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Fig 1.

Synthesis scheme for the preparation of 3.

A protected form of HYNIC (1) was coupled to a commercially available tetrazine to form 2. The Boc group was removed prior to labelling by treatment with TFA in DCM to produce 3. Tz* = (4-(1,2,4,5-tetrazin-3-yl)phenyl) methanamine.

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Fig 1 Expand

Fig 2.

Radiolabelling scheme for the HYNIC-tetrazine ligand 3 and HPLC chromatogram of the isolated product 4.

99mTc labelling of the HYNIC-tetrazine 3 (A). A γ-HPLC chromatogram of the purified final product 4 (B).

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Fig 2 Expand

Fig 3.

Biodistribution data for 4.

Data are presented as the mean (± SEM) percent injected dose per gram (%ID/g) for selected tissues and fluids from CD1 mice at 0.5, 1, 2 and 6 h post injection (n = 3 per time point). Approximately 0.88 MBq were administered per mouse. Full biodistribution data can be found in the supporting information (S4 File).

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Fig 3 Expand

Fig 4.

Synthesis scheme for the actively targeted derivative, 99mTc-HYNIC-tetrazine-TCO-BP (5).

The TCO derivative of the bisphosphonate, alendronate (TCO-BP) was mixed with 4 prior to administration to mice.

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Fig 4 Expand

Fig 5.

Biodistribution data comparing active targeting to pretargeting.

Active targeting with 99mTc-HYNIC-tetrazine-TCO-BP (5) (black bars) is compared to pretargeting of TCO-BP administered 1 h prior to 4 (gray bars). Data are expressed as the mean (± SEM) %ID/g for selected tissues and fluids from Balb/c mice (n = 3 per time point). Tabulated biodistribution data can be found in the supporting information (S4 File).

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Fig 5 Expand

Fig 6.

Synthesis scheme for 99mTc-HYNIC-tetrazine-TCO-vancomycin (7) from TCO-vancomycin (6) and 4.

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Fig 6 Expand

Fig 7.

Binding of 4 to S. aureus in vitro using TCO-vancomycin 6.

S. aureus were pretreated with 6 in the absence (gray) or presence (black) of a 10-fold excess of vancomycin. The mean percentages (± SEM) of total radioactivity bound after 1 and 6 h incubation times with 4 are shown.

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Fig 7 Expand

Fig 8.

Biodistribution data for active targeting of S. aureus infection using 99mTc-HYNIC-tetrazine-TCO-vancomycin (7).

Compounds 4 and 6 were combined prior to i.v. injection of Balb/c mice (n = 3 per time point). Select fluids and tissues were collected at 1 (gray bars) and 6 h (black bars) post injection, including the infected calf muscle (right), and the non-infected calf muscle (left). Data are expressed as the mean percent injected dose per gram (%ID/g) ± SEM. Tabulated biodistribution data can be found in the supporting information (S4 File).

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Fig 8 Expand

Fig 9.

Biodistribution data for pretargeting using TCO-vancomycin (7) and 4.

Balb/c mice (n = 3 per time point) were given S. aureus infections in the right calf muscle, and 24 h later were treated with 7 administered 1 h prior to 4. Radioactivity was measured 1 and 6 h later in selected tissues and fluids. Data are expressed as the mean percent injected dose per gram (%ID/g) ± SEM. Tabulated biodistribution values can be found in the Supporting Information.

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Fig 9 Expand