Infrared spectroscopy involves analyzing how infrared light interacts with molecules. It can be used to analyze organic and inorganic samples in liquid, solid, and gas phases. IR spectroscopy identifies functional groups and structures by detecting the vibrational and rotational frequencies of covalent bonds as they absorb infrared radiation. This technique is commonly employed to determine molecular structure, identify substances, study reaction progress, detect impurities, and perform quantitative analysis.
Introduction, classification, isolation, purification, biological activity of alkaloids, general methods of structural determination of alkaloids, structural elucidation of Morphine, Reserpine and Emetine
Presented by Shikha Popali and Harshpal singh Wahi students from Gurunanak college of pharmacy, Nagpur in Department of pharmaceutical Chemistry. The explained topic is seful for every chemistry student and for others too
Flash Chromatography is a rapid form of preparative column chromatography based on an optimized pre-packed column through which is pumped solvent at a high flow rate.
The basic theory involved in the flash chromatography is similar to column chromatography except the involvement of pressure.
In column chromatography the flow of mobile phase is due to the gravitational force.
In flash chromatography the flow of mobile phase is under the influence of pressure.
Introduction, classification, isolation, purification, biological activity of alkaloids, general methods of structural determination of alkaloids, structural elucidation of Morphine, Reserpine and Emetine
Presented by Shikha Popali and Harshpal singh Wahi students from Gurunanak college of pharmacy, Nagpur in Department of pharmaceutical Chemistry. The explained topic is seful for every chemistry student and for others too
Flash Chromatography is a rapid form of preparative column chromatography based on an optimized pre-packed column through which is pumped solvent at a high flow rate.
The basic theory involved in the flash chromatography is similar to column chromatography except the involvement of pressure.
In column chromatography the flow of mobile phase is due to the gravitational force.
In flash chromatography the flow of mobile phase is under the influence of pressure.
Analog design is usually defined as the modification of a drug molecule or of any bioactive compound in order to prepare a new molecule showing chemical and biological similarity with the original model compound
MERITS OF MICROWAVE ASSISTED REACTIONS
DEMERITS OF MICROWAVE ASSISTED REACTIONS
MECHANISM OF MICROWAVE HEATING
EFFECTS OF SOLVENTS IN MICROWAVE ASSISTED SYNTHESIS
MICROWAVE VERSUS CONVENTIONAL SYNTHESIS
MICROWAVE INSTRUMENTATION
VARIOUS TYPES OF MICROWAVE ASSISTED ORGANIC REACTIONS
APPLICATIONS OF MICROWAVE ASSISTED REACTIONS
Extraction, isolation and structure elucidation of flavonoids: QuercetinMohammad Khalid
Extraction, isolation and structure elucidation of- Flavonoids Quercetin
Introduction
FLAVONOIDS & THEIR EXAMPLES
Quercetin
general isolation method
Extraction and isolation
Extraction from neem leaves
Isolation of Quercetin Methanolic Extract of Azadirachta indica leaves
Structure elucidation of Quercetin
Health benefits
Side Effects of Quercetin
Active constituent of drugs used in diabetic therapyAkshay Kank
In this slide the active constituents which is isolated from herbal sources used for to treat the type 1 and type 2 diabetes is covered. 'Gymnema' and 'swerita chirata' herbal plant is also covered in the slide.This work help in to focus the herbal emphasis on diabetes.
Penicillin, one of the first and still one of the most widely used antibiotic agents, is derived from the penicillium mold. In 1928 Scottish bacteriologist alexander fleming in a contaminated green mold penicillium notatum. He isolated the mold, grew it in a fluid medium, and found that it produced a substance capable of killing many of the common bacteria that infect humans. Australian pathologist howard florey and British biochemist ernst Boris chain isolated and purified penicillin in the late 1930s, and by 1941 an injectable form of the drug was available for therapeutic use.
Penicillin's are beta lactam antibiotics and characterized by three fundamental structural requirements
The fused beta-lactam and thiazolidine ring structure.
free carboxylic acid group.
