Experimental/theoretical electrostatic properties of a styrylquinoline-type HIV-1 integrase inhibitor and its progenitors

Article Abstract:

The aim of a study is to evaluate the predictive ability of the electron density and electrostatic properties in the structure-activity relationship of styrylquinoline-type HIV-1 antiviral drugs. High-resolution X-ray diffraction experiments and ab initio theoretical calculations are used to derive the electron density and electrostatic properties of the progenitors of a potent HIV-1 IN inhibitor.

Electric properties, Antiviral agents, Quinoline

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On pattern matching of X-ray powder diffraction data

Article Abstract:

A novel pattern matching algorithm optimized for X-ray powder diffraction data and useful for data from other types of analytical techniques is introduced. This algorithm can be very useful in automated polymorph screening and salt selection, common tasks in the development of pharmaceuticals.

Polymorphism (Crystallography)

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Synthesis and optical property of beta-brass colloid

Article Abstract:

Cu/Zn beta-brass colloid was synthesized by reducing the organometallic complexes in the organic liquid phase. It is confirmed by X-ray diffraction that the material formed pure beta-phase.

Chemical synthesis, Copper compounds, Zinc compounds, Chemical properties

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