X-Ray Crystallography.pptx

X ray crystallography. M.Pharm 1yr (QA)
X ray diffraction.
Principle
Working
Instrumentation
Applications

1. X-Ray Crystallography Prepared by- Jaideep.R.Dethe (M.Pharm.1st Yr QA Department) Guided by- Prof. Vijay Borkar Rajarshi shahu college of pharmacy Buldhana.

2. Contents What is X-ray crystallography Introduction Principle Bragg’s law Working Instrumentation Application Summary

3. What is XRD X -Ray crystallography is a tool used to provide structural information symmetry and geometry of crystal molecule Determine the arrangement of atoms of a crystalline solid in three dimensional space. The technique was developed in 1912 by William Henry Bragg and William Lawrence Bragg.

4. Introduction X-ray crystallography uses electromagnetic radiation (specifically, X-rays) to determine the molecular and atomic structure of a crystal. The structure of the crystal causes the X-rays to diffract in specific directions. Through analysis of the intensities and angles of these beams, the position and arrangement of electrons within the crystalline structure can be determined.

5. Principle XRD relies on the principle of x ray diffraction . When the x rays interact with crystal lattic they diffract and produces a unique pattern That can be use to determine the arrangement of atom along with the mean position of atoms within the crystals their chemical bonds in the crystal..

6. Working Step1 - X-Ray beam strikes on crystal and get scattered in different directions on photographic film And we got Diffracted pattern

7. Continue.. Step 2- Electron Density Map Electron Density Map was generated on the bases of diffraction patters spots [ angle and intensity ]of beam pattern From this map knows the mean position of atoms The image of diffracted pattern was 2d image

8. Continue.. Step 3 – Atomic Model Depending on the electron density map created by 2d diffraction pattern We got a three dimensional structure

9. Instumentation X-Ray tuber The Goniometer Detector

10. XRD consist of basic three components X-ray source x-ray beam must be monochromatic Goniometer - A device the hold the crystal sample and rotate Detector - A photographic film act as a detector the records all diffracted beam

11. Bragg’s law Bragg's Law describes the relationship between the angles of incidence and reflection of electromagnetic waves as they interact with a crystal lattice structure. The law is based on the principles of constructive interference and diffraction. 

12. Bragg’s equation Bragg’s law states that when the x ray is incident on the crystal surface its angle of incidence will reflect back with a same angle of scattering n λ =2d sin θ Where, λ is wavelength of x-ray d is spacing of crystal layers Θ is incidents angle n is integer

13. APPLICATIONS XRD.in Biology Xrd has been pivotal in unreveling the structure of proteins DNAs and Viruses In molecular genetics, it played a vital role in discovering DNA's structure These insights deepened our knowledge of cellular processess

14. Continue.. XRD in Drug design Has role in drug design by revealing the precise structure of drug target and and their interaction

15. Continue.. XRD.in Chemistry In field of chemistry XRD has been instrumental in elucidating the structure of complex molecule including organic compounds and catalyst. This knowledge has profound implication for drug developmentand chemical synthesis

16. Continue.. XRD.in pharmaceutical industry Pharmaceutical manufacturers must be able to guarantee the safety and efficacy of their formulations through pervasive structural analysis at multiple points in the research and development cycle. XRD is the tried-and-tested solution for helping pharmaceutical researchers ensure the quality control of their crystalline

17. Continue... XRD. in forensic analysis As forensic analysts investigate evidence of crime XRD offers a nondestructive technique for analyzing drugs and gunshot residues to textile fibers and blood stains.

18. Continue.. Why the x- rays is used? Because the wavelength of X RAY is of the same order of the magnitude as the inter-atomic spacing in the crystal

19. Summary X-ray crystallography  unveils the atomic structures of  crystals , which are solid materials known for their orderly and repetitive arrangement of atoms or molecules. These X-rays interact with the atoms in the crystal, causing  diffraction   patterns These patterns are decoded into three-dimensional electron density maps using mathematical and computational methods. X-ray crystallography is fundamental to understanding chemistry, biology, and materials science at the atomic level.

20. Thank you Thank You