Properties Of Pesticides Research Articles

Endocrine-disrupting chemicals – pesticide regulatory issues from the EU perspective

Endocrine-disrupting chemicals (EDCs), including substances used in plant protection products (PPPs), are a source of ongoing concern for the EU society. Under the EC Regulation 1107/2009, the endocrine-disrupting (ED) properties of active substances, safeners, and synergists used in PPPs shall be investigated. The scientific criteria established by the Regulation (EU) 2018/605 and the joint guidance of the European Chemicals Agency (ECHA)/European Food Safety Authority (EFSA) provide the basis for this assessment. Data requirements for the approval of safeners and synergists have been recently published in Commission Regulation (EU) 2024/1487, allowing a consistent assessment of these substances. The approach to assessing co-formulant hazards is currently a subject of EU-wide discussion. It outlines the necessity to take into account information or evaluation data from other than pesticides' EU regulatory frameworks, such as REACH or SCCS applications for cosmetic ingredients. This paper outlines: a) current EU approach applied for identification of endocrine disrupting properties of pesticides; b) issues related to European regulations that may have an indirect impact on the safe use of plant protection products and c) an analysis of the European Commission's activities aimed to limit exposure to EDCs associated with use of PPPs in the society.

A hapten design strategy to enhance the selectivity of monoclonal antibodies against malachite green

Malachite green (MG), a triphenylmethane dye, is used in the aquaculture industry as a disinfectant and insect repellent due to its potent bactericidal and pesticidal properties. However, its use poses potential environmental and health risks. This study analyzed and designed two haptens using computer simulation. Serum data confirmed the feasibility of introducing an arm at the dimethylamine group. Subsequently, a highly selective monoclonal antibody strain was successfully prepared based on the hapten. After optimizing the working conditions of indirect competitive enzyme-linked immunosorbent assay (IC-ELISA), the IC50 value was 0.83 ng/mL, with a detection limit (IC10) of 0.08 ng/mL and a linear range of 0.19–3.52 ng/mL. The developed monoclonal antibody exhibited a crossover rate of less than 0.1% with other similar structures and can be used to establish an immunoassay.

The Ecotoxicity of Pesticides Used in Conventional Apple and Grapevine Production in Austria Is Much Higher for Honeybees, Birds and Earthworms than Nature-Based Substances Used in Organic Production

It is debated whether the ecotoxicity of active substances (ASs) contained in synthetic pesticides applied in conventional agriculture (conASs) differs from nature-based ASs used in organic agriculture (orgASs). Using the official pesticide use statistics, we evaluated the ecotoxicity of ASs used in apple and grapevine production in Austria. In 2022, 49 conASs and 21 orgASs were authorized for apple production and 60 conASs and 23 orgASs were authorized for grapevine production in Austria. Based on the latest publicly available data on the actual use of pesticides in apple and grapevine production (from the year 2017), we evaluated their ecotoxicity based on information in the freely accessible Pesticide Properties and Bio-Pesticides Databases. The results showed that although the amount of ASs applied per hectare of field was higher in organic farming, the intrinsic toxicities of ASs used in conventional farming were much higher. The number of lethal toxic doses (LD50) of ASs applied in conventional apple orchards was 645%, 15%, and 6011% higher for honeybees, birds, and earthworms, respectively, than in organic apple production. In conventional vineyards, lethal doses for honeybees, birds, and earthworms were 300%, 129%, and 299% higher than in organic vineyards. We conclude that promoting organic farming would therefore contribute to the better protection of biodiversity on agricultural land and beyond.

