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关键词： Manganese(II) complexes   Cytotoxicity   Reactive oxygen species   DNA binding   BSA binding   Molecular docking  

摘要：

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  Ten manganese(II) complexes based on 5-(4-chlorophenyl)-1H-tetrazole and N,N'-chelators were successfully prepared and structurally characterized.
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  Compound 6, based on 1,10-phenanthroline-5,6‑dione, showed the highest cytotoxicity against SK-LU-1 cells (LC₅₀ = 0.5 ± 0.2 μM) with a selectivity index of 48; notable activity was also observed for A549 cells (LC₅₀ = 1.8 ± 0.3 μM, SI = 14).
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  The cytotoxic mechanism involves mitochondria-independent ROS overproduction and inhibition of tumor cell migration.
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  DNA binding, confirmed by spectroscopy and docking, may contribute to their antiproliferative effects.
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  Under reducing conditions, complex 6 retains its structural integrity, whereas complex 9 decomposes with the loss of phendione ligands.

关键词： Coumarin derivative   Schiff base   Metal complexes   Single crystal   Alzheimer’s disease  

摘要：

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  A multifunctional coumarin derivative as AD theranostics candidate was synthesized.
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  1-Cu(Ⅱ)/Mn(Ⅱ) was synthesized and characterized by single crystal X-ray diffraction.
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  1 had strong metal chelation, antioxidant and Aβ aggregation inhibition activities.
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  1 exhibited high sensitivity and selectivity for Al³⁺ with LOD at the nM level.
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  DFT calculations helped the study of diagnostic mechanism of probe 1 on Al³⁺.

摘要： The application of aluminum alloys is limited by galvanic corrosion caused by secondary phases. This study demonstrates that the addition of 0.05 wt% LaCe (La:Ce =1:1) to as-cast 6061 alloy transforms needle-like β-AlFeSi into fine granular α-AlFeSi and refines Mg₂Si, thereby minimizing the corrosion rate. Excessive addition (≥0.10 wt%) leads to the clustering of RE-rich phases with high Volta potential, which exacerbates pitting corrosion. In acidic simulated seawater, galvanic corrosion proceeds continuously.

关键词： N-heterocycles   Click reaction   Chitosan   Anti-Alzheimer's   Antidiabetic  

摘要：

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  New quinoline-triazole-isatin hybrids successfully synthesized and fully characterized.
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  Chitosan nano-encapsulation consistently enhances multi-target enzyme inhibition.
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  CNPs 5* shows excellent AChE inhibition; all compounds target MAO-B potently.
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  CNPs 6* surpasses acarbose in α-amylase inhibition.
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  Enzyme kinetics, docking, and DFT collectively rationalize the observed activity.

关键词： Claw-free graph   Coloring   Cubic graph   Graph   Packing chromatic number   S-packing coloring  

摘要： It was recently proved that every claw-free cubic graph admits a $(1,1,2,2)$-packing coloring—that is, its vertex set can be partitioned into two 1-packings and two 2-packings. This result was established by Brešar et al. (2025). In this paper, we provide a simpler and shorter proof.

关键词： PTCDA   In/Si(1 1 1)-4x1   Photoelectron spectroscopy   Electronic structure   Chemical bonding  

摘要：

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  Photoelectron spectroscopy study of PTCDA adsorbed on the In/Si(1 1 1)-4 × 1 surface.
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  Element-selective substrate response with pronounced modifications in In 4d and negligible changes in Si 2p.
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  Valence-band and molecular core-level spectra indicate weak, site-selective molecule–substrate interaction.

关键词： Imidazo[2,1-b]thiazole   Antiproliferative activity   Apoptosis   BCR-ABL kinase  

摘要：

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  Novel imidazo[2,1-b]thiazole-piperazinyl acetamide derivatives (4a-4l) were synthesized and characterized.
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  Compounds (4a-4l) showed significant anticancer activity against MCF-7, K-562, and COLO-205.
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  Apoptosis induction and cell cycle modulation were confirmed by DAPI staining and flow cytometry.
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  Selected compounds exhibited anti-angiogenic activity in the Chorioallantoic membrane assay.
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  Molecular docking showed strong binding with BCR-ABL tyrosine kinase

关键词： Half thresholding algorithms   Inverse problem   L1/2 regularization   Preconditioning technique  

摘要： The L_1/2 regularization plays a crucial role in promoting sparsity of the solution in the optimization models. The half thresholding algorithm, which is derived based on the threshold representation theorem, serves as an efficient solver for the non-convex L_1/2 regularization problem. However, an excessively large matrix norm leads to an excessively small threshold, thereby impeding the convergence rate of half thresholding algorithm. In this study, we introduce two preconditioning matrices in the L_1/2 regularization model. One matrix enhances convergence by improving the algebraic properties of the matrix, while another adjusts the threshold and value of the regularization parameter automatically in every iteration. In particular, when the sparsity of the solution is unknown, the exact number of nonzero components can be approached iteratively. Furthermore, we expedite the half thresholding iterative algorithm using the Nesterov acceleration technique and provide the corresponding convergence results. We validate both the effectiveness and efficiency of our proposed algorithm through the examples in computational spectrometer reconstruction.

关键词： 1,3,4-Oxadiazole   Carbamothioate   5-Chlorothiophene-2-carboxylic acid   Anticancer activity   Hemolytic activity   Molecular docking  

摘要：

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  Novel thiophene–oxadiazole hybrid derivatives (7a-7e) were rationally designed and synthesized as potential anticancer agents.
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  Lead compound 7a exhibited potent antiproliferative activity against A549 lung cancer cells (IC₅₀ = 8.93 μM).
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  Structure–activity relationship revealed that electron-donating substituents significantly enhance cytotoxic activity.
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  Molecular docking demonstrated strong binding interactions with key cancer targets (PI3K, EGFR, VEGFR-2).
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  Compound 7a is identified as a promising lead for further development of lung cancer therapeutics.