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AIE active piperazine appended naphthalimide-BODIPYs: photophysical properties and applications in live cell lysosomal tracking
摘要： Piperazine appended naphthalimide-BODIPYs (NPB1–NPB4) exhibiting solvatochromism and aggregation-induced emission with a large Stokes shift (up to 146 nm) have been described. Separation of naphthalimide and BODIPY fluorophores by piperazine in these conjugates creates a donor–acceptor system and induces twisted intramolecular charge transfer, in addition to photoinduced electron transfer. The crucial role of naphthalimide, the alkyl chain length, the piperazine ring, and the solid-state packing on AIE has been extensively investigated by various studies. Superior cell permeability coupled with bio-compatibility of these conjugates offers a unique opportunity for their potential applications in live cell lysosomal tracking.
关键词： solvatochromism,piperazine,naphthalimide,lysosomal tracking,BODIPY,AIE
更新于2025-09-19 17:15:36
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The Role of Hydrogen-Bond Between Piperazine and Fullerene Molecules in Stabilizing Polymer:Fullerene Solar Cell Performance
摘要： Piperazine was recently reported as stabilizer for polymer:fullerene solar cells that can minimize the “burn-in” degradation of the cell. In this paper, the influence of N-substituents on the stabilization effect of piperazine in P3HT:PC61BM cells was investigated. Results confirmed that only piperazine derivatives (PZs) with N-H bond showed the stabilization effect, whereas the bis-alkyl substituted piperazine compounds do not able to improve the stability. Efficient photon-induced electron transfer (PET) process between PZ and PC61BM was only detected for the N-H containing PZ:PC61BM blends, corresponding ver well the stabilization effect of the PZs, which indicates that PET process of PZ and PC61BM stabilize the cell performance and the N-H bond plays a critical role ensuring the PET process and the consequent stabilization effect. Both 1H-NMR spectroscopy and theoretical calculation confirmed the formation of N-H…O-C and N-H…π bonds for the PC61BM-piperazine adduct, which was considered as the driving force that promotes the PET process between these two components. In addition, comparison of the calculated electron affinity energy (EA) and excitation energy (EEx) of PC61BM with/without piperazine confirmed that piperazine doping is able to promote the electron transfer (leads to the formation of PC61BM anions) than the energy transfer (leads to the formation of PC61BM excitons) between P3HT and PC61BM, which is beneficial for the performance and stability improvement.
关键词： Piperazine,Photochemistry,Degradation and Stability,Polymer Solar Cells,Hydrogen Bond
更新于2025-09-19 17:13:59
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A target analyte induced fluorescence band shift of piperazine modified carbon quantum dots: a specific visual detection method for oxytetracycline
摘要： Through the protection/deprotection of one amine group and the amidation reaction, piperazine was used to modify carbon quantum dots (CQDs) and successfully served as a medium to combine oxytetracyclines (OTC) in solution by hydrogen bonding and electrostatic interactions. Fluorescence resonance energy transfer (FRET) probably occurred between piperazine modified CQDs (P-CQDs) and combined OTC, which resulted in the red-shift of the fluorescence band. Besides superior specificity for examining, a good linear relationship between the maximum emission wavelength of P-CQDs and concentrations of OTC (0 to 10 lM) can be obtained, which provides a rapid and convenient visual fluorescence detection method of OTC.
关键词： carbon quantum dots,oxytetracycline,visual detection,fluorescence resonance energy transfer,piperazine
更新于2025-09-12 10:27:22
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Spectroscopic Investigation (FT-IR, FT-Raman, NMR and UV-Vis),Conformational Stability, NBO and Thermodynamic Analysis of 1-(2-Methoxyphenyl) Piperazine and 1-(2-Chlorophenyl) Piperazine by DFT Approach
摘要： The Vibrational and electronic properties of phenyl substituted compounds 1-(2-methoxyphenyl)piperazine and 1-(2-chlorophenyl)piperazine have been investigated by FT-IR, FT-Raman, NMR and UV-Vis spectral measurements. Density functional theory (DFT) method, using B3LYP functional, with 6-311++G (d,p) basis set, has been performed for assigning vibrational frequencies of the title compounds, which also helps to derive useful information about the structure of the chosen compounds. A detailed interpretation of the Infrared and Raman spectra of the two molecules were reported based on potential energy distribution (PED). 13C and 1H NMR chemical shifts of the molecules were calculated using the gauge independent atomic orbital (GIAO) method. These studies satisfactorily agree the experimental data. Charge density distribution and site of chemical reactivity of the molecule have been studied by mapping electron density isosurface with molecular electrostatic potential (MEP). Stability of the molecules arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The compounds have similar HOMO (Highest Occupied Molecular Orbitals) - LUMO (Lowest Unoccupied Molecular Orbitals) gap due to similarity in their structures. The compounds show (π→ π*) transitions in the UV- Visible range.
关键词： NMR,1-(2-methoxyphenyl)piperazine,Natural bond orbitals,DFT,1-(2-chlorophenyl)piperazine,HOMO-LUMO
更新于2025-09-10 09:29:36