Ecotoxicological risk assessment of active pharmaceutical ingredients (APIs) against different aquatic species leveraging intelligent consensus prediction and i-QSTTR modeling

The increasing presence of active pharmaceutical ingredients (APIs) in aquatic ecosystems, driven by widespread human use, poses significant risks, including acute and chronic toxicity to aquatic species. However, the scarcity of experimental toxicity data on APIs and related compounds due to the high costs, time requirements, and ethical concerns associated with animal testing hinders comprehensive risk assessment. In response, we developed quantitative structure-toxicity relationship (QSTR) and interspecies quantitative structure toxicity-toxicity relationship (i-QSTTR) models for three key aquatic species: zebrafish, water fleas, and green algae, using NOEC as an endpoint, following OECD guidelines. Algae, daphnia, and fish, recognized as standard organisms in toxicity testing, are crucial bio-indicators due to their size, transparency, adaptability, and regulatory acceptance. We used partial least squares (PLS) and multiple linear regression (MLR) methods for model development alongside machine learning techniques such as Random Forest (RF), Support Vector Machines (SVM), K-nearest Neighbor (kNN), and Neural Networks (NN) to enhance the predictivity. Lipophilicity, electronegativity, unsaturation, a molecular cyclized degree in molecular structure, large fragments, aliphatic secondary C(sp2), and R–CR–R groups were identified as critical biomarkers for API toxicity. Screening of the PPDB (pesticide properties databases) and DrugBank validated the practical application of these models, offering valuable tools for regulatory decisions, safer API design, and the preservation of aquatic biodiversity.

Applications of Plant Essential Oils in Pest Control and Their Encapsulation for Controlled Release: A Review

Essential oils (EOs) are volatile products derived from the secondary metabolism of plants with antioxidant, antimicrobial, and pesticidal properties. They have traditionally been used in medicine, cosmetics, and food additives. In agriculture, EOs stand out as natural alternatives for pest control, as they show biocidal, repellent, and antifeedant effects. However, they are highly volatile compounds and susceptible to oxidation, which has limited their use as pesticides. This has led to exploring micro- and nano-scale encapsulation to protect these compounds, improving their stability and allowing for a controlled release. Various encapsulation techniques exist, such as emulsification, ionic gelation, and complex coacervation. Nanoemulsions are useful in the food industry, while ionic gelation and complex coacervation offer high encapsulation efficiency. Materials such as chitosan, gelatin-gum-Arabic, and cyclodextrins are promising for agricultural applications, providing stability and the controlled release of EOs. Encapsulation technology is still under development but offers sustainable alternatives to conventional agrochemicals. This article reviews the potential of EOs in pest management and encapsulation techniques that enhance their efficacy.

Insides into molecular structural elucidation on the pesticidal and herbicidal potency of AD biogas slurry

Biogas slurry is the residue liquid after anaerobic fermentation of biomass. The bio-slurry has the potential to promote plant growth and control pests. This study explores the pesticidal potency of anaerobic digestate focusing on structural elucidation through gas chromatography–mass spectrometry analysis. Samples were collected from three anaerobic digesters processing cow dung, mixed substrates, and pig waste. Physicochemical parameters such as pH, electrical conductivity, total dissolved solids, and nitrogen content were measured. The slurries exhibited slightly basic pH values (7.5–7.8) and electrical conductivity (13.8–21.9 mS/m). GC–MS analysis revealed diverse phytochemical compounds in the bio-slurries, such as gramine, 2,2-dimethoxybutane, and 4-methyl-3-penten-2-one, with potential pesticidal properties. Gramine exhibited insecticidal, herbicidal, and algaecidal effects, while 2,2-dimethoxyethane demonstrated fungicidal and herbicidal properties. Gramine was identified and possesses its potential as a natural biopesticide. The identified compounds offer promising alternatives to synthetic pesticides, emphasizing the potential of biogas slurry as a sustainable biopesticide resource.

Transfer of pesticides and metabolites in corn: Production, processing, and livestock dietary burden

Corn stover is widely used in livestock feed but has received limited attention regarding its potential risks. In this study, pesticide residues were monitored across 12 provinces in China, and terminal residues of four pesticides, chlorantraniliprole, thiamethoxam, epoxiconazole, and pyraclostrobin, were tested. In addition, the silage processing experiment was conducted. All processing factors (PF) were <1, indicating pesticide degradation. The physicochemical properties of pesticides, especially log P, were related to degradation efficiency. Pesticides with higher log P values showed higher PFs (0.43 to 0.85), indicating lower degradation efficiency. The dietary burden of livestock before and after silage processing was calculated using OECD livestock dietary burden calculator. Results showed that after silage fermentation, the dietary burden was reduced by 28.8 % to 79.2 %. Throughout the entire production and processing process, the fastest degradation of all pesticides in whole corn was primarily observed from the pesticide application time to the harvest time, with some pesticides also showing accelerated degradation during subsequent processing stages. Therefore, in actual production, especially for pesticides which are difficult to degrade, appropriate extension of the safety interval or selection of suitable processing methods can be taken to further reduce pesticide residues in agricultural products.

