不同物态及单个杆菌芽孢中的2,6-吡啶二羧酸的拉曼光谱特征与结构分析

利用激光镊子拉曼系统(LTRS)测定了2,6-吡啶二羧酸(DPA)及其钙盐(Ca-DPA)的固体(粉末与晶体)和水溶液及单个细菌芽孢的光谱并进行了对比分析.不同物态的 DPA 及 Ca-DPA 的拉曼光谱有很大区别.分析导致光谱差异的结构上的原因可能有:(1)DPA 晶体产生的散射要大于 DPA 粉末所产生的散射,DPA 晶体的拉曼光谱所反映的 DPA 的特征信息比 DPA 粉末更为精确;(2)晶体状态的 DPA及Ca-DPA 中可能有水分子的存在,其与水分子间的相互作用是很强;(3)钙离子的存在影响吡啶环两边的羧基,从而使吡啶环产生一定的几何形变,羧基中的羟基也受到破坏;(4) DPA与Ca-DPA 溶液中主要存在的是DPA-2,在 Cla-DPA 溶液中钙离子主要是对吡啶环结构的稳定性产生影响.在测定单个杆菌芽孢内 DPA 的研究中发现,芽孢体内的 DPA 是以 Ca-DPA 晶体的形式存在的.

Raman spectra and structure analysis of 2,6-pyridine dicarboxylic acid in different states and single Bacillus spore

The Raman spectra of 2,6-pyridine dicarboxylic acid (DPA) and their calcium salts(Ca-DPA) in different states and the Ca-DPA in a single bacterial spore have been recorded by laser tweezers Raman system (LTRS) and the spectra have been assigned. Raman spectra of different states of DPA and Ca-DPA are different evidently. Analysis leading to differences in the structure of spectrum may be due to that the Raman spectra of DPA crystalline reflected more precise characteristics information compared to DPA powder, in which the laser can penetrate through DPA crystalline and the Raman scatter from the crystalline interior is greater than that from DPA powder. The second reason is that DPA powder and Ca-DPA crystalline contain water molecules, and the intermolecular hydrogen bonding in the crystals of these molecules is extensive. The presence of calcium ions would affect the pyridine ring so that both sides of the carboxyl pyridine ring have a certain geometric deformation and the hydroxy carboxylic was damaged. The DPA2-anion is principal in Ca-DPA and the DPA solution. The calcium ion affects the stability of the pyridine ring structure in the Ca-DPA solution. The result from the spectra also showed that the DPA in single spores present Ca-DPA crystal state.