Sugars in the gas phase. Spectroscopy, conformation, hydration, co-operativity and selectivity
Sugars in the gas phase. Spectroscopy, conformation, hydration, co-operativity and selectivity
复制标题
气相糖。
DOI：
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发表时间：
2005
期刊：
影响因子：
--
通讯作者：
L. Snoek
中科院分区：
文献类型：
--
作者：
J. Simons;R. A. Jockusch;P. Çarçabal;Isabel Huenig;R. Kroemer;N. Macleod;L. Snoek
碳水化合物在生物过程中的功能重要性，特别是那些涉及特定分子识别的过程，是巨大的。表征碳水化合物和糖缀合物的三维结构及其与其他分子的相互作用，特别是无处不在的溶剂水，是理解这些过程的关键起点。综述介绍了一种新的策略，结合电子和振动光谱的质量选择的碳水化合物分子及其水合（质子化）的配合物，在分子束条件下进行，从头计算。它的早期成功揭示了一种独特的强大手段来表征碳水化合物的构象和水合结构，它们支持（或支持它们）的氢键网络以及它们与其他分子相互作用的特异性。在气相中获得的新信息补充了更传统的凝聚相方法，如NMR，X射线衍射，分子力学和分子动力学计算。审查的结论与展望的挑战和机遇所提供的应用分子束光谱学及其相关性在生物学方面。第1页。 前言490 2.甜味和光：气相中的糖492 3.实验和计算策略495 4.一些关键单糖的构象景观：葡萄糖、半乳糖、甘露糖、岩藻糖和木糖498 4.1.记法498 4.2.葡萄糖，4.3.岩藻糖和木糖503 5.探测糖苷键：乳糖和聚糖"结构单元" 504 5.1.记法506 5.2.乳糖506 5.3.甘露糖二糖508 6.向糖中加水：氢键、协同性和选择性512 6.1.记法512 6.2.单水合络合物：6.3.协同性和构象选择性516 6.4.单水合复合物：木糖和岩藻糖519 6.5.一些结论521 7.使用糖：亚氨基糖和肽模拟物522 7.1.糖模拟物：亚氨基糖522 7.2.模拟肽二级结构：8.挑战和机遇527鸣谢529
The functional importance of carbohydrates in biological processes, particularly those involving specific molecular recognition, is immense. Characterizing the three-dimensional structures of carbohydrates and glycoconjugates and their interactions with other molecules, particularly the ubiquitous solvent, water, are key starting points on the road towards the understanding of these processes. The review introduces a new strategy, combining electronic and vibrational spectroscopy of mass-selected carbohydrate molecules and their hydrated (and also protonated) complexes, conducted under molecular beam conditions, with ab initio computation. Its early successes have revealed a uniquely powerful means of characterizing carbohydrate conformations and hydrated structures, the hydrogen-bonded networks they support (or which support them) and the specificity of their interactions with other molecules. The new information, obtained in the gas phase, complements that provided by more ‘traditional’ condensed phase methods such as NMR, X-ray diffraction, molecular mechanics and molecular dynamics calculations. The review concludes with a vision of the challenges and opportunities offered by applications of molecular beam spectroscopy and their relevance in a biological context. Contents PAGE 1. Preamble 490 2. Sweetness and light: Sugars in the gas phase 492 3. Experimental and computational strategies 495 4. The conformational landscapes of some key monosaccharides: glucose, galactose, mannose, fucose and xylose 498 4.1. Notation 498 4.2. Glucose, galactose and mannose 499 4.3. Fucose and xylose 503 5. Probing the glycosidic linkage: lactose and glycan ‘building blocks’ 504 5.1. Notation 506 5.2. Lactose 506 5.3. Mannose disaccharides 508 6. Adding water to sugar: hydrogen-bonding, co-operativity and selectivity 512 6.1. Notation 512 6.2. Mono-hydrated complexes: glucose, galactose and mannose 512 6.3. Co-operativity and conformational selectivity 516 6.4. Mono-hydrated complexes: xylose and fucose 519 6.5. Some concluding remarks 521 7. Using sugars: imino sugars and peptide mimics 522 7.1. Sugar mimics: imino sugars 522 7.2. Mimicking peptide secondary structure: carbopeptoids 524 8. Challenges and opportunities 527 Acknowledgements 529 References 530
通过核磁共振和分子动力学模拟观察三甘露糖苷与甘露糖结合蛋白结合的构象。
影响因子：
3.4
作者：
Sayers,EricW;Prestegard,JamesH
通讯作者：
Prestegard,JamesH