Diverse applications of UV-VIS, IR

and NMR Spectroscopy:

INTRODUCTION:

Modern procedures of in situ spectroscopy are being increasingly

applied to the preparation and selection of suitable reaction
networks, the determination of the stoichiometry of individual
intermediate steps of a network, and the identification and
characterization of active centers, intermediates, the activation
processes of the reactants, and the surface reactions. The picture
exemplifies the changes in an IR spectrum during the course of a
reaction. The development of new solid catalysts for use in
industrial chemistry has hitherto been based to a large extent
upon the empirical testing of a wide range of different materials.
In only a few exceptional cases has success been achieved in
understanding the overall, usually very complex mechanism of
the chemical reaction through the elucidation of individual
intermediate aspects of a heterogeneously catalyzed reaction

g
 UV-VIS Spectroscopy :
Ultraviolet Visible spectroscopy (UV-Vis spectroscopy) is an
analytical technique, which measures the amount of discrete
wavelengths of ultraviolet-visible light absorbed or transmitted
through a sample in comparison to a blank or reference. It relies
on the use of light.Absorbance and transmittance properties are
influenced by composition of sample, providing information on
what is in the sample and in what concentration.

Applications of UV-Vis Spectroscopy Technique

The applications of UV-Vis spectroscopy are enormous. The
following are the main fields in which UV-Vis spectroscopy is
used:

• DNA & RNA analysis

• Pharmaceutical analysis
• Bacterial culture
• Beverage analysis
• Other applications

DNA & RNA analysis

Uv-Vis spectroscopy deals with the purity of nucleic acids.

• quick verification of concentration and purity of DNA

and RNA
•
• This is essential before preparation of DNA and RNA in
downstream applications like sequencing
• The 260 nm/280 nm absorbance ratio is essential to
display contamination in nucleic acids by proteins as the ratio
in pure DNA is 1.8 and that in pure RNA is 2.
 Pharmaceutical analysis
UV-Vis spectroscopy is an indispensable equipment in
production of pharmaceutics.

• Overlap of absorbance peaks in uv spectra can be used to

find out the pharmaceutical compounds using mathematical
derivatives
• Chlortetracycline (antibiotic) and benzocaine (anaesthetic)
are identified simultaneously in veterinary powder formulation
using first mathematical derivative
• By calibration function of each compound, simultaneous
quantification was done on micrograms per milliliter
concentration.

Bacterial culture
UV-Vis spectroscopy is essential in the biomass growth curve
studies.

• Routine OD measurements are taken at 600 nm for

estimation of cell concentration and growth tracking.
• 600 nm is chosen due to the optical properties of media
in which bacteria is growing and to avoid damage to the cells
when there is need for continuous experimentation.

Beverage analysis
Uv-Vis spectroscopy is also used in FMCG industries.

• Identification of particular components in drinks

• Quantification of caffeine content as they should be
within legal limit
• Identification of anthocyanin in blueberries, blackberries,
raspberries and cherries for quality control in wine
IR spectroscopy:
Infrared spectroscopy is widely used in industry as well as in
research. It is a simple and reliable technique for measurement,
quality control and dynamic measurement. It is also employed in
forensic analysis in civil and criminal analysis.entire IR region is
divided into group frequency region and fingerprint region.
Range of group frequency is 4000-1500 cm-1 while that of finger
print region is 1500-400 cm-1.
In group frequency region, the peaks corresponding to different
functional groups can be observed. According to corresponding
peaks, functional group can be determined.
Each atom of the molecule is connected by bond and each bond
requires different IR region so characteristic peaks are observed.
This region of IR spectrum is called as finger print region of the
molecule. It can be determined by characteristic peaks.

