Fragmentation in mass spectrometry involves the breakdown of molecular ions into smaller daughter ions. There are several types of fragmentation including homolytic cleavage, heterolytic cleavage, and rearrangement reactions. Homolytic cleavage involves equal transfer of electrons to both atoms, forming a radical and cation. Heterolytic cleavage involves both electrons being taken by one atom, forming an even electron cation and radical. Rearrangement reactions require changes to multiple bonds and can eliminate smaller molecules. Common rearrangements include McLafferty rearrangement and elimination reactions. Fragmentation patterns provide information about functional groups present in molecules.
Introduction
working principle
fragmentation process
general rules for fragmentation
general modes of fragmentation
metastable ions
isotopic peaks
applications
Introduction
working principle
fragmentation process
general rules for fragmentation
general modes of fragmentation
metastable ions
isotopic peaks
applications
PRINCIPLES of FT-NMR & 13C NMR
Fourier Transform
FOURIER TRANSFORM NMR SPECTROSCOPY
THEORY OF FT-NMR
13C NMR SPECTROSCOPY
Principle
Why C13-NMR is required though we have H1-NMR?
CHARACTERISTIC FEATURES OF 13 C NMR
Chemical Shifts
NUCLEAR OVERHAUSER ENHANCEMENT
Short-Comings of 13C-NMR Spectra
Various factor affecting vibrational frequency in IR spectroscopy.vishvajitsinh Bhati
various factor affecting vibrational frequency in IR,
• Coupled vibrations
• Fermi resonance
• Electronic effects
• Hydrogen bonding
and their examples
this ppt contain all basic information related to the mass spectrometry like introduction, principle of MS, type of ions, fragmentation processes eg. mcLafferty rearrangement, alpha clevage, sigma bond clevage, retro-diels-alder reaction
In this slide contains Interference In Atomic Absorption Spectroscopy and applications.
Presented by: Shaik Gouse ul azam. ( department of pharmaceutical analysis.)
RIPER, anantpur.
MS Fragmentation Process and Application of MS.pdfDr. Dinesh Mehta
Bombardment of molecules by an electron beam with energy
between 10-15ev usually results in the ionization of molecules by
removal of one electron (Molecular ion formation).
MS Fragmentation Process and Application of MS.pdfDr. Dinesh Mehta
Fragmentation process:
Bombardment of molecules by an electron beam with energy between 10-15ev usually results in the ionization of molecules by removal of one electron (Molecular ion formation).
PRINCIPLES of FT-NMR & 13C NMR
Fourier Transform
FOURIER TRANSFORM NMR SPECTROSCOPY
THEORY OF FT-NMR
13C NMR SPECTROSCOPY
Principle
Why C13-NMR is required though we have H1-NMR?
CHARACTERISTIC FEATURES OF 13 C NMR
Chemical Shifts
NUCLEAR OVERHAUSER ENHANCEMENT
Short-Comings of 13C-NMR Spectra
Various factor affecting vibrational frequency in IR spectroscopy.vishvajitsinh Bhati
various factor affecting vibrational frequency in IR,
• Coupled vibrations
• Fermi resonance
• Electronic effects
• Hydrogen bonding
and their examples
this ppt contain all basic information related to the mass spectrometry like introduction, principle of MS, type of ions, fragmentation processes eg. mcLafferty rearrangement, alpha clevage, sigma bond clevage, retro-diels-alder reaction
In this slide contains Interference In Atomic Absorption Spectroscopy and applications.
Presented by: Shaik Gouse ul azam. ( department of pharmaceutical analysis.)
RIPER, anantpur.
MS Fragmentation Process and Application of MS.pdfDr. Dinesh Mehta
Bombardment of molecules by an electron beam with energy
between 10-15ev usually results in the ionization of molecules by
removal of one electron (Molecular ion formation).
MS Fragmentation Process and Application of MS.pdfDr. Dinesh Mehta
Fragmentation process:
Bombardment of molecules by an electron beam with energy between 10-15ev usually results in the ionization of molecules by removal of one electron (Molecular ion formation).
In mass spectrometry, fragmentation is the dissociation of energetically unstable molecular ions formed from passing the molecules in the ionization chamber of a mass spectrometer. The fragments of a molecule cause a unique pattern in the mass spectrum.
Isotopes are two atoms of the same element that have the same number of protons but different numbers of neutrons. Isotopes are specified by the mass number.
