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A mechanistic study of the Cp*Rh(III)-catalyzed annulative coupling of benzimidates with 4-acyl-1-sulfonyltriazoles by C H activation was performed using density functional M06 method. It was demonstrated that the active catalyst during the coupling process should be the cation [Cp*Rh(OAc)] + rather than the neutral Cp*Rh(OAc) 2 and Zn(OAc) 2 as proposed previously by the experimenters. A novel energetically feasible reaction pathway has been revealed theoretically in details. The acetic acid-mediated cyclization process was confirmed to be the rate-limiting step with an overall barrier of 24.3 kcal/mol, excluding any importance of the C H cleavage mechanism as supported by the kinetic isotope effect experiments. The major factors responsible for the preferred regioselectivity of N-pyrimidinylinoles with 4-acetyl-1-sulfonyltriazoles were discussed.

Objective This study aimed to investigate the feasibility and effectiveness of 3D printing personalized guide plate in the management of recurrent intramuscular venous malformations (IVM). Methods Fifteen patients with recurrent IVM were retrospectively assessed. 3D-slicer software was used to extract and reconstruct the imaging data from CT and/or MRI to highlight the morphology, size, and puncture depth of the lesion. With the guidance of personalized plate, complete excision of the IVM was adopted along the pre-marked (methylene blue, MB) margin. Results Personalized guide plate matched involved extremity well, and MB-puncture approach was consistent with preoperative design. All IVMs were removed radically in one single session. Complete pain relief was obtained in all cases postoperatively. Conclusion The application of 3D printing guide plate can be safe, effective, and reliable to confirming the precise margin of IVM, renders a promising technique with a high practical value in resection of recurrent lesion.