established that quenching BSA fluorescence by chiral PTCs is static quenching and could spontaneously bind to BSA. Hydrophobic interactions dominate the binding process of chiral PTCs to BSA. Differently, although both chiral PTCs and BSA have a primary binding site, the difference in chiral isomerism leads to a stronger binding ability of S-PTC than R-PTC. Both configurations of PTC can change the conformation of BSA and induce changes in the microenvironment around its amino acid residues, and the effect of S-PTC is more significant. Overall, S-PTC exhibited a more substantial effect on BSA structure relative to R-PTC. That is, S-PTC may lead to more potent potential toxicological effects on environmental organisms. This study provides a comprehensive assessment of the environmental behavior of chiral pesticides and their potential toxicity to environmental organisms at the molecular level and provides a theoretical basis for the screening of highly effective and biologically less toxic enantiomers of chiral pesticides.


Subject(s)
Pesticides , Serum Albumin, Bovine , Molecular Docking Simulation , Serum Albumin, Bovine/chemistry , Stereoisomerism , Binding Sites , Triazoles/toxicity , Triazoles/chemistry , Spectrometry, Fluorescence , Protein Binding , Thermodynamics
15.
Spectrochim Acta A Mol Biomol Spectrosc ; 280: 121499, 2022 Nov 05.
Article in English | MEDLINE | ID: mdl-35738109

ABSTRACT

Hydrazine (N2H4), an important chemical intermediate, has been widely used in industrial production and agricultural life, but it has also caused environmental pollution. A novel ESIPT-based fluorescent probe with dual recognition sites, 2-(benzothiazole-2-yl)-1,4-imphenyl bis 4-bromobutyric acid (BRBA), was developed to selectively detect N2H4 under complex conditions. BRBA exhibits accurate detection for N2H4 with a good linear relationship ranging from 0 to 150 µM, and the LOD can reach 0.1 µM. Importantly, taking advantage of low cytotoxicity and a large Stokes shift, BRBA can be utilized to monitor environmental water samples and successfully applied to imaging HeLa cells and zebrafish.


Subject(s)
Fluorescent Dyes , Zebrafish , Animals , HeLa Cells , Humans , Hydrazines , Spectrometry, Fluorescence , Water
16.
Environ Sci Pollut Res Int ; 29(56): 84762-84772, 2022 Dec.
Article in English | MEDLINE | ID: mdl-35789467

ABSTRACT

Pesticide residues have been a focus of attention of food safety. Different varietal pakchoi plants grown in open fields were studied to understand effects of morphology, leaf wax content, and vitamin C on the deposition, dissipation, and metabolism of chlorothalonil. The loose pakchoi plants and flat leaves were conducive to pesticide deposition, but not plants with erect leaves. Chlorothalonil on nine varieties of pakchoi dissipated in the first-order kinetic with T1/2 s of 1.4 ~ 2.0 days. Vitamin C in pakchoi could promote the dissipation of chlorothalonil. Carbendazim could significantly promote the dissipation of chlorothalonil on pakchoi. Interestingly, four metabolites of chlorothalonil were identified in the pakchoi and the metabolic pathway was predicted by DFT calculations. The risk assessment showed that pakchoi were safe for consumption after 10 days of application of the recommended dose. This work provides important information for the understanding of deposition, dissipation, and metabolism of chlorothalonil in pakchoi.


Subject(s)
Pesticide Residues , Pesticides , Ascorbic Acid , Nitriles/chemistry , Pesticide Residues/analysis , Plants/metabolism
17.
Front Bioeng Biotechnol ; 10: 937489, 2022.
Article in English | MEDLINE | ID: mdl-35774058

ABSTRACT

As an inorganic small molecule pollutant, the toxicity and potential carcinogenicity of hydrazine (N2H4) are of increasing concern. In this work, A water-soluble fluorescent probe (OCYB) based on the intramolecular charge transfer (ICT) mechanism for the detection of hydrazine was designed and synthesized. Taking the advantage of 4-bromobutyryl as the recognition group, the high selectivity of OCYB to N2H4 was confirmed by steady-state fluorescence spectroscopy. The limit of detection (LOD) was calculated to be 78 nM in the DMSO-HEPES (pH 7.4) system. The detection mechanism was verified by NMR, HRMS and density functional theory (DFT) calculations. In addition, OCYB exhibits strong anti-interference ability and an "Off-On" fluorescence enhancement effect. Importantly, OCYB can be used to effectively monitor the fluorescence distribution of N2H4 in environmental water samples and organisms.

