Page 85 - AIH-1-2

Artificial Intelligence in Health Combating XDR-bacteria as we approach 2050

The urease assay is simple. Many organisms, especially based on Newton’s second law of motion, F = ma. In 1911,
those that infect the urinary tract, possess a urease enzyme J. J. Thomson determined the ratio of electrical charge to
capable of splitting urea in the presence of water to release the mass of an electron (e/m), which is 1811 times less than
ammonia and carbon dioxide, thereby increasing the that of a hydrogen ion. Francis W. Aston introduced the
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alkalinity of the medium. This alkaline shift causes the mass spectrograph and won the Nobel Prize in 1922.
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indicator phenol red to change from its original orange-
yellow color to bright pink. 2.8. Fourier transform infrared spectroscopy (FTIR)
of CU1
2.5. High-performance liquid chromatography The FTIR spectroscopy was conducted at the Central
purification of CU1
Instrument Facility at Bost Institute, India. The infrared
The HPLC analysis was conducted at the CSIR-Indian spectra provide information on the functional groups
Institute of Chemical Biology, Kolkata, and IIT-Mandi in present in a compound. Wave number (v cm ) is used
-1
Himachal Pradesh. For the analysis, 5 mg of the TLC- to measure the infrared absorption within the range
4,5
purified active sample was dissolved in 0.5 mL of methanol. of 4000 – 667 cm (2.5 – 15 µ wavelength or λ), where
-1
After filtration through a membrane filter, 0.1 mL of the v = E/hc and λ=1/v; c = velocity of light and h = Plank’s
sample was loaded onto an HPLC C-18 column pre- constant. A nonlinear molecule consisting of n atoms
equilibrated with methanol. has 3n-6 vibrational modes of stretching, rocking,
scissoring, wagging, and twisting, offering information
2.6. Elementary analysis of CU1 and NU2 on the functional groups of the molecule. Bending
Elementary analysis was conducted at the Indian vibrations occur at a lower wavenumber than stretching
Association for the Advancement of Science (IAAS), vibrations. Distinctive absorption bands are observed for
Kolkata. A total of 4 mg of pure CU1 antibiotic was different types of bonds: carbon triple bond absorption
-1
analyzed for its elemental composition using a Perkin at 2300 – 2000 cm ; carbon double bond absorption at
-1
-1
Elmer Elementary Analyzer and compared with the 1900 – 1500 cm ; and carbon single bond at 1300 – 800 cm ;
standard. The obtained data included the percentage (%) O-H stretching absorption at 3570 cm ; C-H stretching
-1
of carbon and hydrogen. The percentage (%) of oxygen is at 3030 – 2860 cm ; C-H bending at approximately
-1
-1
-1
calculated using Equation I: 1460 cm ; C=O stretching at approximately 1725 cm ;
N-H stretching at 3500 cm ; N-H bending at approximately
-1
%O = 100%−(%C+%H) (I)
1650 cm ; C-N stretching absorption at 1350 cm ; and
-1
-1
Our result revealed a notably high oxygen content in C=N at approximately 2200 cm . For the analysis, 5 mg
-1
CU1 and NU2. In addition, we identified halogen in the HPLC-purified dry active chemical was mixed with 200 mg
structure, confirmed through mass spectroscopy, and IR-grade KBr, and a tablet was prepared using a 13-mm die
further supported by nuclear magnetic resonance (NMR) set (Kimaya Engineers, India) at a pressure of 10 kg/cm .
2
spectra. Spectra were obtained using a Perkin Elmer Spectrum 100
FT-IR Spectrometer (serial no. 80944) for 10 min. 22
2.7. Mass spectroscopy of CU1
Mass spectroscopy was conducted at the Central Instrument 2.9. Nuclear magnetic resonance spectroscopy
Facility of Bose Institute and the Indian Institute of of CU1
Science, India. A mass spectrum presents an intensity 3 H-NMR and 13 C-NMR analyses were performed at
versus m/z (mass-to-charge ratio) plot (histogram), IIT-Mandi, Himachal Pradesh, North India, and Bose
which is unique for each plant alkaloid. Typically, a pure Institute. Nuclear magnetic resonance is a spectroscopic
chemical sample is bombarded by a laser, and the resulting technique employed to detect local magnetic moments
positively charged particles are detected by a high-intensity around odd atomic nuclei when bombarded with radio
magnet, separating molecular ions and their fragments waves. The most commonly used small molecules are
using a mass spectrometer. This instrument comprises hydrogen ( H) and carbon ( C) but B, F, Na, P, Cl,
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1
19
23
35
31
13
three main components: an ion source, a mass analyzer, etc. also been studied using NMR. At a low energy radio
and an artificial intelligence (AI)-guided detector. The frequency, the nuclei magnetic spin quantum energy is
common fragmentation processes for organic molecules represented by Equation II:
are McLafferty rearrangement and alpha cleavage, which
represent unique multiline graphs that aid in identifying E = −γmhB 0 (II)
a similar molecule and its derivatives. Lighter ions get Where B is the field strength, m = Magnetic spin
0
deflected by the magnetic force more than heavier ions quantum number, γ = Gyromagnetic ratio, and h is Plank’s
Volume 1 Issue 2 (2024) 79 doi: 10.36922/aih.2284