X-Ray Diffraction (XRD) is a technique used in the pharmaceutical industry to analyze crystal structures. It involves using x-rays to diffract off the planes of atoms in a crystal. By analyzing the angles and intensities of the diffracted x-rays, properties of the crystal such as its unit cell, polymorphism, purity, and compatibility with excipients can be determined. These properties have important implications for drug development, manufacturing, and quality control in the pharmaceutical industry.
In this slide contains Principle, Methods, Interpretation and applications of XRD.
Presented by: Udit Narayan Singh (Department of pharmaceutics)
RIPER, anantpur.
X-Ray Crystallography is a technique used to determine the atomic and molecular structure of a crystal, in which the crystalline atoms cause a beam of incident X-rays to diffract into many specific directions.
X-ray crystallography is the experimental science determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to diffract into many specific directions. By measuring the angles and intensities of these diffracted beams, a crystallographer can produce a three-dimensional picture of the density of electrons within the crystal. From this electron density, the mean positions of the atoms in the crystal can be determined, as well as their chemical bonds, their crystallographic disorder, and various other information.
In this slide contains Principle, Methods, Interpretation and applications of XRD.
Presented by: Udit Narayan Singh (Department of pharmaceutics)
RIPER, anantpur.
X-Ray Crystallography is a technique used to determine the atomic and molecular structure of a crystal, in which the crystalline atoms cause a beam of incident X-rays to diffract into many specific directions.
X-ray crystallography is the experimental science determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to diffract into many specific directions. By measuring the angles and intensities of these diffracted beams, a crystallographer can produce a three-dimensional picture of the density of electrons within the crystal. From this electron density, the mean positions of the atoms in the crystal can be determined, as well as their chemical bonds, their crystallographic disorder, and various other information.
X ray crystallography to visualize protein structure.Ritam38
This ppt discusses in detail the process of X ray Crystallography.
Made by the following 3rd year Bs-Ms students of IISER Kolkata:
B Sri Sindhu
Rasiwala Hassan Shabbir
Ritam Samanta
Himanshu Gupta
Sakshi Ajay Shrisath
Aditya Borkar
Diana Denzil Fernandez
Neha Kumari
.Sowmya
Anjali Mohan
Debanjana Mondal
Aanandita Gope
Shruti Santosh Sail
CHARACTERIZATION OF CRYSTALLINE AND PARTIALLY CRYSTALLINE SOLIDS BY X-RAY POWDER DIFFRACTION (XRPD)
USP <941>
Every crystalline phase of a given substance produces a characteristic X-ray diffraction pattern.
Diffraction patterns can be obtained from a randomly oriented crystalline powder composed of crystallites (crystalline regions within a particle) or crystal fragments of finite size.
Essentially three types of information can be derived from a powder diffraction pattern:
The angular position of diffraction lines (depending on geometry and size of the unit cell).
The intensities of diffraction lines (depending mainly on atom type and arrangement and preferred orientation within the sample.
Diffraction line profiles (depending on instrumental resolution, crystallite size, strain, and specimen thickness).
Introduction
Definition
History
Principle
Instrumentation
Methods
Applications
Advantages
Limitation
Conclusion
References
X-ray diffraction (XRD) is one of the most important non-destructive tools to analyze all kinds of matter—ranging from fluids, to powders and crystals. From research to production and engineering, XRD is an indispensable method for materials characterization and quality control.
X-ray diffraction techniques are used for the identification of crystalline phases of various materials and the quantitative phase analysis subsequent to the identification.
X-ray diffraction techniques are superior in elucidating the three-dimensional atomic structure of crystalline solids.
Nutraceutical market, scope and growth: Herbal drug technologyLokesh Patil
As consumer awareness of health and wellness rises, the nutraceutical market—which includes goods like functional meals, drinks, and dietary supplements that provide health advantages beyond basic nutrition—is growing significantly. As healthcare expenses rise, the population ages, and people want natural and preventative health solutions more and more, this industry is increasing quickly. Further driving market expansion are product formulation innovations and the use of cutting-edge technology for customized nutrition. With its worldwide reach, the nutraceutical industry is expected to keep growing and provide significant chances for research and investment in a number of categories, including vitamins, minerals, probiotics, and herbal supplements.
A brief information about the SCOP protein database used in bioinformatics.
The Structural Classification of Proteins (SCOP) database is a comprehensive and authoritative resource for the structural and evolutionary relationships of proteins. It provides a detailed and curated classification of protein structures, grouping them into families, superfamilies, and folds based on their structural and sequence similarities.