And one or more substituted acylamino side chain.
Penam nucleus: 7-oxo-l-thia-4-azabicyclo [3.2.0] heptane
Absolute configuration: 3-S, 5-R, 6-R.
Instrumental methods of characterization:
FTIR
MASS
C13-NMR
1H-NMR
FTIR: -
Penicillin G molecule and its IR spectra in D2 O and in DMSO. Spectra are characterized by the presence of three intense bands.
β- lactam CO stretching observe at 1761 cm-1 in D2O and 1762 cm-1 in DMSO solution.
Amide group is observe at 1640 cm-1 in D2O and 1674 cm-1 in DMSO solution.
Asymmetric stretching of carboxylate group is observe at 1601 cm-1 in D20 and 1615 cm-1 in DMSO solution.
A large red shift of amide , out of the frequency window, is observed upon proton exchange in DMSO.
Collision-Induced Dissociation (CID) technique
MASS:-
A high-resolution, hybrid tandem mass spectrometer was used to obtain CID spectra. The CID spectra were acquired by:
Mass selecting the precursor ions using the first mass spectrometer.
Injecting the ions into the first quadrupole (collision cell) where they undergo CID.
Mass-analyzing the fragment ions produced using the second quadrupole.
Argon was used as the collision gas, and the pressure in the collision cell was adjusted to attenuate the precursor ion intensity to 20-50% of the original intensity. The collision energy of the ions ranged from 160 to 180 eV. The mass spectra shown abundant fragmentations at m/z 160 and m/z 176 that were reported to arise from cleavage of the β-lactam ring.
protonated benzyl penicillin exhibits abundant fragment ions at m/z 160, m/z 176, m/z 217, m/z 128, and m/z 289. The most abundant CID fragment at m/z 160 and the molecular ion peak was observed at m/z 334.
C13-NMR: -
The four sp3 ring carbons give rise to resonances in the decreasing chemical shift order C-3, C-5, C-2 and C-6.
Chemical shift for C-2 is 64.9 ppm and the substituents attached with it are α-methyl 27.0 ppm and β-methyl 31.4 ppm. Chemical shift for C-3 is 73.6 ppm and 174.5 ppm for carboxylate functions (reflecting the smaller de-shielding influence of COOH over that of COO-). The chemic shift for C-5 is 67.2 ppm. The chemic shift for C-6 is 58.4 ppm.
The lactam group shows its chemical shift at 175.0 ppm
Amino group
Ion exclusion chromatography is a technique,introduced by Wheaton and Bauman, used to separate ionic compounds from non-ionic compounds and to separate mixtures of acids.
IR SPECTROSCOPY-INTRODUCTION, PRINCIPLE, TYPE OF VIBRATIONS, INSTRUMENTATION, APPLICATION{ FOR the m.pharm 1st year 2019
Presented by DIPSANKAR BERA(M.PHARM STUDENT)
Analog design is usually defined as the modification of a drug molecule or of any bioactive compound in order to prepare a new molecule showing chemical and biological similarity with the original model compound
MERITS OF MICROWAVE ASSISTED REACTIONS
DEMERITS OF MICROWAVE ASSISTED REACTIONS
MECHANISM OF MICROWAVE HEATING
EFFECTS OF SOLVENTS IN MICROWAVE ASSISTED SYNTHESIS
MICROWAVE VERSUS CONVENTIONAL SYNTHESIS
MICROWAVE INSTRUMENTATION
VARIOUS TYPES OF MICROWAVE ASSISTED ORGANIC REACTIONS
APPLICATIONS OF MICROWAVE ASSISTED REACTIONS
Extraction, isolation and structure elucidation of flavonoids: QuercetinMohammad Khalid
Extraction, isolation and structure elucidation of- Flavonoids Quercetin
Introduction
FLAVONOIDS & THEIR EXAMPLES
Quercetin
general isolation method
Extraction and isolation
Extraction from neem leaves
Isolation of Quercetin Methanolic Extract of Azadirachta indica leaves
Structure elucidation of Quercetin
Health benefits
Side Effects of Quercetin
Active constituent of drugs used in diabetic therapyAkshay Kank
In this slide the active constituents which is isolated from herbal sources used for to treat the type 1 and type 2 diabetes is covered. 'Gymnema' and 'swerita chirata' herbal plant is also covered in the slide.This work help in to focus the herbal emphasis on diabetes.
