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松节油在作物生产中的高附加值应用:通过结构修饰和 QSAR 分析。

High Add Valued Application of Turpentine in Crop Production through Structural Modification and QSAR Analysis.

机构信息

Research & Development Center of Biorational Pesticide, College of Plant Protection, Northwest A&F University, Yangling 712100, Shaanxi, China.

Shaanxi Province Key Laboratory of Economic Plant Resources Development and Utilization, College of Forestry, Northwest A&F University, Yangling 712100, Shaanxi, China.

出版信息

Molecules. 2018 Feb 8;23(2):356. doi: 10.3390/molecules23020356.

DOI:10.3390/molecules23020356
PMID:29419733
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6017721/
Abstract

Turpentine is a volatile component of resin, which is an abundant forest resource in Southern China. As one of the most important components, the integrated application of β-pinene has been studied. The broad-spectrum evaluation of β-pinene and its analogues has, therefore, been necessary. In an attempt to expand the scope of agro-activity trials, the preparation and the evaluation of the herbicidal activity of a series of β-pinene analogues against three agricultural herbs were carried out. In accordance with the overall herbicidal activity, it is noteworthy that compounds , , and demonstrated extreme activity with IC values of 0.065, 0.065, and 0.052 mol active ingredients/hectare against . The preliminary structure-activity relationship (SAR) was analyzed and the compounds with the appropriate volatility and substituent type that had beneficial herbicidal activity were analyzed. Simultaneously, the quantitative structure-activity relationship (QSAR) model was built and the most important structural features were indicated, which was, to a certain extent, in line with the SAR study. The study aimed to study the application of the forest resource turpentine in agriculture as a potential and alternative approach for comprehensive utilization.

摘要

松节油是树脂的一种挥发性成分,而树脂在中国南方是一种丰富的森林资源。作为最重要的成分之一,β-蒎烯的综合应用已经得到了研究。因此,有必要对β-蒎烯及其类似物进行广谱评价。为了扩大农业活性试验的范围,我们对一系列β-蒎烯类似物的除草活性进行了制备和评价。根据整体除草活性,值得注意的是,化合物 、 和 对 表现出极高的活性,其 IC 值分别为 0.065、0.065 和 0.052 摩尔有效成分/公顷。对初步的结构-活性关系(SAR)进行了分析,并对具有适当挥发性和取代基类型且具有有益除草活性的化合物进行了分析。同时,建立了定量构效关系(QSAR)模型,并指出了最重要的结构特征,这在一定程度上与 SAR 研究相符。本研究旨在探讨将森林资源松节油应用于农业作为综合利用的一种潜在和替代方法。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/1725de136554/molecules-23-00356-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/341a6e2c4284/molecules-23-00356-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/ba8b8462f1af/molecules-23-00356-sch002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/f4435dcd6220/molecules-23-00356-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/2fb2e7ebc2bd/molecules-23-00356-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/b9f4f7c1810e/molecules-23-00356-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/c64875a44dd5/molecules-23-00356-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/1725de136554/molecules-23-00356-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/341a6e2c4284/molecules-23-00356-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/ba8b8462f1af/molecules-23-00356-sch002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/f4435dcd6220/molecules-23-00356-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/2fb2e7ebc2bd/molecules-23-00356-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/b9f4f7c1810e/molecules-23-00356-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/c64875a44dd5/molecules-23-00356-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bde/6017721/1725de136554/molecules-23-00356-g005.jpg

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