• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

SBA-15负载氟康唑作为一种防止低碳钢腐蚀的方法：合成、表征及计算研究

SBA15-Fluconazole as a Protective Approach Against Mild Steel Corrosion: Synthesis, Characterization, and Computational Studies.

作者信息

Bustos-Terrones Victoria, Serratos Iris N, Vargas Rubicelia, Landeros-Rivera Bruno C, Bustos-Terrones Yaneth A, Soto Estrada Ana M, Vicente Escobar Jonathan O, Romero Romo Mario A, Uruchurtu Jorge, Menchaca Carmina, Esparza Schulz Juan M, Domínguez Armando

机构信息

Departamento de Química Universidad Autónoma Metropolitana-Iztapalapa San Rafael Atlixco 186, Col. Vicentina Ciudad de México, C.P. 09340 Mexico.

División de Estudios de Posgrado e Investigación-Ingeniería Ambiental Instituto Tecnológico de Culiacán Juan de Dios Batiz 310, Col. Guadalupe, Culiacán Sinaloa C.P. 80220 Mexico.

出版信息

ChemistryOpen. 2018 Nov 28;7(12):984-994. doi: 10.1002/open.201800201. eCollection 2018 Dec.

DOI:10.1002/open.201800201
PMID:30524924
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6276104/
Abstract

A SBA15-Fluconazole composite (SBA15-Flu) was prepared to formulate a self-healing coating for mild steel. The composite was obtained by dispersing SBA15 in a methanolic solution containing Fluconazole (Flu). The materials were characterized by using different techniques. Electrochemical impedance spectroscopy (EIS) was used for protective behavior evaluation of the coatings on mild steel substrates in an electrolytic solution prepared from sodium chloride and ammonium sulfate. The EIS results indicate that the inhibitor trapped in the SiO matrix is released when it comes into contact the aggressive solution, thus protecting the metal. To understand the inhibitor release mechanism, docking studies were used to model the SBA15-Flu complex, which allowed us to further determine polar and non-polar contributions to the binding free energy. An analysis of the electron density within the quantum theory of atoms in molecules and the non-covalent interaction index frameworks were also carried out for the most favorable models of SBA15-Flu. The results indicate that the liberation rate of the Flu molecules is mainly determined by the formation of strong O-H⋅⋅⋅O, O-H⋅⋅⋅N, and O-H⋅⋅⋅F hydrogen bonds.

摘要

制备了一种SBA15-氟康唑复合物（SBA15-Flu），用于配制低碳钢的自修复涂层。该复合物是通过将SBA15分散在含有氟康唑（Flu）的甲醇溶液中获得的。采用不同技术对材料进行了表征。利用电化学阻抗谱（EIS）对在由氯化钠和硫酸铵配制的电解液中低碳钢基底上的涂层的防护性能进行评估。EIS结果表明，被困在SiO基体中的抑制剂在与侵蚀性溶液接触时会释放出来，从而保护金属。为了理解抑制剂的释放机制，采用对接研究对SBA15-Flu复合物进行建模，这使我们能够进一步确定对结合自由能的极性和非极性贡献。还对SBA15-Flu的最有利模型进行了分子中原子量子理论内的电子密度分析和非共价相互作用指数框架分析。结果表明，Flu分子的释放速率主要由强O-H⋅⋅⋅O、O-H⋅⋅⋅N和O-H⋅⋅⋅F氢键的形成决定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/21874cefab82/OPEN-7-984-g015.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/e80e64382943/OPEN-7-984-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/4ce3740c2a1f/OPEN-7-984-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/8d96a7a6fe11/OPEN-7-984-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/e8599ab44259/OPEN-7-984-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/5089dd6f7afe/OPEN-7-984-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/8fd7333ed6f6/OPEN-7-984-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/5660087540dd/OPEN-7-984-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/19c64815d0fd/OPEN-7-984-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/044eac793b26/OPEN-7-984-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/d00245790419/OPEN-7-984-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/b5e38ad18a6d/OPEN-7-984-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/4d1d4c11769c/OPEN-7-984-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/b8523c389819/OPEN-7-984-g013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/85a3bdec8996/OPEN-7-984-g014.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/21874cefab82/OPEN-7-984-g015.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/e80e64382943/OPEN-7-984-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/4ce3740c2a1f/OPEN-7-984-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/8d96a7a6fe11/OPEN-7-984-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/e8599ab44259/OPEN-7-984-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/5089dd6f7afe/OPEN-7-984-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/8fd7333ed6f6/OPEN-7-984-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/5660087540dd/OPEN-7-984-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/19c64815d0fd/OPEN-7-984-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/044eac793b26/OPEN-7-984-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/d00245790419/OPEN-7-984-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/b5e38ad18a6d/OPEN-7-984-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/4d1d4c11769c/OPEN-7-984-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/b8523c389819/OPEN-7-984-g013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/85a3bdec8996/OPEN-7-984-g014.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ad0/6276104/21874cefab82/OPEN-7-984-g015.jpg

