A new selective technique for characterization of polycyclic aromatic hydrocarbons in complex samples: UV resonance Raman spectrometry of coal liquids.
Evidence is given showing that UV resonance Raman spectroscopy (UVRRS) is a powerful technique for the identification and quantitation of polycyclic aromatic hydrocarbons (PAH's) in a coal liquid. Results suggest that this technique will be of general utility for the study of systems containing chromaphoric species absorbing in the UV spectral region. In this paper it is demonstrated that (1) the resonance Raman spectra of PAH derivatives can be selectively observed in solutions of coal liquids and (2) different UV excitation wavelengths result in the selective Raman enhancement of different polycyclic aromatic hydrocarbon ring systems.
Possibilities of Real Time Monitoring of Micropollutants in Wastewater Using Laser-Induced Raman & Fluorescence Spectroscopy (LIRFS) and Artificial Intelligence (AI)
The entire water cycle is contaminated with largely undetected micropollutants, thus jeopardizing wastewater treatment. Currently, monitoring methods that are used by wastewater treatment plants (WWTP) are not able to detect these micropollutants, causing negative effects on aquatic ecosystems and human health. In our case study, we took collective samples around different treatment stages (aeration tank, membrane bioreactor, ozonation) of a WWTP and analyzed them via Deep-UV laser-induced Raman and fluorescence spectroscopy (LIRFS) in combination with a CNN-based AI support. This process allowed us to perform the spectra recognition of selected micropollutants and thus analyze their reliability. The results indicated that the combination of sensitive fluorescence measurements with very specific Raman measurements, supplemented with an artificial intelligence, lead to a high information gain for utilizing it as a monitoring purpose. Laser-induced Raman spectroscopy reaches detections limits of alert pharmaceuticals (carbamazepine, naproxen, tryptophan) in the range of a few µg/L; naproxen is detectable down to 1 × 10−4 mg/g. Furthermore, the monitoring of nitrate after biological treatment using Raman measurements and AI support showed a reliable assignment rate of over 95%. Applying the fluorescence technique seems to be a promising method in observing DOC changes in wastewater, leading to a correlation coefficient of R2 = 0.74 for all samples throughout the purification processes. The results also showed the influence of different extraction points in a cleaning stage; therefore, it would not be sensible to investigate them separately. Nevertheless, the interpretation suffers when many substances interact with one another and influence their optical behavior. In conclusion, the results that are presented in our paper elucidate the use of LIRFS in combination with AI support for online monitoring.
Recognition of base pairs by polar peptides in double stranded DNA.
The resonance Raman spectrum of native DNA has been obtained using excitation at 257 nm. In a first part, the spectral lines are assigned to the different nucleotide bases which provide the resonance effect. In a second part, the interactions of DNA with basic peptides (Arginine Methylester, Lysine Methylester, Arginyl-Arginine) are investigated using excitation at 300 nm and 257 nm, which give complementary information about the DNA. Both Arginine Methylester and Arginyl-arginine recognize the A-T base pairs, the first one in the large groove, the second one in the narrow groove of DNA. The DNA-Lysine Methylester interaction is very likely not specific but can take place in the large groove of DNA.