Recent development in fluorinated antibiotics

Pace, Andrea; Piccionello, Antonio Palumbo; Pibiri, Ivana; Buscemi, Silvestre

doi:10.1016/b978-0-12-812733-9.00005-2

Cited by 7 publications

(8 citation statements)

References 84 publications

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“…All samples showed detectable levels of EOF in this study, and a higher fraction of unexplained EOF (>64%) was found for tap water samples based on the mass balance approach (Figure A). For the unexplained EOF, novel PFAS and fluorinated pharmaceuticals could be potential sources. , Inorganic fluorinated anions (BF 4 – and PF 6 – ) are another possible source, as suggested in a recent study . Results showed that BF 4 – and PF 6 – were detected in our water samples (Figure B); therefore, the term “extractable fluorine (EF) mass balance” was used.…”

Section: Resultsmentioning

confidence: 72%

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Further Insight into Extractable (Organo)fluorine Mass Balance Analysis of Tap Water from Shanghai, China

Jiao,

Larsson,

Wang

et al. 2023

Environ. Sci. Technol.

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The ubiquitous occurrence of per-and polyfluoroalkyl substances (PFAS) and the detection of unexplained extractable organofluorine (EOF) in drinking water have raised growing concerns. A recent study reported the detection of inorganic fluorinated anions in German river systems, and therefore, in some samples, EOF may include some inorganic fluorinated anions. Thus, it might be more appropriate to use the term "extractable fluorine (EF) analysis" instead of the term EOF analysis. In this study, tap water samples (n = 39) from Shanghai were collected to assess the levels of EF/EOF, 35 target PFAS, two inorganic fluorinated anions (tetrafluoroborate (BF 4 − ) and hexafluorophosphate (PF 6 − )), and novel PFAS through suspect screening and potential oxidizable precursors through oxidative conversion. The results showed that ultra-short PFAS were the largest contributors to target PFAS, accounting for up to 97% of ΣPFAS.To the best of our knowledge, this was the first time that bis(trifluoromethanesulfonyl)imide (NTf 2 ) was reported in drinking water from China, and p-perfluorous nonenoxybenzenesulfonate (OBS) was also identified through suspect screening. Small amounts of precursors that can be oxidatively converted to PFCAs were noted after oxidative conversion. EF mass balance analysis revealed that target PFAS could only explain less than 36% of EF. However, the amounts of unexplained extractable fluorine were greatly reduced when BF 4 − and PF 6 − were included. These compounds further explained more than 44% of the EF, indicating the role of inorganic fluorinated anions in the mass balance analysis. KEYWORDS: extractable fluorine (EF), tetrafluoroborate (BF 4 − ), hexafluorophosphate (PF 6 − ), suspect screening, bis(trifluoromethanesulfonyl)imide (NTf 2 ), ultra-short PFAS

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Section: Resultsmentioning

confidence: 72%

“…For the unexplained EOF, novel PFAS and fluorinated pharmaceuticals could be potential sources. 42,56 Inorganic fluorinated anions (BF 4…”

Section: Extractable (Organo)fluorine (Ef/eof) Mass Balance Analysismentioning

confidence: 99%

Further Insight into Extractable (Organo)fluorine Mass Balance Analysis of Tap Water from Shanghai, China

Jiao,

Larsson,

Wang

et al. 2023

Environ. Sci. Technol.

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“…Hence, methods of modifying existing fluorinated synthons are preferred. 7,8 If the BB not only contains a valuable fluorinated functional group but is also enantiomerically pure, its importance and applicability increase. Although long perceived as a green promising tool, biocatalysis is nowadays acknowledged as a mature technology for asymmetric biotransformations.…”

Section: Introductionmentioning

confidence: 99%

Halohydrin dehalogenase-catalysed synthesis of enantiopure fluorinated building blocks: bottlenecks found and explained by applying a reaction engineering approach

et al. 2023

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“…Fluorinating reagents are a very important tool in synthetic organic chemistry . In fact, organofluoro compounds find widespread applications in agrochemicals, pharmaceutical science, and materials science . Particularly relevant to organofluorine chemistry is the choice of the fluorine source.…”

Section: Introductionmentioning

confidence: 99%

One‐bond ¹J(¹⁵N─¹⁹F) spin–spin coupling constants of cationic fluorinating reagents: Insights from DFT calculations

Saielli

2019

Magnetic Reson in Chemistry

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We have investigated, by means of density functional theory protocols, the one-bond 1 J( 15 N─ 19 F) spin-spin coupling constants in a series of fluorinating reagents, containing the N─F bond, recently studied experimentally. The results of the calculations show a very good linear relationship with the experimental values, even though only the M06-2X(PCM)/pcJ-2//B3LYP/6-311G(d,p) level affords a very low mean absolute error. The calculations allow to analyze the various molecular orbitals contributions to the J coupling and to rationalize the observed positive sign, corresponding to a negative sign of the reduced spin-pin coupling constant K(N─F). Moreover, of the four Ramsey contributions, only the diamagnetic spin orbit is negligible, whereas the paramagnetic spin orbit and spin dipole terms decrease the magnitude of the Fermi contact (FC) term by an amount that goes from a minimum of 35% up to more than 60% of the FC term itself. Several effects have been investigated, namely, the contribution of the long-range solvent reaction field, relativistic corrections, and conformational and vibrational effects.

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Recent development in fluorinated antibiotics

Cited by 7 publications

References 84 publications

Further Insight into Extractable (Organo)fluorine Mass Balance Analysis of Tap Water from Shanghai, China

Further Insight into Extractable (Organo)fluorine Mass Balance Analysis of Tap Water from Shanghai, China

Halohydrin dehalogenase-catalysed synthesis of enantiopure fluorinated building blocks: bottlenecks found and explained by applying a reaction engineering approach

One‐bond ¹J(¹⁵N─¹⁹F) spin–spin coupling constants of cationic fluorinating reagents: Insights from DFT calculations

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Recent development in fluorinated antibiotics

Cited by 7 publications

References 84 publications

Further Insight into Extractable (Organo)fluorine Mass Balance Analysis of Tap Water from Shanghai, China

Further Insight into Extractable (Organo)fluorine Mass Balance Analysis of Tap Water from Shanghai, China

Halohydrin dehalogenase-catalysed synthesis of enantiopure fluorinated building blocks: bottlenecks found and explained by applying a reaction engineering approach

One‐bond 1J(15N─19F) spin–spin coupling constants of cationic fluorinating reagents: Insights from DFT calculations

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One‐bond ¹J(¹⁵N─¹⁹F) spin–spin coupling constants of cationic fluorinating reagents: Insights from DFT calculations