Evaluation of Larvicidal Properties of Zingiber officinale Rhizome and Allium Sativum Bulbs against Aedes aegypti

This study evaluates the larvicidal potential of methanolic extracts derived from Zingiber officinale (ginger) rhizome and Allium sativum (garlic) bulbs against the 4th instar larvae of Aedes aegypti, a key vector responsible for transmitting diseases such as dengue, yellow fever, chikungunya, and Zika. Due to the increasing resistance of mosquitoes to conventional insecticides, there is a pressing need for alternative, eco-friendly vector control methods. Botanical extracts, known for their pesticidal properties, offer a promising solution. Methanolic extracts were collected from the selected test plant parts and different test solutions were prepared to test their larvicidal efficacy against the fourth instar larvae of Ae. aegypti. The results indicated a significant dose-dependent increase in larval mortality for both extracts. The extracts of Z. officinale consistently showed better larvicidal effects than outperformed the extracts of A. sativum at all tested concentrations, with mortality rates ranging from 14.29% at 62.5 ppm to 79.22% at 500 ppm. In contrast, A. sativum exhibited mortality rates from 11.69% at 62.5 ppm to 76.62% at 500 ppm. The LC50 values further highlighted the greater efficacy of ginger extract, with an LC50 of 219.10 ppm compared to 237.39 ppm for garlic. These results suggest the usage of extracts of ginger rhizomes and garlic bulbs as eco-friendly larvicides against Ae. aegypti mosquitoes.

Unveiling responses and mechanisms of spice crop chive exposure to three typical pesticides using metabolomics combined with transcriptomics, physiology and biochemistry

Pesticides are frequently used to control target pests in the production of spice crops such as chives (Allium ascalonicum). However, little information is available on the responses and underlying mechanisms of pesticide exposure in this crop. Our findings revealed that the uptake, transportation, and subcellular distribution of three typical pesticides—the fungicide pyraclostrobin (PAL), insecticide acetamiprid (ATP), and herbicide pendimethalin (PND) in chives, as well as their physiological, biochemical, metabolic, and transcriptomic responses—were dependent on pesticide properties, especially hydrophobicity. The distribution of PAL and PND in chives decreased in the order root > stem > leaf, but the distribution order of ATP was the opposite. The proportion of PAL and PND in the solid phase of the root cells gradually increased, but ATP mainly existed in the cell-soluble component, indicating that the latter had an upward translocation ability and thus mainly accumulated in the leaves. Malondialdehyde levels in chive leaves were not significantly affected by exposure to these pesticides; however, the activities of superoxide dismutase (SOD) and catalase (CAT) in chive leaves increased significantly. Moreover, these pesticides exhibited critical differences in chive responses through the interaction of metabolites and regulation of differentially expressed genes. PAL dramatically influenced five carbohydrate metabolic pathways (34.35 %), disturbing the starch-to-sucrose balance. ATP strongly affected five amino acid (AC) metabolic pathways (33.38 %), enhancing four free amino acid levels. PND notably affected eight fatty acid (FA) metabolic pathways (25.38 %), increasing two unsaturated and decreasing one saturated FA. Simultaneously, PND, ATP, and PND accumulated in the chives could be detoxified through metabolic pathways mediated by cytochrome P450 (P450) and glycosyltransferase (GT)/glutathione S-transferase (GST), producing phase I (7, 4, and 5) and II (11, 13, and 10) metabolites, respectively. This study provides important molecular insights into the responses and underlying mechanisms of spice crop exposure to pesticides.

