Substituent effect on structure and surface activity of N-methylpyridinium salts studied by FT-IR, FT-RS, SERS and DFT calculations

被引：14

作者：

Marzec, K. M. ^{[1
]}

Jaworska, A. ^{[1
,2
]}

Malek, K. ^{[1
,2
]}

Kaczor, A. ^{[1
,2
]}

Baranska, M. ^{[1
,2
]}

机构：

[1] Jagiellonian Univ, Jagiellonian Ctr Expt Therapeut, PL-30348 Krakow, Poland

[2] Jagiellonian Univ, Fac Chem, PL-30060 Krakow, Poland

来源：

JOURNAL OF RAMAN SPECTROSCOPY | 2013年 / 44卷 / 01期

关键词：

pyridinium; Raman spectroscopy; surface enhancement Raman spectroscopy; infrared spectroscopy; DFT modeling; ENHANCED RAMAN-SCATTERING; 1-METHYLNICOTINAMIDE MNA; CHARGE-TRANSFER; AB-INITIO; MOLECULAR GEOMETRIES; VIBRATIONAL-SPECTRA; SELECTION-RULES; X-RAY; SILVER; NICOTINAMIDE;

D O I：

10.1002/jrs.4152

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

The substituent effect on structure and surface activity of mono- and disubstituted N-methylpyridinium salts was investigated by means of Raman, infrared and surface-enhanced Raman spectroscopy (SERS). The significant differences observed in Raman and infrared spectra have been correlated with marker bands assigned to in-plane and out-of-plane vibrations, respectively. This vibrational analysis, complemented by quantum chemical calculations (B3LYP/6-311++G(d,p)) was a basis for investigation of the surface activity of the studied compounds. Significant differences in their SERS spectra related to the enhancement mechanism and adsorbate orientation have been observed and analyzed. Copyright (C) 2012 John Wiley & Sons, Ltd.

引用

页码：155 / 165

页数：11

共 55 条

[1]

Adamiec M, 2006, PHARMACOL REP, V58, P246

[2] Synthesis and Antimicrobial Activity of Some Pyridinium Salts [J].

Alptuzun, Vildan ;

Parlar, Sueluenay ;

Tasli, Hueseyin ;

Erciyas, Ercin .

MOLECULES, 2009, 14 (12) :5203-5215

[3]

Arenas JF, 1998, J RAMAN SPECTROSC, V29, P673, DOI 10.1002/(SICI)1097-4555(199808)29:8<673::AID-JRS291>3.0.CO

[4]

2-V

[5]

Bartus M, 2008, PHARMACOL REP, V60, P127

[6] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].

BECKE, AD .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652

[7] Pyridinium chlorides equipped with long chains as amphiphiles for potential nonviral gene delivery [J].

Bogatian, Mariana Viorica ;

Cimpeanu, Valentin ;

Deleanu, Calin ;

Corbu, Andreea Cristina ;

Bogatian, Gheorghe ;

Balaban, Teodor Silviu .

ARKIVOC, 2005, :272-284

[8]

Brown W., 2009, ORGANIC CHEM

[9] Anti-inflammatory effect of 1-methylnicotinamide in contact hypersensitivity to oxazolone in mice; involvement of prostacyclin [J].

Bryniarski, Krzysztof ;

Biedron, Rafal ;

Jakubowski, Andrzej ;

Chlopicki, Stefan ;

Marcinkiewicz, Janusz .

EUROPEAN JOURNAL OF PHARMACOLOGY, 2008, 578 (2-3) :332-338

[10] Therapeutic potential of 1-methylnicotinamide against acute gastric lesions induced by stress: Role of endogenous prostacyclin and sensory nerves [J].

Brzozowski, Tomasz ;

Konturek, Peter C. ;

Chlopicki, Stefan ;

Sliwowski, Zbigniew ;

Pawlik, Michal ;

Ptak-Belowska, Agata ;

Kwiecien, Slawomir ;

Drozdowicz, Danuta ;

Pajdo, Robert ;

Slonimska, Ewa ;

Konturek, Stanislaw J. ;

Pawlik, Wieslaw W. .

JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS, 2008, 326 (01) :105-116

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