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doi: 10.1039/d5dt00473jpmid: 40162517
This perspective looks at structurally characterized examples of metal-based calix[6]arene complexes, focusing on the coordination chemistry adopted and their applications, primarily in polymerisation catalysis. In particular, we look at our attempts to utilize the ability of the calix[6]arene system to accommodate multiple metal centres, and where appropriate, we compare the catalytic behaviour with that of other metallocalix[n]arenes formed from commercially available calix[n]arenes, i.e. the smaller but more common calix[4]arene and the larger calix[8]arene system. We also discuss how synthetic efforts are now targeting calix[6]arenes for which a change of the bridge can provide additional possibilities, i.e. heteroatom bridged tetrahomodioxacalix[6]arenes (containing –CH2OCH2– bridges) and tetrahomo diazacalix[6]arenes (containing –CH2N(R)CH2– bridges, R typically is methyl). The outlook for the future, in terms of the use of calix[6]arene-based catalysts is also discussed.
Devi, Jai; Taxak, Bharti; Kumar, Binesh; Rani, Swati
doi: 10.1039/d5dt00274epmid: 40171782
The incidence of infectious ailments is increasing rapidly globally, causing a high rate of mortality and morbidity. In pursuit of new and effective anti-infectious agents, this research presents the synthesis of eight diorganotin(iv) complexes (3–10), derived from 1-naphthyl thiourea and ketone derivatives. Comprehensive structural analysis, employing FT-IR, NMR (1H, 13C, and 119Sn), SEM-EDAX, TGA, P-XRD and mass spectrometry, demonstrated that the ligands chelated with diorganotin(iv) ions through O-, S- and N-donor sites adopted a penta-coordinated geometry. Biological assays showed that the complexes had enhanced bio-efficacy relative to their corresponding ligands, with activity ranked in the order of Ph2SnL1–2 > Bu2SnL1–2 > Et2SnL1–2 > Me2SnL1–2. Notably, complexes 6 (Ph2SnL1) and 10 (Ph2SnL2) exhibited the highest malaria and oxidant controlling properties, with IC50 values ranging from 0.83 ± 0.08 to 0.95 ± 0.15 μM and 2.82 ± 0.03 to 3.09 ± 0.01 μM, respectively, comparable to their standard agents. The cytotoxicity evaluation against Vero cells also showed that complex 6 (Ph2SnL1) had the lowest toxicity (21.96% ± 0.09%) at a concentration of 3.12 μg mL−1. Moreover, the molecular docking study revealed its lowest binding score of −9.7 kcal mol−1 and significant hydrophobic interactions with key residues against 1U5A protein, demonstrating its higher bio-efficacy compared to ligand 1 (H2L1). Also, theoretical and computational studies, along with ADMET Lab 2.0 evaluation, highlighted the bioactivity of complex 6 (Ph2SnL1), suggesting its potential application in the medicinal sector due to its compliance with Lipinski's Rule of Five and strong pharmacokinetic properties, including oral bioavailability, permeability, and clearance, comparable to standard drugs.
Omoto, Kenichiro; Rapenne, Gwénaël
doi: 10.1039/d5dt00156kpmid: 40260614
Layered coordination polymers have attracted significant attention as a class of crystsalline materials characterized by the layer-by-layer stacking of rigid two-dimensional (2D) coordination networks. One of their remarkable features is the flexibility of their crystal structures, which allows for interlayer displacement, swelling, and exfoliation. Incorporating stimuli-responsive moieties into their structures is a promising strategy for the rational design of layered coordination polymers with targeted flexible properties and functions. Despite the challenges associated with crystal design, a variety of stimuli-responsive layered coordination polymers have been developed over the past two decades. This article provides an overview of representative examples of layered coordination polymers whose properties and functions can be modulated by photo- and thermal stimuli.
Kuo, Yu-Tsen; Yao, Chia-Yu; Liu, Yi-Hung; Cheng, Mu-Jeng; Farrell, Jeffrey M.
doi: 10.1039/d5dt00210apmid: 40105774
The syntheses and reactivities of 2-isocyanobiphenyl·BX3 adducts (X = I, Br, Cl) are reported. These adducts undergo unexpected C–H bond-functionalizing cyclization upon heating, yielding phenanthridinium-6-trihaloborate zwitterions. Where X = Cl, an unexpected helical polycyclic boronium salt is formed via a competing pathway. Mechanistic details are probed experimentally and computationally.
Kumar, Parasar; Ghule, Vikas D.; Dharavath, Srinivas
doi: 10.1039/d5dt00730epmid: 40237629
A series of high-performing C–C bonded nitropyrazole and thiadiazole-based energetic materials (compounds 3–7) were synthesized and thoroughly characterized. SC-XRD studies supported the structure of compounds 3, 4, 6, and 7. The synthesized compounds exhibited high densities (≥1.77 g cm−3), compounds 3 and 5 demonstrating admirable detonation properties (VOD = 8300 and 7265 m s−1; DP = 30.31 and 21.25 GPa, respectively), surpassing the present benchmark explosives HNS and TNT and setting new standards for sulfur-based energetic materials. Notably, compound 3 showed an ignition delay of 13 ms in a hot needle test, indicating its potential as an igniter.
Wang, Guili; Xu, Bohui; Li, Chunxiao; Gong, Pifu; Lin, Zheshuai; Yao, Jiyong
doi: 10.1039/d5dt00180cpmid: 40259882
Two new mercury-based sulfides, Rb2HgGe3S8 and Cs2HgGe3S8, were successfully synthesized by the high-temperature solid-state reaction, and they are isostructural to crystallize in the non-centrosymmetric orthorhombic space group P212121. The results of the experiments indicate that Rb2HgGe3S8 has a large band gap of 3.26 eV, a second harmonic generation (SHG) response of 0.17 × AgGaS2 (AGS) at the particle size of 90–125 μm, and non-phase-matchable (NPM) properties. Additionally, Cs2HgGe3S8 exhibits a SHG response of 0.13 × AGS (particle size of 90–125 μm) as well as type-I phase-matchable (PM) performance at 2090 nm. Moreover, Rb2HgGe3S8 and Cs2HgGe3S8 exhibit high laser-induced damage thresholds of 3.1 and 2.7 × AGS, respectively. Theoretical calculations reveal that Rb2HgGe3S8 and Cs2HgGe3S8 are two direct semiconductors with the calculated band gap of 2.32 and 2.15 eV and the synergistic action of [HgS4] and [GeS4] units realizes their SHG response.
Jia, Yuqi; Cui, Xueqin; Zou, Houbing; Tong, Xili
doi: 10.1039/d5dt00278hpmid: 40261270
Herein, mesoporous rhodium nanoparticles with exposed {100} facets were prepared through a soft-template strategy involving a cooperative assembly between metal precursors, surfactants and iodide ions. The obtained catalyst exhibits superior catalytic activity in C–H oxidation reactions, 2.2–3.3 times higher than that of traditional porous or nonporous rhodium nanoparticles.
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