First report on regression-based QSAR addressing pesticide dissipation half-life in plants: A step towards sustainable public health

The excessive use of pesticides (an important group of chemicals) in the agricultural as well as public sectors raises a health concern. Pesticides affect humans and other living organisms via the food chain. Therefore, it is very necessary to calculate the dissipation half-life of pesticides in plants. Experimental prediction of pesticide dissipation half-lives requires complex environmental conditions, high cost, and a long time. Thus, in-silico half-life predictions are suitable and the best alternative. Herein, a total of six PLS (partial least squares) models namely, M1 (overall), M2 (fruit), M3 (plant interior), M4 (leaf), M5 (plant surface), and M6 (whole plant) alongside two MLR (multiple linear regression) models i.e. M7 (fruit surface) and model M8 (straw) were generated using dissipation half-lives (log10(T1/2)) of pesticides in plants and their different parts. Models were constructed in strict accordance with the guidelines outlined by the Organization for Economic Co-operation and Development (OECD) and extensively validated using globally accepted validation metrics (determination coefficient (R2) = 0.610–0.795, leave-one-out (LOO) cross-validated correlation coefficient (Q2LOO) = 0.520–0.660, MAE-FITTED TRAIN (mean absolute error fitted train) = 0.119–0.148, MAE-LOOTRAIN = 0.132–0.177, predictive R2 or Q2F1 = 0.538–0.567, Q2F2 = 0.500–0.565, MAETEST = 0.122–0.232), confirming their accuracy, reliability, predictivity, and robustness. Lipophilicity, the presence of a cyclomatic ring, suphur, aromatic amine fragments, and chlorine atom fragments are responsible (+ve contribution) for high dissipation half-lives of pesticides in plants. In contrast, hydrophilicity, pyrazine fragments, and rotatable bonds reduce (−ve negative contribution) the dissipation half-lives of pesticides in plants. To address the real-world applicability, the models were employed to screen the PPDB (Pesticide Properties Database) database, which revealed the top 10 pesticides with the highest log(T1/2) in the whole plant and respective parts of the plant body. The present work will aid in developing safer and novel pesticides, regulatory risk assessment, various risk assessments for the sustenance of public health, screening of databases, and data-gap filling.

Bioaccumulation of Deltamethrin and Piperonyl butoxide in Labeo rohita fish

Deltamethrin (DLM), in combination with the synergist piperonyl butoxide (PBO), is extensively used in pest control programs due to its potent pesticidal properties and appreciable safety margin. However, various research studies report their adverse effects on non-target organisms. In this study, we investigated the toxicity of DLM, PBO, and a DLM-PBO (3:1) combination on Labeo rohita (L. rohita) fish fingerlings. Fish behavior and mortality rates were recorded at different time intervals up to 96 h for concentrations of 0.003, 0.007, 0.015, 0.031, and 0.062 µg/mL, respectively. Biochemical, hematological, and histopathological studies were carried out. High-performance liquid chromatography (HPLC) was used to detect and quantify residues in fish samples. The LC50 values after 48 h for DLM, PBO, and DLM-PBO exposed fish fingerlings were found to be 0.028, 0.066, and 0.007 µg/mL, respectively. At a concentration of 0.003 µg/mL of DLM, PBO, and DLM-PBO, the treated fish fingerlings exhibited similar behavior to the control group. Hematological parameters, such as red blood cell (RBC) and white blood cell (WBC) counts, were reduced in the treated groups compared to the control. Biochemical parameters showed increased levels of alanine aminotransferase (ALT) and aspartate aminotransferase (AST), while total serum protein levels decreased in DLM, PBO, and DLM-PBO treated fingerlings. Histopathological examination of liver, gill, and heart tissues revealed lesions with hydropic degeneration in the liver and fusions of gill lamellae in the treated tissues. Fish fingerlings exposed to the DLM-PBO combination appeared highly prone to toxicity compared to those treated with DLM and PBO separately.

