Investigation Of Aromatic Aromatic Interactions In Water Using Aromatic Groups Joined By Flexible Tethers
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Study of the Aromatic Ring Mediated Salt Bridge in Water
Author | : Xing Wang |
Publisher | : |
Total Pages | : |
Release | : 2012 |
Genre | : |
ISBN | : |
Aromatic stacked salt bridges are increasingly observed to play an important role in biology, suggesting that the two separate weak interactions cooperate with each other to mediate molecular recognition in a biological solution. In this thesis an in depth study was carried out in attempt to find the contribution of the guanidinium-carboxylate-aromatic triad in biological systems. Two different small molecule systems are used to carry out the study. From the results of the two chapters I proposed here that stacking aromatic ring enhances the salt bridge through desolvation effect. This hypothesis was also tested in a protein-protein interaction (Grb2 SH3 domain/SOS interaction). The most ideal peptide inhibitor cannot be obtained due to the synthetic difficulties. Limited result showed that increasing the hydrophobic area of the hot spot in this protein-protein interaction enhances the interaction. In researching the guanidinium-carboxylate-aromatic triad, we were inspired to study the pre-organization effect of 1,3,5-triethyl-2,4,6-trisubstituted benzene template. A computational and literature study done in this thesis showed that the installation of ethyl or methyl groups at 1,3,5 positions leads to consistent increases in binding affinity relative to unsubstituted hosts, but the amount of increase is non-trivial and varies with different substitutes. The installation of ethyl or methyl groups at 1,3,5 positions leads to consistent but relatively small increases in binding affinity relative to unsubstituted hosts.
Modern Cyclophane Chemistry
Author | : Rolf Gleiter |
Publisher | : John Wiley & Sons |
Total Pages | : 586 |
Release | : 2006-03-06 |
Genre | : Science |
ISBN | : 3527604634 |
Here, the editors Rolf Gleiter and Henning Hopf present an excellent overview of all the important aspects and latest results in cyclophane chemistry. Clearly structured and covering the entire range, the book introduces readers to the most recent research in the field. Twenty chapters, written by well-known scientists, cover in particular: - synthesis of carbo- and heterocyclic cyclophanes and metallocenophanes, - structural and spectroscopic properties of cyclophanes, - current and future applications in synthesis and material science, - novel reactions of cyclophanes, - use of cyclophanes as building blocks in supramolecular chemistry for this fascinating class of compounds. Thus, this is not only an extremely valuable source of information for synthetic organic chemists, but also a ready reference for scientists working in related fields of arene chemistry, stereoselective synthesis, material science, and bioorganic chemistry.
Macrocycles
Author | : Frank Davis |
Publisher | : John Wiley & Sons |
Total Pages | : 1069 |
Release | : 2011-02-23 |
Genre | : Technology & Engineering |
ISBN | : 1119990297 |
Macrocyclic molecules contain rings made up of seven or more atoms. They are interesting because they provide building blocks for synthesizing precise two or three dimensional structures – an important goal in nanotechnology. For example, they can be used to develop nanosized reaction vessels, cages, switches and shuttles, and have potential as components in molecular computers. They also have applications as catalysts and sensors. Macrocycles: Construction, Chemistry and Nanotechnology Applications is an essential introduction this important class of molecules and describes how to synthesise them, their chemistry, how they can be used as nanotechnology building blocks, and their applications. A wide range of structures synthesised over the past few decades are covered, from the simpler cyclophanes and multi-ring aromatic structures to vases, bowls, cages and more complex multi-ring systems and 3D architectures such as “pumpkins”, interlocking chains and knots. Topics covered include: principles of macrocycle synthesis simple ring compounds multi-ring aromatic structures porphyrins and phthalocanines cyclophanes crown ethers, cryptands and spherands calixarenes, resorcinarenes, cavitands, carcerands, and heterocalixarenes cyclodextrins cucurbiturils cyclotriveratylenes rotaxanes catenanes complex 3D architectures, including trefoils and knots Macrocycles: Construction, Chemistry and Nanotechnology Applications distills the essence of this important topic for undergraduate and postgraduate students, and for researchers in other fields interested in getting a general insight into this increasingly important class of molecules.
Glycoscience
Author | : Bertram O. Fraser-Reid |
Publisher | : Springer Science & Business Media |
Total Pages | : 2847 |
Release | : 2008-04-14 |
Genre | : Science |
ISBN | : 3540361545 |
As a reflection of the quantum leap that has been made in the study of glycostructures, the first edition of this book has been completely revised and updated. The editors give up-to-date information on glycostructures, their chemistry and chemical biology in the form of a completely comprehensive survey. Glycostructures play highly diverse and crucial roles in a myriad of organisms and important systems in biology, physiology, medicine, bioengineering and technology. Only in recent years have the tools been developed to partly understand the highly complex functions and the chemistry behind them. While many facts remain undiscovered, this MRW has been contributed to by a large number of the world’s leading researchers in the field.
Aromatic Interactions
Author | : Darren W. Johnson |
Publisher | : Royal Society of Chemistry |
Total Pages | : 296 |
Release | : 2016-11-24 |
Genre | : Science |
ISBN | : 1782624171 |
The field of aromatic interactions, the fundamental nature of substituent effects and the identification of contacts between anions and aromatic systems have generated stimulating arguments in recent years. New theoretical frameworks have been developed and tested and aromatic interactions have emerged as potential solutions for varied problems in biology and materials science. This book provides a wide ranging survey of the latest findings and advances surrounding aromatic interactions, stretching from the fundamentals to modern applications in synthesis, biology and materials chemistry. It also discusses computational, experimental and analytical approaches to understanding these interactions, including pi-pi, anion-pi, and cation-pi interactions. Aromatic Interactions: Frontiers in Knowledge and Application is a useful text for advanced students and researchers, and appeals to those working within the fields of supramolecular chemistry, computational chemistry and thermodynamics.