Quantum mechanical NMR full spin analysis in pharmaceutical identity testing and quality control.

The production and consumption of paracetamol (4-acetaminophen), a common analgesic and antipyretic drug, had been increased substantially in recent years, elevating the risk of environmental exposure. As an emerging pollutant, this may affect different trophic levels irreversibly and persistently. In this current study, multiple bacterial strains were isolated from pharmaceutical industrial effluents based on paracetamol resistance and primarily screened by non-virulence. Strains PrS3 and PrS14 showed maximum bacterial growth using paracetamol as the sole carbon and nitrogen source. On the contrary, the highest %organic carbon removal efficiency was exhibited by PrS10. The isolates were identified as non-identical and related to the Pseudomonas genus by partial 16S rRNA gene sequencing. The spectrometric assay indicated PrS10 with the highest paracetamol degradation potential (96.37% removal in 7 days), whereas the GC-MS study confirmed 92.35% paracetamol degradation efficiency. The influence of different carbohydrates on paracetamol degradation indicated a competition between monosaccharide and paracetamol as an energy source for PrS10 and reduced degradation efficiency. Further, HR-MS analysis indicated both cell surface absorption as well as the internalization of paracetamol by PrS10. This study explored a probable biodegradation and bioremediation technique for paracetamol contaminants which could be integrated with the effluent treatment of paracetamol production. 

Paracetamol biodegradation by Pseudomonas strain PrS10 isolated from pharmaceutical effluents

Industrialization leads to the entry of diverse xenobiotic compounds into the environment. One such compound is paracetamol (APAP), which is emerging as a pharmaceutical and personal care pollutant (PPCP). In this study, the APAP degrading bacterium was isolated by enrichment culture method from the sewage sample. The microscopy, biochemical, and 16S rRNA gene sequence analyzed the isolate PPY-2, which belongs to Bacillus licheniformis, and GenBank assigned accession number MN744328. Physiological and batch culture degradation studies have indicated that the strain involved in the degradation of APAP. The optimum pH for degradation of the PPY-2 was 7.7, whereas the temperature was 25 °C, agitation speed was 142 rpm, and concentration of APAP was 621 mg/L reported, and the optimum temperatures were 42 °C and 32 °C, respectively. Biomass kinetic was studied at optimal physical conditions, which suggested that the specific growth rate (μ) was 721 mg/L. The GC–MS chromatogram peaks have detected metabolites, viz., oxalic acid, 2-isopropyl-5-methyl cyclohexanone, and phenothiazine. The study confirmed that Bacillus licheniformis strain PPY-2 exhibits metabolic potential to biodegradation APAP and can be further deployed in bioremediation. 

/pdf/characterization-and-biodegradation-of-paracetamol-by-3hp4bpuy.pdf

Characterization and biodegradation of paracetamol by biomass of Bacillus licheniformis strain PPY-2 isolated from wastewater

A sensitive and selective electrochemical sensor for the determination of paracetamol (acetaminophen) is proposed based on a polyglycine-coated glassy carbon electrode. The electrochemical behavior of paracetamol was studied by cyclic voltammetry and differential pulse voltammetry. Under optimal experimental conditions, the peak oxidation current of paracetamol increases linearly in the range of 0.5-75 μM. The limit of detection of paracetamol was 0.03 μM and the limit of quantitation was 0.09 μM. In addition, modified glassy carbon with polyglycine as the sensor was successfully used for the determination of paracetamol in antipyretic children's syrup samples, with a recovery rate of over 95.3%, showing its great application potential in drug analysis. 

Sensitive and selective determination of paracetamol in antipyretic children's syrup with a polyglycine modified glassy carbon electrode.

Most drugs are no longer produced in their own countries by the pharmaceutical companies, but by contract manufacturers or at manufacturing sites in countries that can produce more cheaply. This not only makes it difficult to trace them back but also leaves room for criminal organizations to fake them unnoticed. For these reasons, it is becoming increasingly difficult to determine the exact origin of drugs. The goal of this work was to investigate how exactly this is possible by using different spectroscopic methods like nuclear magnetic resonance and near- and mid-infrared spectroscopy in combination with multivariate data analysis. As an example, 56 out of 64 different paracetamol preparations, collected from 19 countries around the world, were chosen to investigate whether it is possible to determine the pharmaceutical company, manufacturing site, or country of origin. By means of suitable pre-processing of the spectra and the different information contained in each method, principal component analysis was able to evaluate manufacturing relationships between individual companies and to differentiate between production sites or formulations. Linear discriminant analysis showed different results depending on the spectral method and purpose. For all spectroscopic methods, it was found that the classification of the preparations to their manufacturer achieves better results than the classification to their pharmaceutical company. The best results were obtained with nuclear magnetic resonance and near-infrared data, with 94.6%/99.6% and 98.7/100% of the spectra of the preparations correctly assigned to their pharmaceutical company or manufacturer.

/pdf/tracing-the-origin-of-paracetamol-tablets-by-near-infrared-446ornzuvr.pdf

Tracing the origin of paracetamol tablets by near-infrared, mid-infrared, and nuclear magnetic resonance spectroscopy using principal component analysis and linear discriminant analysis

Distinguishing paracetamol formulations: Comparison of potentiometric "Electronic Tongue" with established analytical techniques.

Diffusion ordered NMR spectroscopy measurements as screening method of potential reactions of API and excipients in drug formulations

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Distinguishing paracetamol formulations: Comparison of potentiometric "Electronic Tongue" with established analytical techniques.

Tracing the origin of paracetamol tablets by near-infrared, mid-infrared, and nuclear magnetic resonance spectroscopy using principal component analysis and linear discriminant analysis

Diffusion ordered NMR spectroscopy measurements as screening method of potential reactions of API and excipients in drug formulations