Effect of Storage Duration on the Insecticidal Activity of Neem (&amp;lt;i&amp;gt;Azadirachta indica&amp;lt;/i&amp;gt;) Seeds Against Fall Armyworm (&amp;lt;i&amp;gt;Spodoptera frugiperda&amp;lt;/i&amp;gt;)

Neem (&amp;lt;i&amp;gt;Azadirachta indica&amp;lt;/i&amp;gt;), native to India, thrives in tropical and sub-tropical climates. Its efficacy against economically significant pests is attributed to the pesticidal properties found in its leaves, bark, and roots. Neem seeds are always harvested by smallholder farmers and stored for use in crop-growing seasons when their availability is scarce. This study aimed to determine if storage duration can affect the toxicity of these neem seeds. Neem seed extracts were tested for toxicity after being stored at different durations, they were stored for 1-3 years. The objective of this study was to analyze the effects of storage time on the insecticidal activity of neem seeds. Fall armyworm larvae were used to test for the neem seed extracts’ toxicity by feeding on maize plants which were sprayed with these extracts. The experimental design used was a complete randomized design in the laboratory. Extracts were made from neem seeds stored for 1-3 years which were harvested from year 2019, 2020, 2021 and 2022. Analysis of FAW larvae mortality at different concentrations (0.5%, 1.0%, 1.5%, and 2.0%) together with the control treatment under laboratory conditions was done. Damage severity rates of maize leaves in which the FAW larvae were allowed to feed were measured and FAW larvae mortality was calculated. The results showed a significant interaction between neem seed storage time and FAW mortality. The results showed that extracts from fresh neem seeds and those stored for one year had the lowest plant damage score. Also, the lowest mortality was obtained from seeds stored for 1 year and the fresh seeds because the larvae refrained from feeding. Following this study, we recommend the usage of fresh neem seeds and those stored for up to a year in the management of fall armyworms.

Modeling the impact of pesticide drift deposition on off-field non-target receptors

Pesticide application can result in residue drift deposition in off-field areas, which can be harmful to non-target organisms inhabiting adjacent off-field environments. In order to comprehend the impact of pesticide drift deposition on off-field non-target organisms, an integrated modeling approach was incorporated into the life cycle analysis perspective for the assessment of their exposure to pesticide residues and the characterization of their human toxicity and ecotoxicity potentials. The modeling assumption comprises four modeling scenarios: children & cattle & sensitive crops (tomatoes) based on exposure assessment, and the continent-scale human health toxicity & ecotoxicity under a life cycle analysis perspective. The simulation results for the nearby off-field exposure scenario revealed that pesticide dissipation kinetics in environments and drift deposition type were two important factors influencing non-target organisms' exposure to pesticide residues deposited in off-field environments. The continental scenario simulated via USEtox revealed that considering off-field drift deposition resulted in lower simulated human toxicity potentials of pesticides when compared to simulation results that did not consider drift deposition, given that pesticide residues remaining within the treated field contributed the most to overall human exposure. Taking drift deposition into account, on the other hand, could result in higher or lower simulated ecotoxicity potentials of pesticides than not taking drift deposition in off-field areas into account, depending on the physicochemical properties of pesticides. The proposed modeling approach, which is adaptable to drift deposition types and chemical species, can aid in investigating the off-field impacts of pesticide residues. Future research will incorporate spatiotemporal factors to characterize region-specific drift deposition functions and pesticide fate in off-field environments to conduct site-specific impact assessments.

Integrated developmental and green social work field education to control fall armyworm Infestation in maize crops in Malawi

In Malawi, fall armyworm (FAW) infestation in maize crops is a problem of public importance as it reduces maize yields and exacerbates household food insecurity. In addition to pest resistance, the use of synthetic pesticides to control FAW negatively affects the health of farmers and the environment. Biochemical pesticides from plants contain naturally non-toxic chemotypes and are effective in controlling pests. Tephrosia vogelii plants contain these bioactive phytocompounds that have pesticidal properties. Geographical location and plant species influence the occurrence of phytocompounds in Tephrosia vogelii. Farmers in Sub Sahara-Africa are using Tephrosia vogelii as a pesticide but there are mixed research findings regarding its effectiveness in controlling FAW pests. This study was informed by developmental and Green Social Work frameworks to compare the effectiveness of Tephrosia vogelii leaves extracts, Belt 480 SC, and soap solution in controlling FAW in maize gardens. The study employed a randomized complete block design with four replication gardens and was conducted from November 2022 to March 2023. A social work field education student was assigned to coordinate the project. The study affirmed that the sampled Tephrosia vogelii leaf extracts contained pesticidal chemotypes. The results of field gardens suggest that Tephrosia vogelii leaf extracts have similar potency to Belt SC 480 chemical pesticide. It has been identified that Boom detergent soap is not as effective as Tephrosia vogelii leaf extracts. The study has social work field education implications for empowering practicum students to gain community mobilization skillsets, to participate in environmental justice advocacy, and to uphold social work values.