Earliest Galaxies in the JADES Origins Field: Luminosity Function and Cosmic ...Sérgio Sacani
We characterize the earliest galaxy population in the JADES Origins Field (JOF), the deepest
imaging field observed with JWST. We make use of the ancillary Hubble optical images (5 filters
spanning 0.4−0.9µm) and novel JWST images with 14 filters spanning 0.8−5µm, including 7 mediumband filters, and reaching total exposure times of up to 46 hours per filter. We combine all our data
at > 2.3µm to construct an ultradeep image, reaching as deep as ≈ 31.4 AB mag in the stack and
30.3-31.0 AB mag (5σ, r = 0.1” circular aperture) in individual filters. We measure photometric
redshifts and use robust selection criteria to identify a sample of eight galaxy candidates at redshifts
z = 11.5 − 15. These objects show compact half-light radii of R1/2 ∼ 50 − 200pc, stellar masses of
M⋆ ∼ 107−108M⊙, and star-formation rates of SFR ∼ 0.1−1 M⊙ yr−1
. Our search finds no candidates
at 15 < z < 20, placing upper limits at these redshifts. We develop a forward modeling approach to
infer the properties of the evolving luminosity function without binning in redshift or luminosity that
marginalizes over the photometric redshift uncertainty of our candidate galaxies and incorporates the
impact of non-detections. We find a z = 12 luminosity function in good agreement with prior results,
and that the luminosity function normalization and UV luminosity density decline by a factor of ∼ 2.5
from z = 12 to z = 14. We discuss the possible implications of our results in the context of theoretical
models for evolution of the dark matter halo mass function.
Introduction:
RNA interference (RNAi) or Post-Transcriptional Gene Silencing (PTGS) is an important biological process for modulating eukaryotic gene expression.
It is highly conserved process of posttranscriptional gene silencing by which double stranded RNA (dsRNA) causes sequence-specific degradation of mRNA sequences.
dsRNA-induced gene silencing (RNAi) is reported in a wide range of eukaryotes ranging from worms, insects, mammals and plants.
This process mediates resistance to both endogenous parasitic and exogenous pathogenic nucleic acids, and regulates the expression of protein-coding genes.
What are small ncRNAs?
micro RNA (miRNA)
short interfering RNA (siRNA)
Properties of small non-coding RNA:
Involved in silencing mRNA transcripts.
Called “small” because they are usually only about 21-24 nucleotides long.
Synthesized by first cutting up longer precursor sequences (like the 61nt one that Lee discovered).
Silence an mRNA by base pairing with some sequence on the mRNA.
Discovery of siRNA?
The first small RNA:
In 1993 Rosalind Lee (Victor Ambros lab) was studying a non- coding gene in C. elegans, lin-4, that was involved in silencing of another gene, lin-14, at the appropriate time in the
development of the worm C. elegans.
Two small transcripts of lin-4 (22nt and 61nt) were found to be complementary to a sequence in the 3' UTR of lin-14.
Because lin-4 encoded no protein, she deduced that it must be these transcripts that are causing the silencing by RNA-RNA interactions.
Types of RNAi ( non coding RNA)
MiRNA
Length (23-25 nt)
Trans acting
Binds with target MRNA in mismatch
Translation inhibition
Si RNA
Length 21 nt.
Cis acting
Bind with target Mrna in perfect complementary sequence
Piwi-RNA
Length ; 25 to 36 nt.
Expressed in Germ Cells
Regulates trnasposomes activity
MECHANISM OF RNAI:
First the double-stranded RNA teams up with a protein complex named Dicer, which cuts the long RNA into short pieces.
Then another protein complex called RISC (RNA-induced silencing complex) discards one of the two RNA strands.
The RISC-docked, single-stranded RNA then pairs with the homologous mRNA and destroys it.
THE RISC COMPLEX:
RISC is large(>500kD) RNA multi- protein Binding complex which triggers MRNA degradation in response to MRNA
Unwinding of double stranded Si RNA by ATP independent Helicase
Active component of RISC is Ago proteins( ENDONUCLEASE) which cleave target MRNA.
DICER: endonuclease (RNase Family III)
Argonaute: Central Component of the RNA-Induced Silencing Complex (RISC)
One strand of the dsRNA produced by Dicer is retained in the RISC complex in association with Argonaute
ARGONAUTE PROTEIN :
1.PAZ(PIWI/Argonaute/ Zwille)- Recognition of target MRNA
2.PIWI (p-element induced wimpy Testis)- breaks Phosphodiester bond of mRNA.)RNAse H activity.