Ionization is the process by which an atom or a molecule acquires a negative or positive charge by gaining or losing electrons to form ions, often in conjunction with other chemical changes. Ionization can result from the loss of an electron after collisions with subatomic particles, collisions with other atoms, molecules and ions, or through the interaction with light. Heterolytic bond cleavage and heterolytic substitution reactions can result in the formation of ion pairs. Ionization can occur through radioactive decay by the internal conversion process, in which an excited nucleus transfers its energy to one of the inner-shell electrons causing it to be ejected.
Multi-source connectivity as the driver of solar wind variability in the heli...Sérgio Sacani
The ambient solar wind that flls the heliosphere originates from multiple
sources in the solar corona and is highly structured. It is often described
as high-speed, relatively homogeneous, plasma streams from coronal
holes and slow-speed, highly variable, streams whose source regions are
under debate. A key goal of ESA/NASA’s Solar Orbiter mission is to identify
solar wind sources and understand what drives the complexity seen in the
heliosphere. By combining magnetic feld modelling and spectroscopic
techniques with high-resolution observations and measurements, we show
that the solar wind variability detected in situ by Solar Orbiter in March
2022 is driven by spatio-temporal changes in the magnetic connectivity to
multiple sources in the solar atmosphere. The magnetic feld footpoints
connected to the spacecraft moved from the boundaries of a coronal hole
to one active region (12961) and then across to another region (12957). This
is refected in the in situ measurements, which show the transition from fast
to highly Alfvénic then to slow solar wind that is disrupted by the arrival of
a coronal mass ejection. Our results describe solar wind variability at 0.5 au
but are applicable to near-Earth observatories.
Slide 1: Title Slide
Extrachromosomal Inheritance
Slide 2: Introduction to Extrachromosomal Inheritance
Definition: Extrachromosomal inheritance refers to the transmission of genetic material that is not found within the nucleus.
Key Components: Involves genes located in mitochondria, chloroplasts, and plasmids.
Slide 3: Mitochondrial Inheritance
Mitochondria: Organelles responsible for energy production.
Mitochondrial DNA (mtDNA): Circular DNA molecule found in mitochondria.
Inheritance Pattern: Maternally inherited, meaning it is passed from mothers to all their offspring.
Diseases: Examples include Leber’s hereditary optic neuropathy (LHON) and mitochondrial myopathy.
Slide 4: Chloroplast Inheritance
Chloroplasts: Organelles responsible for photosynthesis in plants.
Chloroplast DNA (cpDNA): Circular DNA molecule found in chloroplasts.
Inheritance Pattern: Often maternally inherited in most plants, but can vary in some species.
Examples: Variegation in plants, where leaf color patterns are determined by chloroplast DNA.
Slide 5: Plasmid Inheritance
Plasmids: Small, circular DNA molecules found in bacteria and some eukaryotes.
Features: Can carry antibiotic resistance genes and can be transferred between cells through processes like conjugation.
Significance: Important in biotechnology for gene cloning and genetic engineering.
Slide 6: Mechanisms of Extrachromosomal Inheritance
Non-Mendelian Patterns: Do not follow Mendel’s laws of inheritance.
Cytoplasmic Segregation: During cell division, organelles like mitochondria and chloroplasts are randomly distributed to daughter cells.
Heteroplasmy: Presence of more than one type of organellar genome within a cell, leading to variation in expression.
Slide 7: Examples of Extrachromosomal Inheritance
Four O’clock Plant (Mirabilis jalapa): Shows variegated leaves due to different cpDNA in leaf cells.
Petite Mutants in Yeast: Result from mutations in mitochondrial DNA affecting respiration.
Slide 8: Importance of Extrachromosomal Inheritance
Evolution: Provides insight into the evolution of eukaryotic cells.
Medicine: Understanding mitochondrial inheritance helps in diagnosing and treating mitochondrial diseases.
Agriculture: Chloroplast inheritance can be used in plant breeding and genetic modification.
Slide 9: Recent Research and Advances
Gene Editing: Techniques like CRISPR-Cas9 are being used to edit mitochondrial and chloroplast DNA.
Therapies: Development of mitochondrial replacement therapy (MRT) for preventing mitochondrial diseases.
Slide 10: Conclusion
Summary: Extrachromosomal inheritance involves the transmission of genetic material outside the nucleus and plays a crucial role in genetics, medicine, and biotechnology.
