Detection and Characterization of Nodularin by Using Label-Free Surface-Enhanced Spectroscopic Techniques.

Nodularin (NOD) is a potent toxin produced by cyanobacteria. Usually, NOD co-exists with other microcystins in environmental waters, a class of cyanotoxins secreted by certain cyanobacteria species, which makes identification difficult in the case of mixed toxins. Herein we report a complete theoretical DFT-vibrational Raman characterization of NOD along with the experimental drop-coating deposition Raman (DCDR) technique.

SERS-based antibiotic susceptibility testing: Towards point-of-care clinical diagnosis.

Emerging antibiotic resistant bacteria constitute one of the biggest threats to public health. Surface-enhanced Raman scattering (SERS) is highly promising for detecting such bacteria and for antibiotic susceptibility testing (AST). SERS is fast, non-destructive (can probe living cells) and it is technologically flexible (readily integrated with robotics and machine learning algorithms).

Cheminformatics Study on Structural and Bactericidal Activity of Latest Generation β-Lactams on Widespread Pathogens.

Raman spectra of oxacillin (OXN), carbenicillin (CBC), and azlocillin (AZL) are reported for the first time together with their full assignment of the normal modes, as calculated using Density Functional Theory (DFT) methods with the B3LYP exchange-correlation functional coupled to the 6-31G(d) and 6-311+G(2d,p) basis sets. Molecular docking studies were performed on five penicillins, including OXN, CBC, and AZL. Subsequently, their chemical reactivity and correlated efficiency towards specific pathogenic strains were revealed by combining frontier molecular orbital (FMO) data with molecular electrostatic potential (MEP) surfaces.

Natural radioactivity and its radiological implications from soils and rocks in Jaintiapur area, North-east Bangladesh.

Natural radioactivity concentrations in recent alluvial soils from swampy areas and Tertiary rocks from Jaintiapur were measured using gamma-ray spectrometer equipped with HPGe detector. The average radioactivity concentration of Ra, Th and K were 47 ± 6, 64 ± 5 and 762 ± 40 Bqkg in soils, whereas, 25 ± 2, 37 ± 4 and 884 ± 41 Bqkg in rock samples, respectively. Average radioactivity concentrations of studied soil and rock samples exceeded the world average except Ra for rocks.