相似文献

1
SBA15-Fluconazole as a Protective Approach Against Mild Steel Corrosion: Synthesis, Characterization, and Computational Studies.SBA-15负载氟康唑作为一种防止低碳钢腐蚀的方法：合成、表征及计算研究
ChemistryOpen. 2018 Nov 28;7(12):984-994. doi: 10.1002/open.201800201. eCollection 2018 Dec.
2
pH-Sensitive Polydopamine-La (III) Complex Decorated on Carbon Nanofiber toward On-Demand Release Functioning of Epoxy Anti-Corrosion Coating.pH 敏感型聚多巴胺-镧（III）复合物修饰碳纤维实现环氧树脂防腐涂层的按需释放功能
Langmuir. 2022 Sep 27;38(38):11707-11723. doi: 10.1021/acs.langmuir.2c01801. Epub 2022 Sep 13.
3
Effect of Polytetrafluoroethylene (PTFE) Content on the Properties of Ni-Cu-P-PTFE Composite Coatings.聚四氟乙烯（PTFE）含量对Ni-Cu-P-PTFE复合涂层性能的影响
Materials (Basel). 2023 Feb 27;16(5):1966. doi: 10.3390/ma16051966.
4
Porphyrins as Corrosion Inhibitors for N80 Steel in 3.5% NaCl Solution: Electrochemical, Quantum Chemical, QSAR and Monte Carlo Simulations Studies.卟啉作为N80钢在3.5%氯化钠溶液中的缓蚀剂：电化学、量子化学、定量构效关系及蒙特卡罗模拟研究
Molecules. 2015 Aug 18;20(8):15122-46. doi: 10.3390/molecules200815122.
5
Self-Repairing Composites for Corrosion Protection: A Review on Recent Strategies and Evaluation Methods.用于腐蚀防护的自修复复合材料：近期策略与评估方法综述
Materials (Basel). 2019 Aug 27;12(17):2754. doi: 10.3390/ma12172754.
6
Fabrications of hybrid Polyurethane-Pd doped ZrO smart carriers for self-healing high corrosion protective coatings.用于自修复高耐腐蚀防护涂层的混合聚氨酯-Pd 掺杂 ZrO 智能载体的制备。
Environ Res. 2022 Aug;211:113095. doi: 10.1016/j.envres.2022.113095. Epub 2022 Mar 10.
7
Amino acids modified konjac glucomannan as green corrosion inhibitors for mild steel in HCl solution.氨基酸改性魔芋葡甘聚糖在 HCl 溶液中作为绿色缓蚀剂对低碳钢的缓蚀作用。
Carbohydr Polym. 2018 Feb 1;181:191-199. doi: 10.1016/j.carbpol.2017.10.069. Epub 2017 Oct 23.
8
Eco-friendly approach for the fabrication of biо copper based superhydrophobic coating on steel metal and its corrosion resistance evaluation.在钢金属上制备生物铜基超疏水涂层的环保方法及其耐腐蚀性评估。
Heliyon. 2024 Jan 13;10(2):e24693. doi: 10.1016/j.heliyon.2024.e24693. eCollection 2024 Jan 30.
9
Aramid-Zirconia Nanocomposite Coating With Excellent Corrosion Protection of Stainless Steel in Saline Media.在盐溶液介质中对不锈钢具有优异防腐性能的芳纶-氧化锆纳米复合涂层
Front Chem. 2020 May 19;8:391. doi: 10.3389/fchem.2020.00391. eCollection 2020.
10
Local Electrochemical Corrosion of 6061 Aluminum Alloy with Nano-SiO/MAO Composite Coating.纳米二氧化硅/微弧氧化复合涂层6061铝合金的局部电化学腐蚀
Materials (Basel). 2023 Oct 17;16(20):6721. doi: 10.3390/ma16206721.