Applications of IR Spectroscopy Technique

Measuring environmental pollutants

High sensitivity and selectivity make IR Spectroscopy for
analysing complex mixtures. The technique has become a
mainstay in for environmental scientists, who use it to detect
industrial pollutants in the atmosphere. From monitoring air
quality in major cities such as London and Tokyo to tracking
methane concentrations in the Arctic, IR Spectroscopy offers a
wide range of applications for environmental science.
The development of medical libraries
Variations of IR Spectroscopy are making waves in the medical
sector, with a team of researchers from the Department of
Pathology & Laboratory Medicine at Aga Khan University in
Pakistan recently using Fourier Transform Infra-Red (FTIR)
Spectroscopy to develop a patient gallstone library.
“The library developed displayed good consistency and can be
used for detection of gallstone composition in Pakistan and
replace the traditional labour and time-intensive chemical method
of gallstone analysis,” reads the conclusion of the report
published in the medical journal, BMC Gastroenterology
Preserving contemporary artworks
Preserving contemporary artworks has recently emerged as a
novel use for IR Spectroscopy. In a study published in the journal
Scientific Reports, the authors introduce IR Spectroscopy as a
technique to detect and quantify plasticisers such as phthalates,
adipates, terephthalates and citrates in PVC objects of historic
value.
“Because of its versatility PVC has also been used as a material
for artworks and represents a significant part of modern and
contemporary collections. For the first time, a large and diverse
collection of more than 100 PVC objects in different degradation
stages and of diverse chemical compositions was analysed by
chromatographic and spectroscopic techniques to create a dataset
used to construct classification and regression models.
Accounting for this variety makes the model more robust and
reliable for the analysis of objects in museum collections
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.
NMR Spectroscopy :
Nuclear magnetic resonance (NMR) spectroscopy is the study of
molecules by recording the interaction of radiofrequency (Rf)
electromagnetic radiations with the nuclei of molecules placed in
a strong magnetic field.Zeeman first observed the strange
behaviour of certain nuclei when subjected to a strong magnetic
field at the end of the nineteenth century, but the practical use of
the so-called “Zeeman effect” was only made in the 1950s when
NMR spectrometers became commercially available.Nuclear
magnetic resonance (NMR) spectroscopy is a crucial analytical
tool for organic chemists. The research in the organic lab has
been significantly improved with the aid of the NMR. Not only
can it provide information on the structure of the molecule, it can
also determine the content and purity of the sample. Proton (1H)
NMR is one of the most widely used NMR methods by organic
chemists. The protons present in the molecule will behave
differently depending on the surrounding chemical environment,
making it possible to elucidate their structureThe first NMR
spectrum was first published in the same issue of the Physical
Review in January 1946. Bloch and Purcell were jointly awarded
the 1952 Nobel Prize in Physics for their research of Nuclear
Magnetic Resonance Spectroscopy.

Applications of NMR Spectroscopy Technique

MRI scans
Most people are familiar with Magnetic Resonance Imaging (MRI)
scans which use powerful magnetic fields and radio waves to
reveal detailed images of the internal organs. Data is generated
based on rates of absorption and energy emission recorded in the
radiofrequency (RF) range. The medical imaging technique is
 founded in NMR Spectroscopy and uses the same basic
principles

Identifying human disorders

When used alongside metabolomics data, NMR Spectroscopy is
an invaluable tool for identifying human disorders. The cellular
metabolism contains important biomarkers used to diagnose a
wide range of conditions, including tuberculosis, pneumonia and
malaria. NMR Spectroscopy allows researchers to identify these
tell-tale biomarkers and treat patients accordingly. The technique
can also be used to investigate Parkinson’s disease, as well as
cardiovascular diseases and a range of neuropsychiatric disorders
such as bipolar, schizophrenia, major depression and autism-
spectrum disorders

Cancer diagnosis
.

Over the past few decades, NMR Spectroscopy has become a key
technique for cancer diagnosis. The ability to analyse abnormal
behaviour in the cellular metabolism allows scientists to detect the
metabolite-based biomarkers associated with cancers.
Environmental monitoring
It’s not just the medical field where NMR Spectroscopy is
considered a valuable tool, with the technique also used for
environmental monitoring. Spectrometers are used to detect and
characterise contaminants in air, soil and water samples as well as
monitor the metabolic responses of organisms exposed to these
contaminants.
Drug discovery and development
.
 From trialling new cancer therapies to perfecting nutritional
supplements, NMR Spectroscopy is a mainstay in the drug
discovery and development arena.
Dr Robin J. Blagg, a representative from UK-based
manufacturing and research company Oxford Instruments, offers
more information on the latest NMR Spectroscopy techniques
and instruments in ‘X-Nuclei NMR Spectroscopy’.
Food quality control and research
.

Before hitting the consumer market, foods undergo strict quality

control and research studies. NMR Spectroscopy is widely used
across the industry to map protein structures, profile amino
acids, identify carotenoids and quantify metabolites.