Penicillin, one of the first and still one of the most widely used antibiotic agents, is derived from the penicillium mold. In 1928 Scottish bacteriologist alexander fleming in a contaminated green mold penicillium notatum. He isolated the mold, grew it in a fluid medium, and found that it produced a substance capable of killing many of the common bacteria that infect humans. Australian pathologist howard florey and British biochemist ernst Boris chain isolated and purified penicillin in the late 1930s, and by 1941 an injectable form of the drug was available for therapeutic use.
Penicillin's are beta lactam antibiotics and characterized by three fundamental structural requirements
The fused beta-lactam and thiazolidine ring structure.
free carboxylic acid group.
And one or more substituted acylamino side chain.
Penam nucleus: 7-oxo-l-thia-4-azabicyclo [3.2.0] heptane
Absolute configuration: 3-S, 5-R, 6-R.
Instrumental methods of characterization:
FTIR
MASS
C13-NMR
1H-NMR
FTIR: -
Penicillin G molecule and its IR spectra in D2 O and in DMSO. Spectra are characterized by the presence of three intense bands.
β- lactam CO stretching observe at 1761 cm-1 in D2O and 1762 cm-1 in DMSO solution.
Amide group is observe at 1640 cm-1 in D2O and 1674 cm-1 in DMSO solution.
Asymmetric stretching of carboxylate group is observe at 1601 cm-1 in D20 and 1615 cm-1 in DMSO solution.
A large red shift of amide , out of the frequency window, is observed upon proton exchange in DMSO.
Collision-Induced Dissociation (CID) technique
MASS:-
A high-resolution, hybrid tandem mass spectrometer was used to obtain CID spectra. The CID spectra were acquired by:
Mass selecting the precursor ions using the first mass spectrometer.
Injecting the ions into the first quadrupole (collision cell) where they undergo CID.
Mass-analyzing the fragment ions produced using the second quadrupole.
Argon was used as the collision gas, and the pressure in the collision cell was adjusted to attenuate the precursor ion intensity to 20-50% of the original intensity. The collision energy of the ions ranged from 160 to 180 eV. The mass spectra shown abundant fragmentations at m/z 160 and m/z 176 that were reported to arise from cleavage of the β-lactam ring.
protonated benzyl penicillin exhibits abundant fragment ions at m/z 160, m/z 176, m/z 217, m/z 128, and m/z 289. The most abundant CID fragment at m/z 160 and the molecular ion peak was observed at m/z 334.
C13-NMR: -
The four sp3 ring carbons give rise to resonances in the decreasing chemical shift order C-3, C-5, C-2 and C-6.
Chemical shift for C-2 is 64.9 ppm and the substituents attached with it are α-methyl 27.0 ppm and β-methyl 31.4 ppm. Chemical shift for C-3 is 73.6 ppm and 174.5 ppm for carboxylate functions (reflecting the smaller de-shielding influence of COOH over that of COO-). The chemic shift for C-5 is 67.2 ppm. The chemic shift for C-6 is 58.4 ppm.
The lactam group shows its chemical shift at 175.0 ppm
Amino group
Ion exclusion chromatography is a technique,introduced by Wheaton and Bauman, used to separate ionic compounds from non-ionic compounds and to separate mixtures of acids.