Theoretical Study of Structural and Electronic Trends of the Sulfonylurea Herbicides Family.

The sulfonylurea herbicide family has been extensively studied using computational techniques. The most stable conformer structures of the 34 molecules analyzed in gaseous, aqueous, and octanol phases have been determined. The study employed CREST conformational search methods along with the CENSO script to explore all possible conformational structures. Additional evaluations conducted at the B3LYP-D3/6-311+G(d,p) level have enabled the identification of intramolecular stability patterns across the various compounds. It has been discovered that stability is primarily determined by two factors: intramolecular hydrogen bonding involving an NH group adjacent to the sulfonyl group with either N donors or the nearby carbonyl group and potential π-π interactions between the aromatic rings of the molecules. These have been characterized through QTAIM and NCI population analyses. Furthermore, with the goal of developing predictive models for the physicochemical properties of pesticides that include the sulfonylurea family, a statistical analysis among the different properties of the studied molecules has been conducted. Significant correlations have been found between various properties, predicting a promising future for the prediction of characteristics that could assist laboratories in selecting among different pesticides.

Copperized Karanj Seed (Pongamia pinnata) Oil as an Alternative to Chemical Preservative in Plywood Manufacturing

Most chemicals used in wood preservation are toxic to the environment. Use of synthetic preservatives are highly prevalent in plywood manufacture. Wood, which is the basic raw material for plywood manufacture, being ligno-cellulosic material is liable to degradation due to microbiological organisms and other biological wood destroying organisms causing significant loss. Therefore, it is necessary to develop an alternate naturally available preservative which will be effective for plywood manufacture. Karanj or Pongamia pinnata is known for its anti-fungal and pesticide properties that make it an ideal material as wood preservative. Therefore, an attempt was made to develop an eco-friendly green preservative using naturally available plant resources with high toxicity to wood destroying organisms and low toxicity to humans. Copper was incorporated into Karanj seed extractive and 12mm thick plywood samples were prepared at different concentrations 0.5% to 5% of preservative which were subjected to tests for efficacy study and mechanical properties as per Indian Standards. From the results obtained in this study, it can be concluded that 3% concentration of the preservative can be utilized in plywood manufacture which can resist against wood borers and termites. Concentration above 3% of the preservative interfere with the bonding properties of the resin and significantly reduces glue shear strength.

Analysis of cleaning water used in the wine industry: Part I – Pesticide selection

The use of water in wineries is widespread and reaches its peak during the harvest of the vineyard, when it is used to clean and disinfect barrels, tanks, pipes, tools, for pushing the product and dragging the grape juice, for preparing fermentations, and so on. In this sense, according to the European Directive 2020/2184, pesticides in supply water must be analysed to avoid possible contamination in wines. Due to the lack of data on the number of or the pesticides to be analysed in water as required by this Directive, the aim of this work was to select the pesticides to be analysed on the basis of a risk assessment methodology. Information on pesticide water solubility, pesticide water persistence and pesticide oral lethal dose from Pesticide Properties Database was used to build a logistic regression model to predict risk. The pesticides listed in the EURL database for grapes and the information from the pesticides used in the different Spanish Designations of Origin (DOCa) were applied to the logistic regression model. The results obtained showed that only the 25 % of the pesticides pose a high risk and that only the 5 % of these pesticides are used in the different DOCa studied.

Sorption and mobility assessment of tembotrione in soils of upper, trans and middle Gangetic plain zones of India.

