A fluorescent probe, H3L (1), has been synthesized via the 1:2 condensation of 4-ethyl-2,6-diformylphenol with 2-amino-4-methylphenol and characterized by elemental analysis, FT-IR, 1H and 13C NMR spectroscopy and ESIMS. UV-Vis absorption and fluorescence studies reveal pronounced solvent-dependent photophysical behaviour. The fluorescence spectra exhibit dual emission arising from the locally excited enol form and the excited-state intramolecular proton transfer (ESIPT)-generated keto tautomer. Fluorescence studies in the presence of triethylamine and acetic acid, together with DFT and TD-DFT calculations and frontier molecular orbital analyses, confirm the ESIPT process and suggest the involvement of competing excited-state non-radiative pathways, including ICT and PET. Probe 1 exhibits pronounced aggregation-induced emission enhancement (AIEE) in methanol-water mixtures, with maximum fluorescence intensity at a water fraction of 20%. The AIEE phenomenon is attributed to the formation of crystalline nanoaggregates that restricts intramolecular motions and is supported by DLS and SEM analyses as well as fluorescence studies at different temperatures and in methanolethyleneglycol mixtures of varying viscocity. Fluorescence investigations in the presence of various metal ions, including anti-interference experiments, demonstrate that 1 functions as a selective fluorescence turn-on sensor for Al3+. The sensing response originates from chelation enhanced fluorescence (CHEF) accompanied by suppression of non-radiative decay processes. An association constant of 1.6 & times; 104 M-1 and a detection limit of 0.427 mu M have been obtained for Al3+ sensing. Job's plot, Benesi-Hildebrand analysis, ESI-MS and 1H NMR titration collectively indicate 1:1 complexation between H3L and Al3+, for which a composition [Al(HL)(NO3)2]- has been proposed. Quantum-yield and time-resolved fluorescence measurements corroborate both AIEE and Al3+ sensing. Cell viability assays using MC3T3 murine osteoblast precursor cells demonstrate low cytotoxicity of both the probe and its Al3+ complex. Furthermore, fluorescence microscopy studies establish good cellmembrane permeability and effective intracellular response toward Al3+, highlighting the potential bioimaging applicability of the system. Comparison with previously reported systems highlights the salient features of the present study.
The work in this report deals with the solvent-dependent syntheses, single crystal X-ray structures, dc/ac magnetic investigation and ab initio CASSCF calculations into the magnetic properties of one DyIII3 compound of composition (Et3NH)2[DyIII3L4(NO3)2]NO3 & centerdot;0.6Et2O (1) and one DyIII4 compound of composition [DyIII4L4(mu 3-OH)2(NO3)2(dmf)2] (2) derived from a two-pocket ligand H2L = 2-(2-hydroxy-3-ethoxybenzylideneamino)phenol. In the DyIII (terminal)-DyIII(central)-DyIII(terminal) core in 1, a tris(& micro;-phenoxido) bridging moiety connects the two metal ions in each terminal-central pair. Different bridging moieties in 2 are bis(& micro;3-hydroxido), bis(& micro;-phenoxido)-& micro;3-hydroxido and & micro;-phenoxido-& micro;3-hydroxido. Compound 2 has a butterfly-type structure having two DyIII (Dyb) in body positions and two DyIII (Dyw) in wing positions. SHAPE analyses reveal that the coordination geometries are distorted square antiprism for the central DyIII in 1 and the Dyw centres in 2 while they are distorted triangular dodecahedron (TDD) for the terminal DyIII centres in 1 and Dyb centres in 2. DC magnetic measurements reveal strong anisotropy and an indication of weak antiferromagnetic interactions in both 1 and 2. The AC susceptibility data reveal that 1 is an SMM under 1000 Oe DC field while 2 is an SMM under zero DC field and there are two relaxation channels in both which is due to the presence of two types of DyIII. The simulated Ueff values are 32.3 cm-1 for 1 and 65.1 cm-1 for 2. Ab initio CASSCF/RASSI-SO/SINGLE_ANISO calculations reveal that the SAPR Dyw centres are more axial (giving Ucal = 162 cm-1) than the TDD Dyb centres (giving Ucal = 69 cm-1) in 2 while, in 1, the SAPR central DyIII is much less axial (giving Ucal = 19 cm-1) than the TDD terminal DyIII centres (giving Ucal = 168.3/163.6 cm-1). The calculations also reveal that the magnetization relaxation occurs via the first excited KD. All of the POLY_ANISO estimated exchange coupling constants are weakly antiferromagnetic. Crystal field parameters have been calculated to corroborate the relative axiality of the metal centres. The assignment of slow and fast relaxation processes to the DyIII centres is made on the basis of theoretical calculations. An unusual outcome regarding the role of coordination environment on the SMM properties has been discussed.
