Three dimensional structure prediction and proton nuclear magnetic resonance analysis of toxic pesticides in human blood plasma

Sharma, Amit; Tiwari, R.K.; Gaur, M. S.

doi:10.7555/jbr.26.20110132

Cited by 5 publications

(5 citation statements)

References 35 publications

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“…In terms of toxic effects, both of these compounds have the potential to become environmental toxins, but o-cumenol does not. According to Sharma et al [23] research, increasing functional groups causes increased toxicity. Idroxylgroup molecules are more responsive, which is an important identification throughout the process.…”

Section: Qsar Results For Isoprocarb and Metabolite Productsmentioning

confidence: 99%

“…Idroxylgroup molecules are more responsive, which is an important identification throughout the process. Sharma et al [23] identified hydrolysis as a dangerous insecticide.…”

Section: Qsar Results For Isoprocarb and Metabolite Productsmentioning

confidence: 99%

“…In contrast, the o-cumenol structure is shown in Figure 2(b). 1 H-NMR spectra were used to analyze more complex samples containing residue pesticide [21,22,23]. 1 H-NMR identification confirmed the formation of a new compound, indicating the formation of new or higher peaks around the chemical shift (δ) 1-3 ppm.…”

Section: H-nmr Spectramentioning

confidence: 99%

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Metabolite Formation of Pesticide Isoprocarb in Coffee Beans During Short-Term Storage and Condition

Nainggolan,

Saefumillah,

Saefudin

et al. 2024

J. Kim. Sains Apl.

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Isoprocarb (IPC) is one of the most important carbamate pesticides for white flea control in coffee plants. The prevalence of isoprocarb pesticide residues in coffee, i.e., green coffee beans, is a cause for concern. Green coffee beans were intentionally contaminated with isoprocarb at concentrations >0.01 mg/kg, which was investigated in this research. Quantitative analysis of isoprocarb with the QuEChERS method and qualitative analysis for metabolite formation was characterized using UV-Vis, FTIR, 1H-NMR, GC-MS, and LC-QTOF-MS. Based on the data, the metabolite formed is o-cumenol through the hydrolysis reaction of o-aryl carbamate with the enzyme carboxylesterase. o-cumenol or 2- isopropylphenol as a phenol derivative. To verify the existence of metabolite analytes that are believed to be there in coffee tainted with isoprocarb, more reliable analytical techniques utilizing analytical standards must be developed. Isoprocarb concentrations decreased along the storage time, especially in unsterilized conditions. As a toxic compound, a quantitative structural activity relationship study (QSAR) was initially carried out through a software application for estimating toxicity (TEST) provided by the US Environmental Protection Agency (EPA). For additional information, based on the LC50 and LD50 data confirmed from the TEST application, it was concluded that isoprocarb is more toxic than o-cumenol.

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Section: Qsar Results For Isoprocarb and Metabolite Productsmentioning

confidence: 99%

“…Idroxylgroup molecules are more responsive, which is an important identification throughout the process. Sharma et al [23] identified hydrolysis as a dangerous insecticide.…”

Section: Qsar Results For Isoprocarb and Metabolite Productsmentioning

confidence: 99%

See 1 more Smart Citation

Metabolite Formation of Pesticide Isoprocarb in Coffee Beans During Short-Term Storage and Condition

Nainggolan,

Saefumillah,

Saefudin

et al. 2024

J. Kim. Sains Apl.

View full text Add to dashboard Cite

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“…The band obtained at 1173.42/cm lies in the region 1260-1160/cm is due to P-O-C group. The positions of highly absorbed functional groups are mainly in the regions 2950-1190/cm that shows the characteristic of the number of adjacent hydrogen atoms in the molecular structure of malathion [ 35 ] .…”

Section: Resultsmentioning

confidence: 99%

Assessment of malathion and its effects on leukocytes in human blood samples

Sharma¹,

Tiwari²,

Gaur³

et al. 2016

J Biomed Res

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In the present paper, we report a reproducible, cost effective, fast response method for detection of malathion and its effects on leukocytes in different human blood groups. Spectroscopic methods (UV-Vis spectrometry) and Fourier transform infrared coupled with solid phase extraction were applied for analyzing malathion content in human blood plasma. The spiking levels of malathion in the range of 0.1-1.7 µg/mL were extracted from blood plasma samples using SPE. The present active functional groups (C = O; P-O-C; -OH; P = S) were also characterized. The recovery rate of malathion was 80%±4.5%. The calculated correlation coefficient was 0.9799, indicating the linearity of the results. The limit of detection (LOD) and limit of quantification (LOQ) were (0.1-1.7) µg/mL and (0.3-1.5) µg/mL, respectively. Malathion <1.0 µg/mL showed no significant change while higher levels of malathion exposure (1.5 µg/mL and 3.0 µg/mL) reduced the number of white blood cells. In conclusion, the spectroscopic results may be useful to understand the mechanism of other pesticides such as methyl parathion and parathion.

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“…Thus, a misleading image of food safety is produced, as at this dose level, the health impair is likely to occur in vivo [27,28]. It is estimated that over 900,000 people lose their life due to the ingestion of highly toxic pesticides [29]. For this reason, governments assign various rules to regulate the crop market retailing and food industry.…”

Section: Introductionmentioning

confidence: 99%

Pesticide Residues Identification by Optical Spectrum in the Time-Sequence of Enzyme Inhibitors Performed on Microfluidic Paper-Based Analytical Devices (µPADs)

et al. 2019

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Pesticides vary in the level of poisonousness, while a conventional rapid test card only provides a general “absence or not” solution, which cannot identify the various genera of pesticides. In order to solve this problem, we proposed a seven-layer paper-based microfluidic chip, integrating the enzyme acetylcholinesterase (AChE) and chromogenic reaction. It enables on-chip pesticide identification via a reflected light intensity spectrum in time-sequence according to the different reaction efficiencies of pesticide molecules and assures the optimum temperature for enzyme activity. After pretreatment of figures of reflected light intensity during the 15 min period, the figures mainly focused on the reflected light variations aroused by the enzyme inhibition assay, and thus, the linear discriminant analysis showed satisfying discrimination of imidacloprid (Y = −1.6525X − 139.7500), phorate (Y = −3.9689X − 483.0526), and avermectin (Y = −2.3617X − 28.3082). The correlation coefficients for these linearity curves were 0.9635, 0.8093, and 0.9094, respectively, with a 95% limit of agreement. Then, the avermectin class chemicals and real-world samples (i.e., lettuce and rice) were tested, which all showed feasible graphic results to distinguish all the chemicals. Therefore, it is feasible to distinguish the three tested kinds of pesticides by the changes in the reflected light spectrum in each min (15 min) via the proposed chip with a high level of automation and integration.

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Three dimensional structure prediction and proton nuclear magnetic resonance analysis of toxic pesticides in human blood plasma

Cited by 5 publications

References 35 publications

Metabolite Formation of Pesticide Isoprocarb in Coffee Beans During Short-Term Storage and Condition

Metabolite Formation of Pesticide Isoprocarb in Coffee Beans During Short-Term Storage and Condition

Assessment of malathion and its effects on leukocytes in human blood samples

Pesticide Residues Identification by Optical Spectrum in the Time-Sequence of Enzyme Inhibitors Performed on Microfluidic Paper-Based Analytical Devices (µPADs)

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