The presence of undesired agrochemicals residues in soil and water poses risks to both human health and the environment. The behavior of pesticides in soil depends both on the physico-chemical properties of pesticides and soil type. This study examined the adsorption-desorption and leaching behavior of the maize herbicide tembotrione in soils of the upper (UGPZ), trans (TGPZ) and middle Gangetic plain zones of India. Soil samples were extracted using acetone followed by partitioning with dichloromethane, whereas liquid-liquid extraction using dichloromethane was used for aqueous samples. Residues of tembotrione and its metabolite TCMBA, {2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl] benzoic acid}, were quantified using liquid chromatography-tandem mass spectrometry. The data revealed that tembotrione adsorption decreased with increasing pH and dissolved organic matter but increased with salinity. The maximum adsorption occurred at pH4, 0.01m sodium citrate and 4g/L NaCl, with corresponding Freundlich constants of 1.83, 2.28 and 3.32, respectively. The hysteresis index <1 indicated faster adsorption than desorption. Leaching studies under different flow conditions revealed least mobility in UGPZ soil and high mobility in TGPZ soil, consistent with groundwater ubiquity scores of 4.27 and 4.81, respectively. Soil amendments decreased tembotrione mobility in the order: unamended > wheat straw ash > wheat straw > farm yard manure > compost. The transformation of tembotrione to TCMBA and its mobility in soil columns were also assessed.

Exploration of therapeutic potential and pesticidal activity of Sapindus mukorossi by In vitro and Insilico profiling of phytochemicals

Sapindus mukorossi popularly known as soap nuts, belongs to the Sapindaceae family and contains 6–10 % of its weight in saponins. These natural soap-nuts have been used for centuries as a natural and eco-friendly alternative to conventional laundry detergents and cleaning products as it is rich in saponin and can be composted after use. The aim of this research is to study the potential of natural extracts from soap nuts using in vitro and insilico profiling of phytochemicals. Soxhlet extraction was performed to obtain the phytochemicals from the plant species. Phytochemical analysis, quantitative analysis, antioxidant assay, and foaming tests were carried out to check the presence of various phytochemicals along with their antioxidant properties. Insilico analysis to analyze their molecular structure and compounds to check their drug-likeness and pesticidal properties were performed using PASS studies and SwissADME webtool for finding new applications of soap nut which are still unrevealed. The results confirmed the presence of saponins, terpenoids, flavanoids and alkaloids. The foaming stability was also found to be 90 % which was equivalent to commercial detergents. The total saponin and phenol in extract was quantified as 139.263 ± 1.40 mg QAEs/g extract and 271.153±1.23 mg GAE/g extract respectively. The antioxidant property was estimated to be 109.691 ± 1.87 µmolTE/g DW. Characterization was done using FTIR and GCMS and based on the results the major compounds were analyzed using insilico PASS studies which revealed various beneficial properties of soap nuts like anti bacterial, insecticidal, anti helminthic etc. Moreover The physiochemical properties, lipophilicity and solubility characteristics of the plant compounds analyzed using SwissADME web tool revealed the therapeutic benefits of S. mukorossi.

Comprehensive ecotoxicological assessment of pesticides on multiple avian species: Employing quantitative structure-toxicity relationship (QSTR) modeling and read-across

The rapid increase in the use of pesticides is driven by the growing demand in the agricultural sector. However, the widespread application of these pesticides and their inherent toxicity have significant repercussions on the ecosystem, particularly impacting animal and bird species. In this present study, we have developed four 2D quantitative structure-toxicity relationships (QSTRs) models for four different avian species using the largest number of available experimental data points to date employing the partial least squares (PLS) algorithm. Furthermore, we have also performed the read-across algorithm to improve the test set results. Based on the information derived from the models, it was found that hydrophilic characteristics, the presence of molecular branching and thio imide groups impact negatively to the pesticide toxicity, while the presence of phosphate group, presence of halogens viz. chlorine and bromine atoms, presence of hetero atoms, high molecular weight, presence of bridgehead atoms, presence of secondary aliphatic amide and fragments like RCONHR escalates avian toxicity. The developed QSTR models were further employed to predict the Pesticide Properties DataBase (PPDB) for all four avian species as a measure of data gap-filling and risk assessment. Thus, the developed models can be utilized for eco-toxicological data-gap filling, prediction of toxicity of untested pesticides as well as the development of novel and safe environmental-friendly pesticides.