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Water clusters in organic molecular crystals
The patterns of water clusters within the Cambridge Structural Database have been classified as discrete rings and chains, infinite chains and tapes, and layer structures. Predominant patterns are
Organic crystal hydrates : what are the important factors for formation
A database study of 34 770 accurate organic crystal structures reveals that the most important factor determining a higher frequency of hydrates is the sum of the average donor and acceptor counts
Structural Changes in the BODIPY Dye PM567 Enhancing the Laser Action in Liquid and Solid Media
In the search for more efficient and photostable solid‐state dye lasers, newly synthesized analogs of the borondipyrromethene (BODIPY) dye PM567, bearing the polymerizable methacryloyloxypropyl group
Extended motifs from water and chemical functional groups in organic molecular crystals
The probability of organic compounds crystallising as hydrates increases with increasing number of polar chemical groups in the molecule. The extended patterns of H-bonding involving chemical groups
Controlling optical properties and function of BODIPY by using asymmetric substitution effects.
The laser action of the new dyes outperforms the laser behaviour of commercial dyes that emit in the same spectral region and allows the development of an iron cation fluorescent sensor.
Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome
A small molecule, the phenothiazine FD44, is identified that binds the interaction surface between NCS-1 and Ric8a, preventing the formation of the complex, and it restores normal synapse number and associative learning in a Drosophila FXS model.
Knowledge-based approaches to crystal design
A number of novel informatics approaches to the CSD are reviewed, including derivative databases and new research software, and exemplify their use in providing further knowledge that is important in the design of novel crystalline materials.
Hydrogen bond competition between chemical groups: new methodology and the Cambridge Structural Database
Abstract The probabilities of formation of intermolecular hydrogen bond interactions between chemical groups have been studied using new methodology to extract information from the Cambridge
Modification of pancreatic lipase properties by directed molecular evolution.
The results provide a basis for the design of improved lipase at acidic pH and identify for the first time key residues associated with chain-length specificity.