【摘要】：為了探究口含煙煙堿(NIC)在人體胃部的吸收特性,配制了特定濃度的檸檬酸-檸檬酸鈉緩沖溶液使其p H=2.0,并在該條件下配制不同濃度的煙堿溶液樣品,隨后用該樣品作用于胃蛋白酶,利用多種光譜學(xué)方法(分子熒光光譜、紫外光譜、紅外光譜、圓二色譜)和分子模擬對(duì)接技術(shù)觀察添加不同濃度煙堿前后胃蛋白酶的光譜學(xué)變化,初步研究了NIC與胃蛋白酶(Pepsin)相互作用機(jī)理。光譜學(xué)與分子模擬對(duì)接結(jié)果表明:1)NIC與Pepsin之間為靜態(tài)熒光猝滅機(jī)制;2)NIC與Pepsin之間通過(guò)氫鍵和范德華力自發(fā)的發(fā)生相互作用;3)NIC與Pepsin之間存在著一個(gè)高親和力的結(jié)合位點(diǎn);4)NIC和Pepsin之間的相互作用不僅使Pepsin中氨基酸殘基的微環(huán)境極性增加,同時(shí)使得Pepsin多肽鏈的C=O、C-N和N-H發(fā)生了變化,進(jìn)而導(dǎo)致Pepsin的構(gòu)象和空間結(jié)構(gòu)發(fā)生變化,同時(shí)NIC的加入對(duì)Pepsin活性呈明顯的增強(qiáng)效應(yīng)。以上研究結(jié)果對(duì)口含煙產(chǎn)品開(kāi)發(fā)、質(zhì)量控制和安全評(píng)價(jià)具有重要理論意義。
[Abstract]:In order to investigate the absorption characteristics of nicotinic (NIC) in human stomach, a specific concentration of citric acid-sodium citrate buffer solution was prepared to make its pH 2.0, and different concentrations of nicotine solution samples were prepared under these conditions. Then the sample was used to act on pepsin, and a variety of spectroscopic methods (molecular fluorescence spectrum, ultraviolet spectrum, infrared spectrum) were used. Circular dichroism (CD) and molecular simulation docking technique were used to observe the spectral changes of pepsin before and after the addition of different concentrations of nicotine. The interaction mechanism between NIC and pepsin (Pepsin) was preliminarily studied. The results of spectroscopy and molecular simulation show that: 1) there is a static fluorescence quenching mechanism between NIC and Pepsin; 2) spontaneous interaction between NIC and Pepsin by hydrogen bond and van der Waals force; 3) there is a high affinity binding site between NIC and Pepsin. 4) the interaction between NIC and Pepsin not only increased the microenvironmental polarity of amino acid residues in Pepsin, At the same time, the changes of C-N and N-H of Pepsin polypeptide chain resulted in the change of conformation and spatial structure of Pepsin, and the addition of NIC had obvious enhancement effect on the activity of Pepsin. The above results are of great theoretical significance to the development, quality control and safety evaluation of tobacco products.
【作者單位】： 云南中煙工業(yè)有限責(zé)任公司技術(shù)中心;四川大學(xué)化學(xué)工程學(xué)院;
【基金】：中國(guó)煙草總公司科技重大專項(xiàng)項(xiàng)目“基于外周加熱方式的電加熱新型煙草制品的研究與開(kāi)發(fā)(11020151003(XX-03))” 云南省青年自然科學(xué)基金項(xiàng)目“電子煙中煙堿形態(tài)分析及遷移規(guī)律研究(2015FD097)”
【分類號(hào)】：R99

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