18.
Sci Total Environ ; 798: 149237, 2021 Dec 01.
Article in English | MEDLINE | ID: mdl-34375255

ABSTRACT

The widespread use of neonicotinoid pesticides in agricultural production has caused pressure on the environment. In the present work, the interactions between humic acid (HA) and three neonicotinoid insecticides, dinotefuran, clothianidin and nitenpyram, were investigated by using multiple spectroscopy techniques combined with two-dimensional correlation spectroscopy analysis and density functional theory (DFT). Dinotefuran, clothianidin and nitenpyram could quench the endogenous fluorescence of HA through a static quenching process dominated by hydrogen bonds and van der Waals forces. According to the revised Stern-Volmer equation and DFT calculation, the binding abilities of the three pesticides with HA were ranked as dinotefuran < clothianidin < nitenpyram. The results of dynamic light scattering showed that neutral conditions were more conducive to the combination of HA and dinotefuran, clothianidin and nitenpyram. Through Fourier transform infrared spectroscopy (FTIR) combined with two-dimensional correlation analysis (2D-COS), the functional group with the strongest binding ability in the HA-dinotefuran, HA-clothianidin and HA-nitenpyram system was CH, CO and CO, respectively. The work will help to further understand the behavior of neonicotinoid pesticides in the environment.


Subject(s)
Insecticides , Pesticides , Density Functional Theory , Humic Substances , Neonicotinoids , Spectrum Analysis
19.
Sci Total Environ ; 759: 143102, 2021 Mar 10.
Article in English | MEDLINE | ID: mdl-33127121

ABSTRACT

Hydrazine (N2H4) is an environment pollutant with high acute toxicity and potential carcinogenicity, and detection of N2H4 has attracted increasing attention. In the present study, a low toxicity near-infrared fluorescent probe (DCDB) based on the intramolecular charge transfer (ICT) principle was developed. The probe DCDB exhibits excellent selectivity and high sensitivity (LOD = 1.27 ppb) for N2H4, fast reaction rate (5 min), extremely large Stokes shift (160 nm). The color transformation of the DCDB-N2H4 system from purple to pink can be observed with the naked eye. The success of N2H4 test strips to detect trace N2H4 in actual sewage strongly illustrates the practical application potential of DCDB. Importantly, DCDB can be utilized to monitor the distribution of exogenous N2H4 in vivo and in vitro.


Subject(s)
Fluorescent Dyes , Sewage , Hydrazines , Spectrometry, Fluorescence
20.
J Hazard Mater ; 406: 124767, 2021 03 15.
Article in English | MEDLINE | ID: mdl-33310335

ABSTRACT

Iron is one of the essential trace elements in the human body, which is involved in many important physiological processes of life. The abnormal amount of iron in the body will bring many diseases. Therefore, a novel near-infrared fluorimetric method was developed. The method is based on a fluorescent probe (E)-4-(2-(3-(dicyanomethylene)-5,5-dimethylcyclohex-1-en-1-yl)vinyl)-N, N-diethylaniline oxide (DDED) which uses N-oxide as a recognition group to real-time monitoring and imaging of Fe2+ in vivo and in vitro. The method exhibits excellent selectivity and high sensitivity (LOD = 27 nM) for Fe2+, fast reaction rate (< 4 min), extremely large Stokes shift (> 275 nm), low cytotoxicity. The strip test strongly illustrates the potential application of DDED in real environment. In particular, DDED has been successfully applied to real-time monitoring and imaging of Fe2+ in HepG2 cells and zebrafish. That is, the method has great potential for the detection of Fe2+ in living systems.


Subject(s)
Point-of-Care Systems , Zebrafish , Animals , Fluorescent Dyes , Fluorometry , HeLa Cells , Humans , Spectrometry, Fluorescence
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