1：Experimental Design and Method Selection:

The study employed the solvent-assisted ligand incorporation (SALI) approach to functionalize NU-1000 MOFs with BODIPY moieties. This involved post-synthetic modification to incorporate carboxylic acid-functionalized BODIPY ligands into the Zr6 nodes of NU-1000, maintaining the MOF topology. Theoretical models included energy transfer mechanisms between pyrene (donor) and BODIPY (acceptor) based on spectral overlap and proximity.

2：Sample Selection and Data Sources:

Samples included synthesized NU-1000, SALI-BDP, and SALI-I2BDP MOFs. Ligands such as BDP and I2BDP were synthesized following reported methods. Data sources included experimental measurements from characterization techniques.

3：List of Experimental Equipment and Materials:

Materials: Zirconyl chloride octahydrate, benzoic acid, N,N-dimethylformamide (DMF), triethylamine, dimethyl sulfoxide (DMSO), 2,3-Dichloro-5,6-dicyano-p-benzoquinone, 4-Formylbenzoic acid, N-iodosuccinimide, acetonitrile, 2,4-dimethylpyrrole, trifluoroacetic acid, boron trifluoride-ethyl ether complex, tetrakis(triphenylphosphine)palladium(0), tetrahydrofuran, chloroform, dichloromethane, methanol, dihydroxynaphthalene (DHN). Equipment: Powder X-ray diffractometer (Rigaku SmartLab), scanning electron microscope (JSM-7800F; JEOL), Fourier transform infrared spectrometer (Bruker VERTEX 80 V), NMR spectrometer (Agilent 400 MHz), surface area analyzer (Quantachrome Instruments), UV-Vis spectrophotometer (GENESYS 10S; Thermo Fisher Scientific), steady-state photoluminescence spectrophotometer (FluoroMate FS-2; SCINCO), time-resolved photoluminescence spectrophotometer (FluoTime 300; PicoQuant), halogen lamp (KL 1500; SCHOTT).

4：Experimental Procedures and Operational Workflow:

Synthesis of NU-1000 involved heating ZrOCl2·8H2O and benzoic acid in DMF, adding H4TBAPy ligand, sonicating, stirring, washing, acid treatment, and activation. SALI-MOFs synthesis involved adding activated NU-1000 to a solution of BODIPY ligands in MeCN:DMSO, heating, washing, and drying. Singlet oxygen generation tests involved adding MOFs to DHN solution, irradiating with a halogen lamp, and monitoring Juglone formation via UV-Vis spectroscopy. Characterization included PXRD, SEM, FT-IR, NMR, N2 adsorption, UV-Vis, and photoluminescence measurements.

5：Data Analysis Methods:

Data analysis included BET surface area calculation from N2 isotherms, pore size distribution using DFT method, spectral analysis for energy transfer (e.g., fluorescence quenching, lifetime measurements), and kinetic analysis of singlet oxygen generation from UV-Vis absorbance changes.