Future Directions: Continued research and technological advancements hold promise for new treatments and applications.
Slide 11: Questions and Discussion
Invite Audience: Open the floor for any questions or further discussion on the topic.
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.
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.
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.
Lateral Ventricles.pdf very easy good diagrams comprehensive
Fragmentation techniques in mass spectroscopy
1. FRAGMENTATION TECHNIQUES IN
MASS SPECTROSCOPY
Prepared by
MAHENDRA.G.S
1 M pharm
Department of Pharmaceutical chemistry
J S S College of Pharmacy
Mysuru
2. Definition:
It is a powerful analytical technique useful for
determination of molecular weight of compound.
Principle:
Initially in mass spectroscopy the sample must be
converted into vapourised or gaseous form then it
undergo ionization to form a molecular ion with
the liberation of 1e-.
This molecular ion normally undergoes
fragmentation to form several fragmented ions or
daughter ions.
3. The process of breaking up of molecular ion into
smaller or daughter ions is known as
“fragmentation”.
The molecular ion commonly decomposes to a pair
of fragments, which may be either a radical with an
ion or a small molecule & a radical cation.
4. Bombardment of molecules by a electron beam
with energy between 10-15ev usually results in
the ionization of molecules by removal of one
electron (molecular ion formation).
When the energy of electron beam is increased
between 50-7ev, these molecular ions acquire a
high excitation resulting in their break down
into various fragments.
5. Fragmentation of the molecular ion takes place in
following mods:
Simple cleavage
1. Homolytic cleavage
2. Heterolytic cleavage
3. Semi heterolytic cleavage
Rearrangement reactions
1. Elimination reactions
2. Ortho reaction
3. Mc-lafferty rearrangement
6. In hemolytic cleavage the electrons are equally
transferred to both atoms & it forms radical and
cation.
R
H2C
CH
CH2
R
H2C
CH
CH2
R
+
CH
HC
CH2
IONISATION
HOMOLYTIC
CLEAVAGE
7. Fragmentation by movement of two electrons:
In this type of cleavage both the electrons of the
bond are taken over by one of the atoms; the
fragments are an even electron cation and a radical
with the positive charge residing on the alkyl
group.C4H9I
ionisation
CH3
CH2
+ I
C4H9I
HETEROLYTIC
CLEAVAGE
8. In this one electron bond cleavage takes place
resulting in formation of radical & cation.
C
H
H H
H
C
H
H H
H
CH3
+
H
IONISATION CLEAVAGE
9. It involves the cleavage of bonds and formation of
new bonds i.e., it requires changes to at least two
bonds.
So the produced ions are not structural units of
precursors.
Generally rearrangement leads to loss of smaller
molecules.
10. In his fragmentation hydrogen is obstructed by
hydroxyl group or halogen or acetate functional groups
results in the elimination of water or neutral molecule.
R – CH2 – CH2 –CH2 R – CH2 – CH2 – CH2
+
OCOCH3
OCOCH3
CH3COOH + R – CH2 – CH
= CH2
11. In the case of substituted aromatic compounds the
substitute & carbon come into proximity has help in
elimination of neutral molecule. This effect is called ortho
effect.
O
O
CH3
CH3
O
O
CH3
C
H2
C
O
CH2
+
OCH3
H
C
C
C
O
CH2
+ CH3OH
methyl 2-methylbenzoate
methyl 2-methylbenzoate ion
(6-methylenecyclohexa-2,4-
dienylidene)methanone
H
12. The loss of an alkene fragment by cyclic
rearrangement of a carbonyl compounds ( like
aldehyde, ketones, acids, esters, amines),
unsaturated compounds with γ-hydrogens
undergo Mc-Lafferty rearrangement.
Or
It involves the migration of γ-hydrogen atom
followed by cleavage of β-bond then
rearrangement leads to the elimination of neutral
molecule.
13. Fragmentation takes place only at γ-hydrogen
Then this hydrogen is obstructed by oxygen of
carbonyl group or unsaturated compound.
Carbonyl group is converted to hydroxyl group
Bond break down between α & β carbons resulting in
liberation of 2e-’s then rearrangement takes place to
form a simple alkene.
17. REFERENCES:
Instrumental methods of chemical analysis- B.K
Sharma,
Instrumental methods of analysis By Chatwal,
Principles of Instrumental analysis By Donglas
Skoog
