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聚甲撑-α,ω-双（N,N-二甲基-N-十二烷基溴化铵）的合成、分子结构、光谱性质和抗真菌活性。

Synthesis, molecular structure, spectral properties and antifungal activity of polymethylene-α,ω-bis(N,N- dimethyl-N-dodecyloammonium bromides).

机构信息

Laboratory of Microbiocides Chemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland.

出版信息

Molecules. 2011 Jan 5;16(1):319-35. doi: 10.3390/molecules16010319.

DOI:10.3390/molecules16010319
PMID:21266945
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6259176/
Abstract

Hexamethylene-1,6-bis-(N,N-dimethyl-N-dodecylammonium bromide), pentamethylene-1,5-bis(N,N-dimethyl-N-dodecylammonium bromide), tetramethylene-1,4-bis(N,N-dimethyl-N-dodecylammonium bromide), trimethylene-1,3-bis(N,N-dimethyl-N-dodecylammonium bromide) and ethylene-1,2-bis(N,N-dimethyl-N-dodecylammonium bromide) have been obtained and characterized by FTIR and NMR spectroscopy. DFT calculations have also been carried out. The optimized bond lengths, bond angles and torsion angles calculated by Hartree-Fock/3-21G(d,p) approach have been presented. MIC values for A. niger, P. chrysogenum, C. albicans have been determined and the relationship between MIC and spacer length has been discussed.

摘要

已获得并通过傅里叶变换红外光谱和核磁共振波谱对六亚甲基-1,6-双-（N,N-二甲基-N-十二烷基溴化铵）、戊亚甲基-1,5-双（N,N-二甲基-N-十二烷基溴化铵）、四亚甲基-1,4-双（N,N-二甲基-N-十二烷基溴化铵）、三亚甲基-1,3-双（N,N-二甲基-N-十二烷基溴化铵）和亚乙基-1,2-双（N,N-二甲基-N-十二烷基溴化铵）进行了表征。还进行了密度泛函理论计算。呈现了通过 Hartree-Fock/3-21G(d,p)方法计算得到的优化键长、键角和扭转角。测定了黑曲霉、产黄青霉、白色念珠菌的最小抑菌浓度（MIC）值，并讨论了 MIC 值与间隔长度之间的关系。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/b610f9768eb7/molecules-16-00319-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/0251309e56d4/molecules-16-00319-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/ec3866d3c94b/molecules-16-00319-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/cbb8d0be249a/molecules-16-00319-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/26e36054fad1/molecules-16-00319-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/b7ba2ebe6ad8/molecules-16-00319-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/e70597cddd93/molecules-16-00319-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/5a559d2d804f/molecules-16-00319-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/5e6f27f1ab8d/molecules-16-00319-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/b610f9768eb7/molecules-16-00319-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/0251309e56d4/molecules-16-00319-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/ec3866d3c94b/molecules-16-00319-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/cbb8d0be249a/molecules-16-00319-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/26e36054fad1/molecules-16-00319-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/b7ba2ebe6ad8/molecules-16-00319-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/e70597cddd93/molecules-16-00319-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/5a559d2d804f/molecules-16-00319-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/5e6f27f1ab8d/molecules-16-00319-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7d1/6259176/b610f9768eb7/molecules-16-00319-g009.jpg

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