Synthesis, crystal structure, insecticidal activities, molecular docking and QSAR studies of some new phospho guanidines and phospho pyrazines as cholinesterase inhibitors

QSRR models for predicting the retention indices of VOCs in different datasets using an efficient variable selection method coupled with artificial neural network modeling: ANN-based QSPR modeling

This study reports the biological activity of essential oils from fertility tree and horseradish tree leaves, and the mechanisms by which these oils promote insecticidal activity using Drosophila melanogaster as a model organism. Adult D. melanogaster were exposed to these essential oils at a final concentration of 10 µL/g for 24 hours. The exposure of flies to the essential oil resulted in significant decrease in their survival and fecundity. In addition, the essential oils produced significant reduction in acetylcholinesterase activity and induced oxidative stress in the flies as evidenced by an increase in reactive oxygen species, thiol and thiobarbituric reactive substance levels, as well as catalase activity. The essential oils were also characterized by gas chromatography coupled with mass spectrometry. Constituents such as terpenoids, Bis (2-ethylhexyl) phthalate, benzeneacetaldehyde, phytol, octadecane, 9,12-octadecadienoic acid (Z,Z)- methyl ester, heneicosane, eicosane and others were characterized. Therefore, our results point out to the potential application of fertility tree and horseradish tree leaf essential oils as natural alternatives to synthetic insecticides in agricultural and pest control practices, especially against dipterans.

Involvement of Cholinergic and Redox Impairments in Insecticidal Properties of Essential Oils from Fertility Tree and Horseradish Tree Leaves in Fruit Fly (Drosophila melanogaster).

Synthesis, crystal structure and biological evaluation of new phosphoramide derivatives as urease inhibitors using docking, QSAR and kinetic studies.

A series of temephos (Tem) derivatives with the general structure of P(O)NH–X–NHP(O) (1–22) were synthesized and characterized by 31P, 13C, 1H NMR and FT-IR spectral techniques. The electron density (ρ) value at the bond critical point (bcp) of P(1′)–O(1′)···(1)H–N(1) (0.040 e A−3) P(1)–O(1)···(1′)H–N(1′) (0.031 e A−3) as well as the stabilization energy of electronic delocalization of results of NBO analysis showed the hydrogen bonding energy in P(1′)–O(1′)···(1)H–N(1) model (E
 2 = −72.15 kJ mol−1) and P(1)–O(1)···(1′)H–N(1′) (E
 2 = −45.67 kJ mol−1) of the crystal cluster 7. The activities of Tem derivatives were evaluated using the modified Ellman’s method on cholinesterase (ChE) enzymes. The insecticide activity of Tem analogous appraised for the elm leaf beetle in which the 18 had more effective than the other compounds in inhibition α-esterase of insect. Principal component analysis–quantitative structure activity relationship (PCA–QSAR) models indicated that it was deduced that the frontier molecular orbital energy parameters in PC1 are predominated from those related to electronic in PC2 and structural parameters in PC3 equation. Multiple linear regressions–QSAR models clarified that the molecular descriptors like an integrated net charge of nitrogen atom (Q
 N), polarizability (PLN–H) and lowest unoccupied molecular orbital (E
 LUMO) proved important in defining the activity of the candidates.

Bisphosphoramidate derivatives: synthesis, crystal structure, anti-cholinesterase activity, insecticide potency and QSAR analysis

Hg(Ii) Complex of N-Nicotinyl -N', N''-Bis (N-Methyl Benzylaminyl) Phosphoric Triamide: Synthesis, Structure, and in Vitro Anticancer Evaluation

Handle everyday research tasks with reliable, citation-backed results

Your personal Research Agent to handle research tasks with citation-backed results

Popular Tasks used by Researchers

How can I help with your research?

Meet SciSpace

Get more enhanced response by uploading the PDFs you want me to reference.

No relevant PDFs in your library

SciSpace is the AI research assistant for academics. Run systematic literature reviews on 280M+ papers, and write papers with cited sources. Trusted by 1M+ students, PhDs & researchers.

SciSpace | AI for Research

Analyze PDFs

Code & Manuscripts

Funding & Grants

Literature & Patents

Medical & Clinical Data

Systematic Review

Visualize & Present

Web & Data

Build a Google Scholar-like website for your research.

Build a website

Create charts and images for your research

Create a Chart

Write a paper for submission to a journal

Draft a manuscript

Patent Search

Design eye-catching scientific posters in minutes.

Scientific Poster Generation

Systematic Literature Review

One task is running at the moment. Your messages will be shown right after.

Drag and drop or click here to browse

Loved by <highlight>1 million+</highlight> researchers

Extract a list of specific topics and their sources from unstructured text

Topics

Compare and analyze relevant papers that matches with your search

Papers

Get insights from PDFs and bookmarked papers from your library

My library

Recent searches

Try searching for:

Catch AI-generated content in scholarly and non-scholarly content

{ai} Detector

Ai Writer

Get PDF Summaries, highlighted text explanations 

Chat with PDF

Effortlessly create in-text citations and bibliographies in APA and 2,500 other formats

Citation generator

Get explanations, summaries, and answers on academic papers

Ease up your research workflow with {scispace}'s cohort of exciting AI tools

Elevate your academic writing skills and convey your ideas the way you want

Paraphraser

Explore our range of reading and writing tools

Your file is being prepared and should be ready in a few minutes. If it's a large file, it might take a bit longer. You can close this window, and we'll email you the file when it's done.

You have reached a maximum limit of <strong>{limit}</strong> columns in the table. Remove at least <strong>1</strong> column to add or create another one.

Mina Salahi

Author Tools

Chat about Author

Papers

Bisphosphoramidate derivatives: synthesis, crystal structure, anti-cholinesterase activity, insecticide potency and QSAR analysis

Hg(Ii) Complex of N-Nicotinyl -N', N''-Bis (N-Methyl Benzylaminyl) Phosphoric Triamide: Synthesis, Structure, and in Vitro Anticancer Evaluation