MiRNA:
The Double-stranded RNAs are naturally produced in eukaryotic cells during development, and they have a key role in regulating gene expression .
The increased availability of biomedical data, particularly in the public domain, offers the opportunity to better understand human health and to develop effective therapeutics for a wide range of unmet medical needs. However, data scientists remain stymied by the fact that data remain hard to find and to productively reuse because data and their metadata i) are wholly inaccessible, ii) are in non-standard or incompatible representations, iii) do not conform to community standards, and iv) have unclear or highly restricted terms and conditions that preclude legitimate reuse. These limitations require a rethink on data can be made machine and AI-ready - the key motivation behind the FAIR Guiding Principles. Concurrently, while recent efforts have explored the use of deep learning to fuse disparate data into predictive models for a wide range of biomedical applications, these models often fail even when the correct answer is already known, and fail to explain individual predictions in terms that data scientists can appreciate. These limitations suggest that new methods to produce practical artificial intelligence are still needed.
In this talk, I will discuss our work in (1) building an integrative knowledge infrastructure to prepare FAIR and "AI-ready" data and services along with (2) neurosymbolic AI methods to improve the quality of predictions and to generate plausible explanations. Attention is given to standards, platforms, and methods to wrangle knowledge into simple, but effective semantic and latent representations, and to make these available into standards-compliant and discoverable interfaces that can be used in model building, validation, and explanation. Our work, and those of others in the field, creates a baseline for building trustworthy and easy to deploy AI models in biomedicine.
Bio
Dr. Michel Dumontier is the Distinguished Professor of Data Science at Maastricht University, founder and executive director of the Institute of Data Science, and co-founder of the FAIR (Findable, Accessible, Interoperable and Reusable) data principles. His research explores socio-technological approaches for responsible discovery science, which includes collaborative multi-modal knowledge graphs, privacy-preserving distributed data mining, and AI methods for drug discovery and personalized medicine. His work is supported through the Dutch National Research Agenda, the Netherlands Organisation for Scientific Research, Horizon Europe, the European Open Science Cloud, the US National Institutes of Health, and a Marie-Curie Innovative Training Network. He is the editor-in-chief for the journal Data Science and is internationally recognized for his contributions in bioinformatics, biomedical informatics, and semantic technologies including ontologies and linked data.
Cancer cell metabolism: special Reference to Lactate PathwayAADYARAJPANDEY1
Normal Cell Metabolism:
Cellular respiration describes the series of steps that cells use to break down sugar and other chemicals to get the energy we need to function.
Energy is stored in the bonds of glucose and when glucose is broken down, much of that energy is released.
Cell utilize energy in the form of ATP.
The first step of respiration is called glycolysis. In a series of steps, glycolysis breaks glucose into two smaller molecules - a chemical called pyruvate. A small amount of ATP is formed during this process.
Most healthy cells continue the breakdown in a second process, called the Kreb's cycle. The Kreb's cycle allows cells to “burn” the pyruvates made in glycolysis to get more ATP.
The last step in the breakdown of glucose is called oxidative phosphorylation (Ox-Phos).
It takes place in specialized cell structures called mitochondria. This process produces a large amount of ATP. Importantly, cells need oxygen to complete oxidative phosphorylation.
If a cell completes only glycolysis, only 2 molecules of ATP are made per glucose. However, if the cell completes the entire respiration process (glycolysis - Kreb's - oxidative phosphorylation), about 36 molecules of ATP are created, giving it much more energy to use.
IN CANCER CELL:
Unlike healthy cells that "burn" the entire molecule of sugar to capture a large amount of energy as ATP, cancer cells are wasteful.
Cancer cells only partially break down sugar molecules. They overuse the first step of respiration, glycolysis. They frequently do not complete the second step, oxidative phosphorylation.
This results in only 2 molecules of ATP per each glucose molecule instead of the 36 or so ATPs healthy cells gain. As a result, cancer cells need to use a lot more sugar molecules to get enough energy to survive.
Unlike healthy cells that "burn" the entire molecule of sugar to capture a large amount of energy as ATP, cancer cells are wasteful.
Cancer cells only partially break down sugar molecules. They overuse the first step of respiration, glycolysis. They frequently do not complete the second step, oxidative phosphorylation.
This results in only 2 molecules of ATP per each glucose molecule instead of the 36 or so ATPs healthy cells gain. As a result, cancer cells need to use a lot more sugar molecules to get enough energy to survive.
introduction to WARBERG PHENOMENA:
WARBURG EFFECT Usually, cancer cells are highly glycolytic (glucose addiction) and take up more glucose than do normal cells from outside.