IR SPECTROSCOPY-INTRODUCTION, PRINCIPLE, TYPE OF VIBRATIONS, INSTRUMENTATION, APPLICATION{ FOR the m.pharm 1st year 2019
Presented by DIPSANKAR BERA(M.PHARM STUDENT)
UV-Visible spectroscopy is considered as an important tool in the analytical chemistry.
Most powerful tool available for the study of atomic and molecular structure.
- Most commonly used techniques in clinical as well as chemical laboratories.
- Used for the qualitative analysis and identification of chemicals.
ain use is for quantitative determination of different organic and inorganic compounds in solution.
Basically, spectroscopy is related to the interaction of light with matter.
As light is absorbed by matter, the result is an increase in the energy content of the atoms or molecules.
The absorption of visible or ultraviolet light by a chemical compound will produce a distinct spectrum.
UV-Visible light range- 200-800 nm
Visible range: 400-800 nm
UV range: 200-400 nm
details about uv-visible spectroscopy. intoduction to uv-visible spectroscopy with principle,
instrumentation, application, beers lamberts law , detectors. helps to know details about uv-visible spectroscopy. complete notes of uv-visible spectroscopy.
bhutnashak is india's number one constipation churna .its action starts within 2 to 3 hours after oral use.it provides relief from all types of constipation.it is non habit forming and recommended for all family members.
Couples presenting to the infertility clinic- Do they really have infertility...Sujoy Dasgupta
Dr Sujoy Dasgupta presented the study on "Couples presenting to the infertility clinic- Do they really have infertility? – The unexplored stories of non-consummation" in the 13th Congress of the Asia Pacific Initiative on Reproduction (ASPIRE 2024) at Manila on 24 May, 2024.
The prostate is an exocrine gland of the male mammalian reproductive system
It is a walnut-sized gland that forms part of the male reproductive system and is located in front of the rectum and just below the urinary bladder
Function is to store and secrete a clear, slightly alkaline fluid that constitutes 10-30% of the volume of the seminal fluid that along with the spermatozoa, constitutes semen
A healthy human prostate measures (4cm-vertical, by 3cm-horizontal, 2cm ant-post ).
It surrounds the urethra just below the urinary bladder. It has anterior, median, posterior and two lateral lobes
It’s work is regulated by androgens which are responsible for male sex characteristics
Generalised disease of the prostate due to hormonal derangement which leads to non malignant enlargement of the gland (increase in the number of epithelial cells and stromal tissue)to cause compression of the urethra leading to symptoms (LUTS
Ethanol (CH3CH2OH), or beverage alcohol, is a two-carbon alcohol
that is rapidly distributed in the body and brain. Ethanol alters many
neurochemical systems and has rewarding and addictive properties. It
is the oldest recreational drug and likely contributes to more morbidity,
mortality, and public health costs than all illicit drugs combined. The
5th edition of the Diagnostic and Statistical Manual of Mental Disorders
(DSM-5) integrates alcohol abuse and alcohol dependence into a single
disorder called alcohol use disorder (AUD), with mild, moderate,
and severe subclassifications (American Psychiatric Association, 2013).
In the DSM-5, all types of substance abuse and dependence have been
combined into a single substance use disorder (SUD) on a continuum
from mild to severe. A diagnosis of AUD requires that at least two of
the 11 DSM-5 behaviors be present within a 12-month period (mild
AUD: 2–3 criteria; moderate AUD: 4–5 criteria; severe AUD: 6–11 criteria).
The four main behavioral effects of AUD are impaired control over
drinking, negative social consequences, risky use, and altered physiological
effects (tolerance, withdrawal). This chapter presents an overview
of the prevalence and harmful consequences of AUD in the U.S.,
the systemic nature of the disease, neurocircuitry and stages of AUD,
comorbidities, fetal alcohol spectrum disorders, genetic risk factors, and
pharmacotherapies for AUD.
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Title: Sense of Taste
Presenter: Dr. Faiza, Assistant Professor of Physiology
Qualifications:
MBBS (Best Graduate, AIMC Lahore)
FCPS Physiology
ICMT, CHPE, DHPE (STMU)
MPH (GC University, Faisalabad)
MBA (Virtual University of Pakistan)
Learning Objectives:
Describe the structure and function of taste buds.
