In the crystal structure of 1,1'-(1,3-propanediyl)bis(5-benzyl-6-methylsulfanyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one), C(29)H(28)N(8)O(2)S(2), the pairs of pyrazolo[3,4-d]pyrimidine rings stack as a result of intramolecular pi-pi interactions between the heterocyclic rings. The folded molecules are further stacked in pairs, due to intermolecular aromatic pi-pi interactions and C-H...O hydrogen bonds.
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http://dx.doi.org/10.1107/s0108270102012039 | DOI Listing |
Sci Rep
December 2024
Research Group On Adsorptive and Catalytic Process Engineering (ENGEPAC), Federal University of Santa Maria, Av. Roraima, 1000-8, Santa Maria, RS, 97105-900, Brazil.
This paper presented the preparation, characterization, and adsorption properties of Brazil nut shell activated carbon for catechol removal from aqueous solutions. The equilibrium adsorption of catechol molecules on this activated was experimentally quantified at pH 6 and temperatures ranging from 25 to 55 °C, and at 25 °C and pH ranging from 6 to 10. These results were utilized to elucidate the role of surface functionalities through statistical physics calculations.
View Article and Find Full Text PDFAdv Sci (Weinh)
December 2024
Analytical & Testing Center, Chengdu, 610064, China.
Aqueous-phase phosphors are of utmost importance for a myriad of applications. However, the emission wavelengths of the current aqueous organic room-temperature phosphorescent (RTP) materials are limited to green and red bands, while the blue part is rarely reported, thus limiting the development of a full-color RTP system. Theoretically, carboxylated benzene is expected to be blue phosphorescence-emissive, but only green phosphorescence is observed in solid, due to the strong intermolecular π-π stacking that decreases the energy gap.
View Article and Find Full Text PDFInt J Pharm
December 2024
School of Pharmaceutical Sciences, Nanjing Tech University, Nanjing 211816, China. Electronic address:
The coamorphous formulations have attracted increasing interest due to enhanced solubility and bioavailability, together with synergistic pharmacological effects. In this study, a ternary coamorphous system of polyphenols was successfully prepared, wherein baicalein (Bai) and resveratrol (Res) were constructed into a single-phase coamorphous system mediated by piperine (Pip). FTIR and ss C NMR spectra together with quantum chemical calculation and molecular dynamics simulation suggested Pip as a molecular bridge connected Bai and Res molecules through π-π stacking and hydrogen bonding interactions.
View Article and Find Full Text PDFSci Rep
December 2024
Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, 682041, India.
Sixteen thio/semicarbazide-based benzyloxy derivatives (BT1-BT16) were synthesized and evaluated for their inhibitory activities against monoamine oxidases (MAOs). Most compounds showed better inhibitory activity against MAO-B than against MAO-A. BT1, BT3, and BT5 showed the greatest inhibitory activity with an identical IC value of 0.
View Article and Find Full Text PDFJ Chromatogr A
December 2024
College of Environmental Science and Engineering, Shandong Analysis and Test Center, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250353, China. Electronic address:
Here we covalently constructed abundant long-chain hydroxyl groups-functionalized magnetic microporous organic networks (MMON-2OH) for detection of eight Triazine herbicides (THs) in honey and water samples. MMON-2OH owned a high surface area (287.86 m²/g), enhanced water compatibility, and increased exposure of long-chain hydroxyl groups, which significantly improved enrichment capacity for THs.
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