Otto Heinrich Warburg (; 8 October 1883 – 1 August 1970) In 1931 was awarded the Nobel Prize in Physiology for his "discovery of the nature and mode of action of the respiratory enzyme.
WARNBURG EFFECT : cancer cells under aerobic (well-oxygenated) conditions to metabolize glucose to lactate (aerobic glycolysis) is known as the Warburg effect. Warburg made the observation that tumor slices consume glucose and secrete lactate at a higher rate than normal tissues.
(May 29th, 2024) Advancements in Intravital Microscopy- Insights for Preclini...Scintica Instrumentation
Intravital microscopy (IVM) is a powerful tool utilized to study cellular behavior over time and space in vivo. Much of our understanding of cell biology has been accomplished using various in vitro and ex vivo methods; however, these studies do not necessarily reflect the natural dynamics of biological processes. Unlike traditional cell culture or fixed tissue imaging, IVM allows for the ultra-fast high-resolution imaging of cellular processes over time and space and were studied in its natural environment. Real-time visualization of biological processes in the context of an intact organism helps maintain physiological relevance and provide insights into the progression of disease, response to treatments or developmental processes.
In this webinar we give an overview of advanced applications of the IVM system in preclinical research. IVIM technology is a provider of all-in-one intravital microscopy systems and solutions optimized for in vivo imaging of live animal models at sub-micron resolution. The system’s unique features and user-friendly software enables researchers to probe fast dynamic biological processes such as immune cell tracking, cell-cell interaction as well as vascularization and tumor metastasis with exceptional detail. This webinar will also give an overview of IVM being utilized in drug development, offering a view into the intricate interaction between drugs/nanoparticles and tissues in vivo and allows for the evaluation of therapeutic intervention in a variety of tissues and organs. This interdisciplinary collaboration continues to drive the advancements of novel therapeutic strategies.
Seminar of U.V. Spectroscopy by SAMIR PANDASAMIR PANDA
Spectroscopy is a branch of science dealing the study of interaction of electromagnetic radiation with matter.
Ultraviolet-visible spectroscopy refers to absorption spectroscopy or reflect spectroscopy in the UV-VIS spectral region.
Ultraviolet-visible spectroscopy is an analytical method that can measure the amount of light received by the analyte.
PRESENTATION ABOUT PRINCIPLE OF COSMATIC EVALUATION
X ray diffraction
1. X-Ray Diffraction (XRD)
IN PHARMACEUTICAL
Industry
Presented by :
SWASTIK JYOTI PAL
Roll no-19320318001
M.Pharm 1st yr(2018-20)
Bengal School of Technology
Hooghly,West Bengal1
2. “X-Rays”
• X-rays were discovered in 1895 by German Scientist
William Röntgen.
• X-RAYS are part of electromagnetic spectrum with
wavelength shorter than visible light.
• Most X-Rays have wavelength ranging from 0.01 to 10
nm.
2
Fig 1-position of x ray in electromagnetic spectrum
3. X-ray Crystallography
A tool used for identifying the atomic and molecular structure
of a crystal, in which the crystalline atoms cause a beam of
incident X-rays to diffract into many specific directions.
Measuring the angles and intensities of these diffracted
beams, a crystallographer can produce a three-dimensional
picture of the density of electrons within the crystal.
From this electron density, the mean positions of the atoms in
the crystal can be determined, as well as their chemical bonds,
their disorder and various other information.
Why only x-ray are used? Because x-rays have wavelengths of
about the same magnitude as the distance between the atoms or
molecules of crystal.
4
4. Crystals and Lattice
A. Crystallography involves the general consideration of how
crystals can be built from small units.
B. This corresponds to the infinite repetition of identical
structural units (frequently referred to as a unit cell) in space.
C. In other words, the structure of all crystals can be described
by a lattice, with a group of atoms allocated to every lattice
point.
D. Based on edge length and axial angle there are 14 Bravis
lattice .
4
Fig 2- a unit
cell
5. How are diffraction patterns made?
When X-rays are
scattered from a
crystalline solid they
can constructively
interfere , producing a
diffracted beam.
5
Fig 3-constructive vs destructive
interference
6. Bragg’s Diffraction
• Diffraction from a three dimensional periodic structure such
as atoms in a crystal is called Bragg Diffraction.
• Consequence of interference between waves reflecting
from different crystal planes.