Describe the relationship between the taste threshold and taste index of common substances.
Explain the chemical basis and signal transduction of taste perception for each type of primary taste sensation.
Recognize different abnormalities of taste perception and their causes.
Key Topics:
Significance of Taste Sensation:
Differentiation between pleasant and harmful food
Influence on behavior
Selection of food based on metabolic needs
Receptors of Taste:
Taste buds on the tongue
Influence of sense of smell, texture of food, and pain stimulation (e.g., by pepper)
Primary and Secondary Taste Sensations:
Primary taste sensations: Sweet, Sour, Salty, Bitter, Umami
Chemical basis and signal transduction mechanisms for each taste
Taste Threshold and Index:
Taste threshold values for Sweet (sucrose), Salty (NaCl), Sour (HCl), and Bitter (Quinine)
Taste index relationship: Inversely proportional to taste threshold
Taste Blindness:
Inability to taste certain substances, particularly thiourea compounds
Example: Phenylthiocarbamide
Structure and Function of Taste Buds:
Composition: Epithelial cells, Sustentacular/Supporting cells, Taste cells, Basal cells
Features: Taste pores, Taste hairs/microvilli, and Taste nerve fibers
Location of Taste Buds:
Found in papillae of the tongue (Fungiform, Circumvallate, Foliate)
Also present on the palate, tonsillar pillars, epiglottis, and proximal esophagus
Mechanism of Taste Stimulation:
Interaction of taste substances with receptors on microvilli
Signal transduction pathways for Umami, Sweet, Bitter, Sour, and Salty tastes
Taste Sensitivity and Adaptation:
Decrease in sensitivity with age
Rapid adaptation of taste sensation
Role of Saliva in Taste:
Dissolution of tastants to reach receptors
Washing away the stimulus
Taste Preferences and Aversions:
Mechanisms behind taste preference and aversion
Influence of receptors and neural pathways
Impact of Sensory Nerve Damage:
Degeneration of taste buds if the sensory nerve fiber is cut
Abnormalities of Taste Detection:
Conditions: Ageusia, Hypogeusia, Dysgeusia (parageusia)
Causes: Nerve damage, neurological disorders, infections, poor oral hygiene, adverse drug effects, deficiencies, aging, tobacco use, altered neurotransmitter levels
Neurotransmitters and Taste Threshold:
Effects of serotonin (5-HT) and norepinephrine (NE) on taste sensitivity
Supertasters:
25% of the population with heightened sensitivity to taste, especially bitterness
Increased number of fungiform papillae
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Explore natural remedies for syphilis treatment in Singapore. Discover alternative therapies, herbal remedies, and lifestyle changes that may complement conventional treatments. Learn about holistic approaches to managing syphilis symptoms and supporting overall health.
Flu Vaccine Alert in Bangalore Karnatakaaddon Scans
As flu season approaches, health officials in Bangalore, Karnataka, are urging residents to get their flu vaccinations. The seasonal flu, while common, can lead to severe health complications, particularly for vulnerable populations such as young children, the elderly, and those with underlying health conditions.
Dr. Vidisha Kumari, a leading epidemiologist in Bangalore, emphasizes the importance of getting vaccinated. "The flu vaccine is our best defense against the influenza virus. It not only protects individuals but also helps prevent the spread of the virus in our communities," he says.
This year, the flu season is expected to coincide with a potential increase in other respiratory illnesses. The Karnataka Health Department has launched an awareness campaign highlighting the significance of flu vaccinations. They have set up multiple vaccination centers across Bangalore, making it convenient for residents to receive their shots.
To encourage widespread vaccination, the government is also collaborating with local schools, workplaces, and community centers to facilitate vaccination drives. Special attention is being given to ensuring that the vaccine is accessible to all, including marginalized communities who may have limited access to healthcare.
