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To determine the pore structure characteristics of different coal ranks in Panguan syncline, both N 2 adsorption− desorption (LP-N 2 GA) and CO 2 adsorption (LP-CO 2 GA) were carried out with the goal of revealing the differentiation evolution of total pore volume (TPV), specific surface area (SSA), pore size distribution (PSD), and pore shape of 14 coal samples, and the influences of SSA to adsorption capability at different sizes (supermicroporous < 2 nm, micropore: 2−10 nm, transition pore: 10−100 nm) were further discussed. Density functional theory (DFT) is used for the determination of pore structure parameters to ensure its accuracy. Results show that the pore shape in the Panguan area is mostly the semi-open pores with poor connectivity (e.g., wedge-shaped, cylindrical, and slit-shaped pores with one closed side). Only a small amount of the pores is in open shapes (e.g., slit-shaped pores or cylindrical pores with two ends open). For most of the coal samples, the PSDs of pores tested by LP-N 2 GA appear to be multimodal, and the N 2 -TPV is mainly from the contribution of the transition pore (73.69−95.21%), followed by the micropore. The PSDs of supermicroporous (tested by LP-CO2GA) appear to be bimodal, with two peak values present at 0.52−0.61 nm and 0.82−0.87 nm, respectively, and a bigger pore volume distribution interval corresponds to a higher specific surface area. The N 2 -SSA (pore diameter ranges from 2 to 100 nm) mainly comes from the contribution of the pores 2−3 nm in diameter, and a bigger N 2 -TPV means a higher N 2 -SSA. The CO 2 -SSA (pore diameter ranges from 0.489 to 1.083 nm) which has a better positive linear correlation with Langmuir volume is related to CO 2 -TPV and the distribution frequency of pore volume at different pore sizes, and the contribution rate of CO 2 -SSA to the total SSA (CO 2 -SSA + N 2 -SSA) reaches 99%, indicating that supermicroporous has a significant effect on the coal adsorption capacity. With the increase of the vitrinite reflectance (R o,ran , 0.83 → 2.27%), the N 2 -SSA increase gradually, and its increase tendency presents to be a half-reversed "U" shape in the whole, while the CO 2 -SSA presents an extremely significant linear increase tendency. Accordingly, the Langmuir volume (2.61 → 21.26 m 3 /t) also displays a linear growth tendency with the increasing vitrinite reflectance. The results of this study will provide guidance to the CBM development in the Panguan area.

a b s t r a c tSince pyrithiobac (PTB) is a successful commercial herbicide with very low toxicity against mammals, it is worth exploring its derivatives for an extensive study. Herein, a total of 35 novel compounds were chemically synthesized and single crystal of 6e6 was obtained to confirm the molecular structure of this family of compounds. The novel PTB derivatives were fully evaluated against various biological platforms. From the bioassay results, the best AHAS inhibitor 6e22 displayed weaker herbicidal activity but stronger anti-Candida activity than PTB did. For plant pathogenic fungi, 6e26 showed excellent activity at 50 mg/L dosage. Preliminary insecticidal activity and antiviral activity were also observed for some title compounds. Strikingly, 6e5 exhibited a promising inhibitory activity against SARS-CoV M pro with IC 50 of 4.471 mM and a low cellular cytotoxicity against mammalian 293 T cells. Based on the results of molecular modeling, HOMO-1 was considered to be a factor that affects AHAS inhibition and a possible binding mode of 6e5 with SARS-CoV M pro was predicted. This is the first time that PTB derivatives have been studied as biological agents other than herbicides. The present research hence has suggested that more attentions should be paid to compounds belonging to this family to develop novel agrochemicals or medicines.