Molecular Classification of Pesticides Including Persistent Organic Pollutants, Phenylurea and Sulphonylurea Herbicides

Abstract

Pesticide residues in wine were analyzed by liquid chromatography-tandem mass spectrometry. Retentions are modelled by structure-property relationships. Bioplastic evolution is an evolutionary perspective conjugating effect of acquired characters and evolutionary indeterminacy-morphological determination-natural selection principles; its application to design co-ordination index barely improves correlations. Fractal dimensions and partition coefficient differentiate pesticides. Classification algorithms are based on information entropy and its production. Pesticides allow a structural classification by nonplanarity, and number of O, S, N and Cl atoms and cycles; different behaviours depend on number of cycles. The novelty of the approach is that the structural parameters are related to retentions. Classification algorithms are based on information entropy. When applying procedures to moderate-sized sets, excessive results appear compatible with data suffering a combinatorial explosion. However, equipartition conjecture selects criterion resulting from classification between hierarchical trees. Information entropy permits classifying compounds agreeing with principal component analyses. Periodic classification shows that pesticides in the same group present similar properties; those also in equal period, maximum resemblance. The advantage of the classification is to predict the retentions for molecules not included in the categorization. Classification extends to phenyl/sulphonylureas and the application will be to predict their retentions.

Modes of Action of Different Classes of Herbicides

“…Herbicides are classified based upon different aspects, such as mode of action, site of action, chemical families, time of application, selectivity, translocation, etc. [24][25][26]. It is important to note here that even a particular herbicide-resistant weed could be susceptible to a specific herbicide provided the amount and the rate of application are appropriate.…”

“…The selectivity or nonselectivity of herbicides depends upon various factors, such as plant physi-ology, soil topography, environment, timing of application, rate of application, and application technique [26]. The classification of herbicides is equally important for managing and understanding herbicide resistance, which continues to be a problem in sustainable agricultural management [24,25]. The overuse of herbicides, just like other pesticides such as insecticides, may lead to increased development of resistance among plants, causing injury and destruction of useful plants in both agriculture and land management [6].…”

Targeting Amide Herbicides by KARI of Staphylococcus aureus- an in silico Analysis

“…Supported the mode of action, it should target an enzyme or a metabolic pathway of a plant that the herbicide may work, either injuring or disrupting the plant growth and development and eventually leading to the death of the plant. [37][38][39] Efficacy of herbicides is related to an imbalance in carbon-nitrogen after comparing the physiological consequences of inhibitors of consecutive enzymes in the biosynthesis of branched-chain amino acids, acetolactate synthase (ALS), and ketolacid reductoisomerase (KARI). 40 Free natural compound accumulation brought on via way of means of herbicides in wild-kind vegetation turned into alleviated in the mutants, indicating that vegetation that lack ADH1 or AOX1a are much less liable to the herbicides` phytotoxicity.…”

QSRP Prediction of Retention Times of Chlorogenic Acids in Coffee by Bioplastic Evolution

“…In earlier publications, SCAP was applied for partition coefficients of porphyrins, phthalocyanines, benzobisthiazoles, fullerenes, acetanilides, local anesthetics [27], lysozyme [28], barbiturates, hydrocarbons [29], polystyrene [30], Fe-S proteins [31], C-nanotubes [32] and D-glucopyranoses [33]. Bioplastic evolution was applied to phenylalcohols, 4-alkylanilines [34], valence-isoelectronic series of aromatics [35], phenylurea herbicides [36,37], pesticides [38,39], methylxanthines and cotinine [40,41]. Quantitative structure-activity/property relationships (QSARs/QSPRs) were applied to isoflavonoids [42] and sesquiterpene lactones [43].…”