The Stability of Cyclodextrin Complexes in Solution.

The photoisomerization of azobenzene has been known for almost 75 years but only recently has this process been widely applied to biological systems. The central challenge of how to productively couple the isomerization process to a large functional change in a biomolecule has been met in a number of instances and it appears that effective photocontrol of a large variety of biomolecules may be possible. This critical review summarizes key properties of azobenzene that enable its use as a photoswitch in biological systems and describes strategies for using azobenzene photoswitches to drive functional changes in peptides, proteins, nucleic acids, lipids, and carbohydrates (192 references).

Azobenzene photoswitches for biomolecules.

Computer-aided drug discovery/design methods have played a major role in the development of therapeutically important small molecules for over three decades. These methods are broadly classified as either structure-based or ligand-based methods. Structure-based methods are in principle analogous to high-throughput screening in that both target and ligand structure information is imperative. Structure-based approaches include ligand docking, pharmacophore, and ligand design methods. The article discusses theory behind the most important methods and recent successful applications. Ligand-based methods use only ligand information for predicting activity depending on its similarity/dissimilarity to previously known active ligands. We review widely used ligand-based methods such as ligand-based pharmacophores, molecular descriptors, and quantitative structure-activity relationships. In addition, important tools such as target/ligand data bases, homology modeling, ligand fingerprint methods, etc., necessary for successful implementation of various computer-aided drug discovery/design methods in a drug discovery campaign are discussed. Finally, computational methods for toxicity prediction and optimization for favorable physiologic properties are discussed with successful examples from literature.

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Computational Methods in Drug Discovery

A.- B.- C.- D.- E.- F.- G.- H.- I.- J.- K.- L.- M.- N.- O.- P.- Q.- R.- S.- T.- U.- V.- W.- X.- Y.- Z.

Dictionary of natural products

In this review, we outline examples that illustrate the design criteria for achieving macromolecular assemblies that incorporate a combination of two or more chemical, physical or biological stimuli-responsive components. Progress in both fundamental investigation into the phase transformations of these polymers in response to multiple stimuli and their utilization in a variety of practical applications are highlighted. Using these examples, we aim to explain the origin of employed mechanisms of stimuli responsiveness which may serve as a guideline to inspire future design of multi-stimuli responsive materials.

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Multi-stimuli responsive macromolecules and their assemblies

Publisher Summary This chapter discusses molecular refractivity and polarizability. Refractive indices ( n ) of pure substances are more accurately measurable than any other optical properties. The refractive index of a substance varies with its physical state, temperature t , and wave-length λ of the light by which n is observed. The first two of these effects are attributed to the density d . The specific refraction r of a substance multiplied by the molecular weight is referred as molecular refraction. Polarizability of a particle is defined as the dipole moment induced by an electric field of unit intensity. The polarizabilities of monatomic ions and molecules are generally independent of field direction. The principal polarizabilities of molecules can be analyzed in terms of anisotropic bond polarizabilities. Polarizabilities are also responsible for the birefringence, which appears whenever the orientations of anisotropic molecules in an assemblage are derandomized or changed by any disturbing force.

Molecular Refractivity and Polarizability

Student Objectives Understand the central importance of organic chemistry to biological systems; Identify the major organic functional groups and understand their chemistry; Understand the chemistry, isolation processes and uses of sugars, alkaloids (opiates, caffeine, nicotine, strychnine, etc.), essential oils (mint, lavender, etc.), taxol, cannabinoids and spider and snake toxins; Understand the physiological effects, mode of action and metabolism of select natural products.

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The Chemistry of Natural Products

119. The dipole moments of cis- and trans-azobenzenes and of some related compounds

178. The effects of substituents and solvents on the cis→trans change of azobenzene

610. Molecular polarisability. Application of the N–H and N–C link polarisabilities to the conformations of tertiary amines, piperidine, and morpholine

R. J. W. Le Fèvre

Papers

Molecular Refractivity and Polarizability

The Chemistry of Natural Products

119. The dipole moments of cis- and trans-azobenzenes and of some related compounds

178. The effects of substituents and solvents on the cis→trans change of azobenzene

610. Molecular polarisability. Application of the N–H and N–C link polarisabilities to the conformations of tertiary amines, piperidine, and morpholine