Residents are reminded that the flu vaccine is safe and effective. Common side effects are mild and may include soreness at the injection site, mild fever, or muscle aches. These side effects are generally short-lived and far less severe than the flu itself.
Healthcare providers are also stressing the importance of continuing COVID-19 precautions. Wearing masks, practicing good hand hygiene, and maintaining social distancing are still crucial, especially in crowded places.
Protect yourself and your loved ones by getting vaccinated. Together, we can help keep Bangalore healthy and safe this flu season. For more information on vaccination centers and schedules, residents can visit the Karnataka Health Department’s official website or follow their social media pages.
Stay informed, stay safe, and get your flu shot today!
These simplified slides by Dr. Sidra Arshad present an overview of the non-respiratory functions of the respiratory tract.
Learning objectives:
1. Enlist the non-respiratory functions of the respiratory tract
2. Briefly explain how these functions are carried out
3. Discuss the significance of dead space
4. Differentiate between minute ventilation and alveolar ventilation
5. Describe the cough and sneeze reflexes
Study Resources:
1. Chapter 39, Guyton and Hall Textbook of Medical Physiology, 14th edition
2. Chapter 34, Ganong’s Review of Medical Physiology, 26th edition
3. Chapter 17, Human Physiology by Lauralee Sherwood, 9th edition
4. Non-respiratory functions of the lungs https://academic.oup.com/bjaed/article/13/3/98/278874
These lecture slides, by Dr Sidra Arshad, offer a quick overview of physiological basis of a normal electrocardiogram.
Learning objectives:
1. Define an electrocardiogram (ECG) and electrocardiography
2. Describe how dipoles generated by the heart produce the waveforms of the ECG
3. Describe the components of a normal electrocardiogram of a typical bipolar leads (limb II)
4. Differentiate between intervals and segments
5. Enlist some common indications for obtaining an ECG
Study Resources:
1. Chapter 11, Guyton and Hall Textbook of Medical Physiology, 14th edition
2. Chapter 9, Human Physiology - From Cells to Systems, Lauralee Sherwood, 9th edition
3. Chapter 29, Ganong’s Review of Medical Physiology, 26th edition
4. Electrocardiogram, StatPearls - https://www.ncbi.nlm.nih.gov/books/NBK549803/
5. ECG in Medical Practice by ABM Abdullah, 4th edition
6. ECG Basics, http://www.nataliescasebook.com/tag/e-c-g-basics
- Video recording of this lecture in English language: https://youtu.be/lK81BzxMqdo
- Video recording of this lecture in Arabic language: https://youtu.be/Ve4P0COk9OI
- Link to download the book free: https://nephrotube.blogspot.com/p/nephrotube-nephrology-books.html
- Link to NephroTube website: www.NephroTube.com
- Link to NephroTube social media accounts: https://nephrotube.blogspot.com/p/join-nephrotube-on-social-media.html
1. infrared Spectroscopy (IR)
It is the analysis of infrared light interacting
with a molecule.
This can be analyzed in three ways by
measuring absorption, emission and
reflection. The main use of this technique is in
organic and inorganic chemistry.
infrared region most useful for analysis of
organic compounds is wavelength range from
2,500 to 16,000 nm, with a corresponding
frequency range from 1.9*1013 to 1.2*1014 Hz.
2. Photon energies associated with this part of the
infrared (from 1 to 15 kcal/mole) are not large
enough to excite electrons, but may induce
vibrational excitation of covalently bonded atoms
and groups.
covalent bonds in molecules are more like stiff
springs that can be stretched and bent.
all organic compounds will absorb infrared radiation
that corresponds in energy to these vibrations.
Thus a sample that did not absorb at all would
record a horizontal line at 100% transmittance (top of
the chart).
3. The frequency scale at the bottom of the chart is given in
units of reciprocal centimeters (cm-1) rather than Hz,
because the numbers are more manageable.