引用本文的文献

1
Experimental and In Silico Studies on the Development of an Electrochemical Biosensor for the Quantification of HO Based on the ChOx Enzyme.基于ChOx酶的用于定量检测HO的电化学生物传感器开发的实验及计算机模拟研究
Biosensors (Basel). 2025 Apr 29;15(5):279. doi: 10.3390/bios15050279.
2
Quartz Crystal Microbalance Application and Studies to Characterize the Interaction of Bovine Serum Albumin with Plasma Polymerized Pyrrole Surfaces: Implications for the Development of Biomaterials.石英晶体微天平的应用及研究——牛血清白蛋白与等离子体聚合吡咯表面相互作用的特征：对生物材料发展的启示。
Langmuir. 2023 Aug 15;39(32):11213-11223. doi: 10.1021/acs.langmuir.3c00308. Epub 2023 Aug 1.
3

本文引用的文献

1
The Origin of Chalcogen-Bonding Interactions.硫属元素键相互作用的起源。
J Am Chem Soc. 2017 Oct 25;139(42):15160-15167. doi: 10.1021/jacs.7b08511. Epub 2017 Oct 17.
2
Intermolecular interactions in molecular crystals: what's in a name?分子晶体中的分子间相互作用：名字里有什么含义？
Faraday Discuss. 2017 Oct 13;203:93-112. doi: 10.1039/c7fd00072c.
3
Chalcogen bonding in synthesis, catalysis and design of materials.合成、催化及材料设计中的硫属元素键合
Binding of Two Tetrasulfophthalocyanines (Fe(III) and Metal-Free) to Lysozyme: Fluorescence Spectroscopic and Computational Approach.
两种四磺酞菁（Fe(III) 和金属自由）与溶菌酶的结合：荧光光谱和计算方法。
J Fluoresc. 2021 May;31(3):787-796. doi: 10.1007/s10895-021-02710-7. Epub 2021 Mar 4.
Dalton Trans. 2017 Aug 8;46(31):10121-10138. doi: 10.1039/c7dt01685a.
4
Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state.固态中以氟为中心的“F...O”σ-空穴相互作用的表征。
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2017 Apr 1;73(Pt 2):140-152. doi: 10.1107/S2052520616017492. Epub 2017 Mar 14.
5
Tetrel Bonding Interactions.四中心键相互作用。
Chem Rec. 2016 Feb;16(1):473-87. doi: 10.1002/tcr.201500256. Epub 2016 Jan 27.
6
Experimental validation of 'pnicogen bonding' in nitrogen by charge density analysis.通过电荷密度分析对氮中“磷键”进行实验验证。
Phys Chem Chem Phys. 2015 Jan 28;17(4):2330-4. doi: 10.1039/c4cp04690k. Epub 2014 Dec 10.
7
Effects of pH on the association between the inhibitor cystatin and the proteinase chymopapain.pH对抑制剂胱抑素与蛋白酶木瓜凝乳蛋白酶之间结合作用的影响。
Protein Pept Lett. 2014;22(3):239-47. doi: 10.2174/0929866522666141126162839.
8
Grid-based algorithm to search critical points, in the electron density, accelerated by graphics processing units.基于网格的算法，用于在电子密度中搜索临界点，由图形处理单元加速。
J Comput Chem. 2014 Dec 5;35(31):2272-8. doi: 10.1002/jcc.23752.
9
Tetrel-bonding interaction: rediscovered supramolecular force?四中心键相互作用：重新发现的超分子力？
Angew Chem Int Ed Engl. 2013 Nov 18;52(47):12317-21. doi: 10.1002/anie.201306501. Epub 2013 Oct 2.
10
The C-h···o hydrogen bond:  structural implications and supramolecular design.C-H···O氢键：结构影响与超分子设计
Acc Chem Res. 1996 Sep;29(9):441-9. doi: 10.1021/ar950135n.