Structure‐Activity for uptake and toxicity of DDT‐type insecticides utilizing an NMR method for estimating σ*

Coats, Joel R.; Williams, John W.; Chang, Carolyn; Lee, An-Horng; Metcalf, Robert L.

doi:10.1002/etc.5620080106

Cited by 9 publications

(5 citation statements)

References 19 publications

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“…The situation for insecticides is more complex than for herbicides because of the interactions between the plant and the insect. For contact activity, insecticides must be absorbed through the insect integument; however, insecticides may be taken up by the plant which is eaten by the insect, in which case the compound may be absorbed into the insect through the midgut 46–49. No attempt has been made in this study to distinguish between insecticides that act primarily through contact activity and primarily as stomach poisons.…”

Section: Introductionmentioning

confidence: 99%

Selecting the right compounds for screening: does Lipinski's Rule of 5 for pharmaceuticals apply to agrochemicals?

2001

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Large numbers of compounds are now available through combinatorial chemistry and from compound vendors to screen for lead-level agrochemical activity. The likelihood that compounds with whole-organism activity will be discovered can be increased if compounds with physicochemical parameters consistent with transport to the target site are selected for screening. Certain ranges of simple parameters (molecular mass, log P, hydrogen-bond donors and acceptors, rotatable bonds) have been correlated with oral bioavailability of drugs. The distribution of these parameters for commercial insecticides and post-emergence herbicides was examined and ranges consistent with whole-organism activity are proposed for the two classes of agrochemical. The most significant difference identified between drugs and these two classes of agrochemicals was the lower numbers of hydrogen-bond donors allowed in the latter cases. The frequency with which certain functional groups occur in drugs and agrochemicals was also compared.

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Section: Introductionmentioning

confidence: 99%

Selecting the right compounds for screening: does Lipinski's Rule of 5 for pharmaceuticals apply to agrochemicals?

2001

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“…demonstrate the importance ofthe aliphatic moiety electronegativity in mammalian toxicity QSAR as well with an optimum a apparent at 1.5-2.5 (14).…”

Section: Ddt-type Insecticidesmentioning

confidence: 83%

Mechanisms of Toxic Action and Structure-Activity Relationships for Organochlorine and Synthetic Pyrethroid Insecticides

Coats

1990

Environmental Health Perspectives

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The mechanisms and sites of action of organochlorine (DDT-types and chlorinated alicyclics) and synthetic pyrethroid insecticides are presented with discussion of symptoms, physiological effects, and selectivity. The structural requirements for toxicity are assessed, and structure-activity relationships are considered for each subclass. Lipophilicity is important for all the groups because it facilitates delivery of these neurotoxicants to the site of action in the nerve. Steric factors including molecular volume, shape, and isomeric configuration greatly influence toxicity. Electronic parameters also have been demonstrated to affect biological activity in some of the groups of insecticides, e.g., Hammett's a and Taft's a* as indicators of electronegativity. New synthetic pyrethroids continue to be developed, with varied structures and different physicochemical and biological properties.

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“…We hypothesised that rising minimum temperatures and better water circulation at higher latitudes and mid-altitudes (Gao, Pan, & Zhang, 1991), caused by climate change, will allow S. mukorossi to expand into these areas. Clark (Clark & D., 2004) indicated that average temperature and rainfall were generally negatively correlated in the tropics, and de la Peña and Hughes stated (Pea & Hughes, 2007) that climate change will lead to more erratic rainfall patterns and unpredictable high temperature spells in the tropics. In the face of future climate change, extreme heat and erratic rainfall and drought at low latitudes will likely lead to localised areas that are no longer suitable for the distribution of S. mukorossi.…”

Section: Response Of Suitable Habitat Distribution To Future Climate Changementioning

confidence: 99%

Distinct Ecological Adaptations and Habitat Responses to Future Climate Change in Three East and Southeast Asian Sapindus Species

Liu

Sun

et al. 2021

Preprint

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Background: Sapindus is an important biodiesel, biomedical, and multifunctional economic forest species in Asia, however its germplasms have been persistently damaged or lost. It is imperative to conserve the diversity of Sapindus. This study aimed to reveal the potential habitat distribution patterns of Sapindus mukorossi, Sapindus delavayi, and Sapindus rarak in response to current environment and future climate change, and identify hotspots of habitat degradation/expansion to facilitate climate change-adaptive biological conservation. Methods: Using current environmental data and future climate projections (2021–2100), we simulated the present and potential future habitats of Sapindus mukorossi, Sapindus delavayi, and Sapindus rarak in east and southeast Asia using a maximum entropy (MaxEnt) model that was developed based on 2041 occurrence records. Results: The model showed that precipitation may play an important role in framing the potential habitats of Sapindus; however, S. delavayi was more sensitive to minimum temperatures (-2 °C to 3 °C) and elevation (1200-2000 m), while S. rarak was more demanding in terms of solar radiation (annual mean Uvb of 4600 to 5000 J/m2/day). Under the current environment, S. mukorossi has the widest suitable habitat distribution (250.24 × 104 km2), followed by that of S. rarak (173.49 × 104 km2), and S. delavayi (78.85 × 104 km2). Under future climate change scenarios, the habitat distribution of S. mukorossi will expand and contract, that of S. delavayi exhibited significant expansion. In contrast, future S. rarak habitat distribution exhibited significant contraction. Conclusions: There were significantly distinct ecological adaptations among Sapindus mukorossi, Sapindus delavayi, and Sapindus rarak in east and southeast Asia. The contraction areas should be subject to germplasm collection and ex situ conservation preferentially. The modelled unchanged areas should be used for potential future Sapindus mukorossi, Sapindus delavayi, and Sapindus rarak conservation and utilization.

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Structure‐Activity for uptake and toxicity of DDT‐type insecticides utilizing an NMR method for estimating σ*

Cited by 9 publications

References 19 publications

Selecting the right compounds for screening: does Lipinski's Rule of 5 for pharmaceuticals apply to agrochemicals?

Selecting the right compounds for screening: does Lipinski's Rule of 5 for pharmaceuticals apply to agrochemicals?

Mechanisms of Toxic Action and Structure-Activity Relationships for Organochlorine and Synthetic Pyrethroid Insecticides

Distinct Ecological Adaptations and Habitat Responses to Future Climate Change in Three East and Southeast Asian Sapindus Species

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