The reciprocal centimeter is the number of wave cycles in
one centimeter;
whereas, frequency in cycles per second or Hz is equal to
the number of wave cycles in 3*1010 cm (the distance
covered by light in one second).
Infrared spectra may be obtained from samples in all
phases (liquid, solid and gaseous).
Liquids are usually examined as a thin film sandwiched
between two polished salt plates (note that glass absorbs
infrared radiation, whereas NaCl is transparent).
4. If solvents are used to dissolve solids, care must
be taken to avoid obscuring important spectral
regions by solvent absorption. Perchlorinated
solvents such as carbon tetrachloride, chloroform
and tetrachloroethene are commonly used.
Alternatively, solids may either be incorporated
in a thin KBr disk, prepared under high pressure, or
mixed with a little non-volatile liquid and ground to
a paste (or mull) that is smeared between salt
plates.
5. IR radiation causes the excitation of the vibrations
of covalent bonds within that molecule. These
vibrations include the stretching and bending
modes.
Number of vibrational modes-
In order for a vibrational mode in a sample to be
"IR active", it must be associated with changes in
the dipole moment. A permanent dipole is not
necessary, as the rule requires only a change in
dipole moment.
A molecule can vibrate in many ways, and each way
is called a vibrational mode.
6. For molecules with N number of atoms, linear
molecules have 3N – 5 degrees of vibrational modes,
whereas nonlinear molecules have 3N – 6 degrees
of vibrational modes (also called vibrational degrees
of freedom).
As an example H2O, a non-linear molecule, will
have 3 × 3 – 6 = 3 degrees of vibrational freedom, or
modes
7. Simple diatomic molecules have only one bond
and only one vibrational band.
If the molecule is symmetrical, e.g. N2, the band
is not observed in the IR spectrum, but only in the
Raman spectrum.
Asymmetrical diatomic molecules, e.g. CO,
absorb in the IR spectrum.
More complex molecules have many bonds, and
their vibrational spectra are correspondingly more
complex, i.e. big molecules have many peaks in
their IR spectra. atom, can vibrate in nine different
ways.
9. in water, the rocking, wagging, and twisting
modes do not exist because these types of motions
of the H represent simple rotation of the whole
molecule rather than vibrations within it.
An IR spectrum show the energy absorptions as
one 'scans' the IR region of the EM spectrum. As
an example, the IR spectrum of butanal is shown
below.
In general terms it is convenient to split an IR
spectrum into two approximate regions:
4000-1000 cm-1 known as the functional group
region, and
< 1000 cm-1 known as the fingerprint region
10. Most of the information that is used to interpret
an IR spectrum is obtained from the functional
group region.
In practice, it is the polar covalent bonds than are
IR "active" and whose excitation can be observed
in an IR spectrum.
In organic molecules these polar covalent bonds
represent the functional groups.
Hence, the most useful information obtained
from an IR spectrum is what functional groups
are present within the molecul
11. some functional groups can be "viewed"
as combinations of different bond
types. For example, an ester, CO2R
contains both C=O and C-O bonds, and
both are typically seen in an IR spectrum
of an ester.
In the fingerprint region, the spectra
tend to be more complex and much
harder to assign.
12.
13. IR spectroscopy
the infrared spectrum of a sample is recorded by passing a beam of
infrared light through the sample. When the frequency of the IR is
the same as the vibrational frequency of a bond or collection of
bonds, absorption occurs. Examination of the transmitted light
reveals how much energy was absorbed at each frequency (or
wavelength). This measurement can be achieved by scanning the
wavelength range using a monochromator. Alternatively, the entire
wavelength range is measured using a Fourier
transform instrument and then a transmittance or
absorbance spectrum is generated using a dedicated procedure.
This technique is commonly used for analyzing samples with
covalent bonds. Simple spectra are obtained from samples with
few IR active bonds and high levels of purity. More complex
molecular structures lead to more absorption bands and more
complex spectra.
