Dataset Information

Hyperpolarizing Concentrated Metronidazole 15 NO2 Group over Six Chemical Bonds with More than 15?% Polarization and a 20?Minute Lifetime.

ABSTRACT: The NMR hyperpolarization of uniformly 15 N-labeled [15 N3 ]metronidazole is demonstrated by using SABRE-SHEATH. In this antibiotic, the 15 NO2 group is hyperpolarized through spin relays created by 15 N spins in [15 N3 ]metronidazole, and the polarization is transferred from parahydrogen-derived hydrides over six chemical bonds. In less than a minute of parahydrogen bubbling at approximately 0.4??T, a high level of nuclear spin polarization (P15N ) of around 16?% is achieved on all three 15 N sites. This product of 15 N polarization and concentration of 15 N spins is around six-fold better than any previous value determined for 15 N SABRE-derived hyperpolarization. At 1.4?T, the hyperpolarized state persists for tens of minutes (relaxation time, T1 ?10?min). A novel synthesis of uniformly 15 N-enriched metronidazole is reported with a yield of 15?%. This approach can potentially be used for synthesis of a wide variety of in vivo metabolic probes with potential uses ranging from hypoxia sensing to theranostic imaging.

SUBMITTER: Shchepin RV

PROVIDER: S-EPMC6658333 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature

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Publications

Hyperpolarizing Concentrated Metronidazole 15 NO2 Group over Six Chemical Bonds with More than 15 % Polarization and a 20 Minute Lifetime.

Shchepin Roman V RV Birchall Jonathan R JR Chukanov Nikita V NV Kovtunov Kirill V KV Koptyug Igor V IV Theis Thomas T Warren Warren S WS Gelovani Juri G JG Goodson Boyd M BM Shokouhi Sepideh S Rosen Matthew S MS Yen Yi-Fen YF Pham Wellington W Chekmenev Eduard Y EY

Chemistry (Weinheim an der Bergstrasse, Germany) 20190530 37

The NMR hyperpolarization of uniformly 15 N-labeled [15 N3 ]metronidazole is demonstrated by using SABRE-SHEATH. In this antibiotic, the 15 NO2 group is hyperpolarized through spin relays created by 15 N spins in [15 N3 ]metronidazole, and the polarization is transferred from parahydrogen-derived hydrides over six chemical bonds. In less than a minute of parahydrogen bubbling at approximately 0.4 μT, a high l ...[more]

PMID: 30964568

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Project description:BackgroundRecent rapid growth in urban areas and the desire to create liveable neighbourhoods has brought about a renewed interest in planning for compact cities, with concepts like the 20-minute neighbourhood (20MN) becoming more popular. A 20MN broadly reflects a neighbourhood that allows residents to meet their daily (non-work) needs within a short, non-motorised, trip from home. The 20MN concept underpins the key planning strategy of Australia's second largest city, Melbourne, however the 20MN definition has not been operationalised. This study aimed to develop and operationalise a practical definition of the 20MN and apply this to two Australian state capital cities: Melbourne (Victoria) and Adelaide (South Australia).MethodsUsing the metropolitan boundaries for Melbourne and Adelaide, data were sourced for several layers related to five domains: 1) healthy food; 2) recreational resources; 3) community resources; 4) public open space; and 5) public transport. The number of layers and the access measures required for each domain differed. For example, the recreational resources domain only required a sport and fitness centre (gym) within a 1.5-km network path distance, whereas the public open space domain required a public open space within a 400-m distance along a pedestrian network and 8 ha of public open space area within a 1-km radius. Locations that met the access requirements for each of the five domains were defined as 20MNs.ResultsIn Melbourne 5.5% and in Adelaide 7.6% of the population were considered to reside in a 20MN. Within areas classified as residential, the median number of people per square kilometre with a 20MN in Melbourne was 6429 and the median number of dwellings per square kilometre was 3211. In Adelaide's 20MNs, both population density (3062) and dwelling density (1440) were lower than in Melbourne.ConclusionsThe challenge of operationalising a practical definition of the 20MN has been addressed by this study and applied to two Australian cities. The approach can be adapted to other contexts as a first step to assessing the presence of existing 20MNs and monitoring further implementation of this concept.

Dataset Information

Hyperpolarizing Concentrated Metronidazole 15 NO2 Group over Six Chemical Bonds with More than 15?% Polarization and a 20?Minute Lifetime.

Publications

Hyperpolarizing Concentrated Metronidazole <sup>15</sup> NO<sub>2</sub> Group over Six Chemical Bonds with More than 15 % Polarization and a 20 Minute Lifetime.

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