Deep UV resonance Raman spectroscopy for sensitive detection and quantification of the fluoroquinolone antibiotic drug moxifloxacin and the β-lactam meropenem in human plasma

Domes, Christian; Popp, Juergen; Hagel, Stefan; Pletz, Mathias W.; Frosch, Torsten

doi:10.1016/j.clispe.2023.100026

Cited by 8 publications

(3 citation statements)

References 64 publications

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“…Raman spectroscopy , provides high chemical selectivity − for the investigation of antimalarials, − the target structures, − and their interactions . These interactions may induce subtle alterations in the vibrational spectrum of the target molecule, which signify modifications in its structure or chemical bonds .…”

Section: Introductionmentioning

confidence: 99%

Spectrally Resolved and Highly Parallelized Raman Difference Spectroscopy for the Analysis of Drug–Target Interactions between the Antimalarial Drug Chloroquine and Hematin

Wolf,

Domes,

Domes

et al. 2024

Anal. Chem.

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Malaria is a severe disease caused by cytozoic parasites of the genus Plasmodium, which infiltrate and infect red blood cells. Several drugs have been developed to combat the devastating effects of malaria. Antimalarials based on quinolines inhibit the crystallization of hematin into hemozoin within the parasite, ultimately leading to its demise. Despite the frequent use of these agents, there are unanswered questions about their mechanisms of action. In the present study, the quinoline chloroquine and its interaction with the target structure hematin was investigated using an advanced, highly parallelized Raman difference spectroscopy (RDS) setup. Simultaneous recording of the spectra of hematin and chloroquine mixtures with varying compositions enabled the observation of changes in peak heights and positions based on the altered molecular structure resulting from their interaction. A shift of (−1.12 ± 0.05) cm −1 was observed in the core-size marker band ν(C α C m ) asym peak position of the 1:1 chloroquine−hematin mixture compared to pure hematin. The oxidation-state marker band ν(pyrrole half-ring) sym exhibited a shift by (+0.93 ± 0.13) cm −1 . These results were supported by density functional theory (DFT) calculations, indicating a hydrogen bond between the quinolinyl moiety of chloroquine and the oxygen atom of ferric protoporphyrin IX hydroxide (Fe(III)PPIX-OH). The consequence is a reduced electron density within the porphyrin moiety and an increase in its core size. This hypothesis provided further insights into the mechanism of hemozoin inhibition, suggesting chloroquine binding to the monomeric form of hematin, thereby preventing its further crystallization to hemozoin.

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Section: Introductionmentioning

confidence: 99%

Spectrally Resolved and Highly Parallelized Raman Difference Spectroscopy for the Analysis of Drug–Target Interactions between the Antimalarial Drug Chloroquine and Hematin

Wolf,

Domes,

Domes

et al. 2024

Anal. Chem.

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“…Raman spectroscopy − provides a high chemical selectivity; − allows for the detection of almost all gases (except noble gases), including O 2 and N 2 and different isotopomers; and enables the simultaneous investigation of complete processes with one device. Recently, cavity-enhanced Raman spectroscopy (CERS) − and fiber-enhanced Raman spectroscopy (FERS) − were developed for highly sensitive gas quantification.…”

Section: Introductionmentioning

confidence: 99%

Isotopomeric Peak Assignment for N₂O in Cross-Labeling Experiments by Fiber-Enhanced Raman Multigas Spectroscopy

Blohm,

Domes,

Frosch

2024

Anal. Chem.

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Human intervention in nature, especially fertilization, greatly increased the amount of N 2 O emission. While nitrogen fertilizer is used to improve nitrogen availability and thus plant growth, one negative side effect is the increased emission of N 2 O. Successful regulation and optimization strategies require detailed knowledge of the processes producing N 2 O in soil. Nitrification and denitrification, the main processes responsible for N 2 O emissions, can be differentiated using isotopic analysis of N 2 O. The interplay between these processes is complex, and studies to unravel the different contributions require isotopic crosslabeling and analytical techniques that enable tracking of the labeled compounds. Fiber-enhanced Raman spectroscopy (FERS) was exploited for sensitive quantification of N 2 O isotopomers alongside N 2 , O 2 , and CO 2 in multigas compositions and in cross-labeling experiments. FERS enabled the selective and sensitive detection of specific molecular vibrations that could be assigned to various isotopomer peaks. The isotopomers 14 N 15 N 16 O (2177 cm −1 ) and 15 N 14 N 16 O (2202 cm −1 ) could be clearly distinguished, allowing site-specific measurements. Also, isotopomers containing different oxygen isotopes, such as 14 N 14 N 17 O, 14 N 14 N 18 O, 15 N 15 N 16 O, and 15 N 14 N 18 O could be identified. A cross-labeling showed the capability of FERS to disentangle the contributions of nitrification and denitrification to the total N 2 O fluxes while quantifying the total sample headspace composition. Overall, the presented results indicate the potential of FERS for isotopic studies of N 2 O, which could provide a deeper understanding of the different pathways of the nitrogen cycle.

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“…To obtain a complete picture of all active processes and their response to fertilizer addition, a comprehensive multi-gas analysis would be of great advantage. In this context, Raman spectroscopy is a promising non-destructive technique 38–43 which does not require extensive sample preparation 44–47 and provides extremely high selectivity 48–54 which can be exploited for the specific monitoring of stable isotope-labeled and unlabeled gases. 55–57 Due to the weak scattering processes, enhancement methods such as cavity-enhanced Raman spectroscopy (CERS) 58–62 and fiber-enhanced Raman spectroscopy (FERS) 63–72 were developed for the sensitive detection of analytes.…”

Section: Introductionmentioning

confidence: 99%

Comprehensive multi-gas study by means of fiber-enhanced Raman spectroscopy for the investigation of nitrogen cycle processes

Blohm,

Domes,

Merian

et al. 2024

Analyst

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Deep UV resonance Raman spectroscopy for sensitive detection and quantification of the fluoroquinolone antibiotic drug moxifloxacin and the β-lactam meropenem in human plasma

Cited by 8 publications

References 64 publications

Spectrally Resolved and Highly Parallelized Raman Difference Spectroscopy for the Analysis of Drug–Target Interactions between the Antimalarial Drug Chloroquine and Hematin

Spectrally Resolved and Highly Parallelized Raman Difference Spectroscopy for the Analysis of Drug–Target Interactions between the Antimalarial Drug Chloroquine and Hematin

Isotopomeric Peak Assignment for N₂O in Cross-Labeling Experiments by Fiber-Enhanced Raman Multigas Spectroscopy

Comprehensive multi-gas study by means of fiber-enhanced Raman spectroscopy for the investigation of nitrogen cycle processes

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Deep UV resonance Raman spectroscopy for sensitive detection and quantification of the fluoroquinolone antibiotic drug moxifloxacin and the β-lactam meropenem in human plasma

Cited by 8 publications

References 64 publications

Spectrally Resolved and Highly Parallelized Raman Difference Spectroscopy for the Analysis of Drug–Target Interactions between the Antimalarial Drug Chloroquine and Hematin

Spectrally Resolved and Highly Parallelized Raman Difference Spectroscopy for the Analysis of Drug–Target Interactions between the Antimalarial Drug Chloroquine and Hematin

Isotopomeric Peak Assignment for N2O in Cross-Labeling Experiments by Fiber-Enhanced Raman Multigas Spectroscopy

Comprehensive multi-gas study by means of fiber-enhanced Raman spectroscopy for the investigation of nitrogen cycle processes

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Isotopomeric Peak Assignment for N₂O in Cross-Labeling Experiments by Fiber-Enhanced Raman Multigas Spectroscopy