• Constructive interference is given by Bragg's law:
• Where λ is the wavelength, d is the distance between crystal
planes, θ is the angle of the diffracted wave. and n is an
integer known as the order of the diffracted beam.
nλ = 2d sin θ
6
7. n2=גּd.sinθ
Where,
n: an integer
d: interplanar distance
of crystal
θ: Bragg Angle
7
If the distance DE+EF=nλ, where n is an
integer , the scattered radiation will be
in phase and the crystal will appear to
reflect the x ray.
But,
DE=EF=d sin θ
Thus, nλ=2d sinθ
Fig 4-Braggs law explaining diffraction through
crystal
8. X-ray Generation
At the level of electrons-
1. Expulsion of electrons
from one of the lower
quantum
2. Vacancy filled by an
electron from upper
shell.
3. Emission of photon.
8
X rays are produced
whenever high speed
electrons collide with a
metal target .
A source of electrons – hot
Tungsten filament,a high
accelerating voltage
between the cathode(W)
and the anode and a metal
target (Cu,Al,Mo,Mg).
The anode is water cooled
block of Cu containing
desired target metal
13. 1.DRUG DEVELOPMENT:
• XRD provides details on degree of crystallinity and
amorphous content of synthetic mixtures.
• Crystalline impurities present can be quantified
down to 0.05% levels.
• XRD data is accepted for new product registrations
and patent applications.
• Single crystal structure of the active ingredient
and powder pattern of the finished formulation are
essential prerequisites for registration of new
patents.
13
14. 2.CRYSTAL STRUCTURE ANALYSIS– the lattice
type and dimensions of a unit cell need to be
specified for the crystalline content.
Diffraction patterns: When you shine a light beam
through a crystal, you get a distinctive pattern of
bright spots called a diffraction pattern. This pattern
is actually three dimensional.
Information from a diffraction pattern-
• Phase Identification
• Crystal Size
• Crystal Quality
• Texture (to some extent)
• Crystal Structure
14
15. 15
• Peak positions determined by size and shape of unit cell
• Peak intensities determined by the atomic number and
position of the various atoms within the unit cell
• Peak widths determined by instrument parameters ,
temperature, and crystal size, strain, and imperfections
Fig 8- XRD
graphs
16. 16
3.POLYMORPHISM -polymorphic content can impact
properties such as solubility and dissolution rate,
bioavailability and stability so it is important to collect
details on polymorphic properties of ingredients of a
drug material
Fig 9-XRD
patterns of (a)
crystalline and
(b) amorphous
sucrose
17. 17
4.PERCENTAGE OF CRYSTALLINITY– the
percent crystallinity is a valuable parameter for
drug dosage form. It has significant influence
on manufacturing and processing as well as the
pharmacological behaviour.
5. COMPATIBILITY WITH EXCIPIENTS-
makes it an ideal choice for studies on active
drug- excipient combinations. A detailed study
of the chosen excipients with active
pharmaceutical ingredient is a must for
consistency of properties such as drug release
and bio- availability.
18. 6. MANUFACTURING PROCESS CONTROL-
Manufacturing process can involve morphological changes in
crystalline phase due to introduction of stress forces. Such
changes can influence a drug’s bioavailability
The nondestructive nature of XRD analysis makes it an ideal
choice to fix the safe tableting pressure range so that the
dosage form achieves its targeted dissolution rate and bio
availability.
7. IDENTIFICATION OF IMPURITIES-
X-ray diffraction pattern of any specimens match with standard
Presence of Additional lines on the photograph of specimen,
indicate the presence of impurity.
e.g In cosmetic talc, the contaminant tremolite (a potentially
carcinogen ) can be detected by x-ray diffraction technique.
18
19. CONCLUSION
X-ray Diffraction is a very useful to characterize materials as it is:
1. A non destructive and easy method
2. X rays are not much absorbed by air,so the specimen need not to
be in an evacuated chamber .
3. This method is less expensive than other instrumental analysis
methods.
4. Requires minimal sample preparations.
5. Applicable over a wide range of samples.
6. Spectra obtained are simple and easy to interpret.
19
20. 1.Waseda Y,Matsubara E,Shinoda K. X-Ray Diffraction
Crystallography-Introduction, Examples and Solved Problems.
London, New York:Springer ; 2011 ;p.– 1-5,21-25.
2.Hammond C. The basics of crystallography and diffraction.
Third edition . New York : Oxford University Press ; 2011 ;p. 210-
215.
3.Ladd M,Palmer R . Structure determination - x ray
crystallography . Fifth edition . New York, London:Springer ;
2013 ; p.190-220.
4.Skoog D,Holler F,Crouch S. Principles of instrumental analysis.
Sixth edition. Australia:Thomson publication ;2007;p. 309-310.
REFERENCE
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