14. Sample preparation-
Gaseous samples require a sample cell with a long path
length to compensate for the diluteness. The path length of
the sample cell depends on the concentration of the
compound of interest. A simple glass tube with length of 5
to 10 cm equipped with infrared-transparent windows at
the both ends of the tube can be used for concentrations
down to several hundred ppm.
Liquid samples can be sandwiched between two plates of
a salt (commonly sodium chloride, or common salt,
although a number of other salts such as potassium
bromide or calcium fluoride are also used). The plates are
transparent to the infrared light and do not introduce any
lines onto the spectra.
15. Solid samples can be prepared in a variety of ways.
One common method is to crush the sample with
an oily mulling agent (usually mineral oil Nujol). A
thin film of the mull is applied onto salt plates and
measured. The second method is to grind a
quantity of the sample with a specially purified salt
(usually potassium bromide) finely (to remove
scattering effects from large crystals). This powder
mixture is then pressed in a mechanical press to
form a translucent pellet through which the beam
of the spectrometer can pass
16. Comparing to a reference
It is typical to record spectrum of both the sample
and a "reference". This step controls for a number
of variables, e.g.IR detector, which may affect the
spectrum. The reference measurement makes it
possible to eliminate the instrument influence. The
simplest reference measurement is to simply
remove the sample (replacing it by air). However,
sometimes a different reference is more useful. For
example, if the sample is a dilute solute dissolved
in water in a beaker, then a good reference
measurement might be to measure pure water in
the same beaker.
17. Absorption bands
IR spectroscopy is often used to identify structures
because functional groups give rise to characteristic bands
both in terms of intensity and position (frequency). The
positions of these bands are summarized in correlation
tables as shown below.
18. IR Instrumentation
The main parts of IR spectrometer are as follows:
radiation source
sample cells and sampling of substances
Monochromators
detectors
Recorder
IR radiation sources--IR instruments require a source of radiant
energy which emit IR radiation which must be steady, intense
enough for detection and extend over the desired wavelength.
Various sources of IR radiations are as follows.
a) Nernst glower
b) Incandescent lamp
c) Mercury arc
d) Tungsten lamp
e) Glober source
f) Nichrome wire
19. sample cells and sampling of substances-IR spectroscopy
has been used for the characterization of solid, liquid or
gas samples.
Monochromators – Various types of monochromators are
prism, gratings and filters. Prisms are made of Potassium
bromide, Sodium chloride or Caesium iodide. Filters are
made up of Lithium Fluoride and Diffraction gratings are
made up of alkali halides.
Detectors – Detectors are used to measure the intensity of
unabsorbed infrared radiation. Detectors like
thermocouples, Bolometers, thermisters, Golay cell, and
pyro-electric detectors are used.
20.
21. APPLICATIONS OF IR SPECTROSCOPY
1.Identification of functional group and structure
elucidation
2. Identification of substances
IR spectroscopy is used to establish whether a
given sample of an organic substance is identical
with another or not. This is because large number
of absorption bands is observed in the IR spectra
of organic molecules and the probability that any
two compounds will produce identical spectra is
almost zero. So if two compounds have identical IR
spectra then both of them must be samples of the
same substances.
22. 3. Studying the progress of the reaction
Progress of chemical reaction can be determined by
examining the small portion of the reaction mixture
withdrawn from time to time. The rate of disappearance of a
characteristic absorption band of the reactant group and/or
the rate of appearance of the characteristic absorption band
of the product group due to formation of product is
observed.
4. Detection of impurities
IR spectrum of the test sample to be determined is
compared with the standard compound. If any additional
peaks are observed in the IR spectrum, then it is due to
impurities present in the compound.
23. 5. Quantitative analysis
The quantity of the substance can be determined
either in pure form or as a mixture of two or more
compounds. In this, characteristic peak
corresponding to the drug substance is chosen and
log I0/It of peaks for standard and test sample is
compared. This is called base line technique to
determine the quantity of the substance.