The rift system in Indian craton underwent reactivation at the Cretaceous-Tertiary boundary when the R & eacute;union plume encountered the Indian lithosphere, leading to the 66 Ma massive Deccan volcanism. Although the plume-driven rift tectonics is a subject of lively research, how a pre-existing rift system can modulate the plume dynamics, particularly in continental settings has remained inadequately explored. The present study addresses this issue in the framework of the R & eacute;union plume-Indian lithosphere geodynamics. We develop 2D thermomechanical models to simulate plume-rift interactions, systematically investigating the modes of interactions as a function of plate's pull velocity (V-p) and plume-rift distance (delta). Our numerical experiments reveal that small delta (<200 km) or high V-p (>1 cm/yr) conditions redirect a large portion of the plume materials toward the pre-existing rift, resulting in significant melting beneath the rift undergoing rejuvenation. Increasing delta or decreasing V-p weakens the plume-rift interaction, leaving the pre-existing rift zone almost passive, and stagnation of the plume materials with little melting. The model results suggest that the Narmada rift, which was closer to the R & eacute;union plume, significantly deflected the plume materials, leading to partial melting with Moho upwarping and profuse magmatism. In contrast, the Godavari rift, located at a larger distance from the plume behaved passively, allowing the plume materials to stagnate with little melting at the lithospheric base and facilitate Moho downwarping, as supported by geophysical observations. This article provides a new insight of the differential responses of the Indian rift system to the R & eacute;union event.
Long non-coding RNAs (lncRNAs) are increasingly recognized as key regulators of gene expression and cancer progression; however, the majority remain functionally uncharacterized, limiting their translational and clinical relevance. In particular, the extent to which lncRNA functions are conserved across species and contribute to melanoma progression remains poorly understood. This study presents an integrative in silico characterization of mouse lncRNA Gm26982, previously implicated in melanoma models, alongside comparison with its human counterpart LINC00852, to elucidate structural, regulatory, and functional conservation with potential translational and clinical relevance. We implemented a comprehensive and robust bioinformatics pipeline integrating diverse computational tools, web servers, and publicly available databases to systematically evaluate the coding potential, synteny, sequence conservation, expression profiles, subcellular localization, secondary structure, and interaction networks of Gm26982, including its associations with miRNAs and RNA-binding proteins. Our results demonstrate that Gm26982 possesses low coding potential despite a complete reading frame, and is predominantly expressed in neural and immune-related murine tissues. Synteny analysis established its ortholog in human LINC00852 with overlapping expression domains and subcellular localization. Despite modest sequence similarity, both lncRNAs share conserved genomic contexts, overlapping tissue-specific expression patterns, and similar regulatory interactions. Notably, both transcripts were predicted to interact with miR-140-3p, suggesting a conserved regulatory mechanism potentially mediated through competing endogenous RNA (ceRNA) activity. Structural analysis further revealed differences in thermodynamic stability and folding complexity, indicating evolutionary divergence in regulatory capacity. Collectively, these findings suggest that Gm26982 and LINC00852 represent conserved lncRNAs with potential roles in melanoma-associated regulatory networks, particularly through miRNA-mediated post-transcriptional regulation. This study provides a foundation for future experimental validation. It highlights the importance of integrative computational approaches in identifying functionally relevant lncRNAs, with potential implications for biomarker discovery and therapeutic targeting in cancer.
In the present study of (CdO) _n clusters (n = 1 to 12), we generated stable structures for each cluster size using a two-step approach. In the first step, high-quality candidate structures were produced with a stochastic optimization method, namely simulated annealing (SA). In the second step, these candidate structures were further refined through quantum chemical calculations. This combined strategy was found to be highly convenient and efficient. The final optimized structures obtained in this manner closely resembled those derived from fully quantum chemical calculations performed from the outset. To reestablish our approach we have calculated several thermodynamic properties like vertical ionization potential (IP _v ), vertical electron affinity (EA _v ), Second-order difference of total energy ( Δ ^2 E), formation energy (E _f ), nucleation energy (E _N ), HOMO–LUMO gaps(E _g ) and spectral properties for all the stable geometries of (CdO) _n for the size range of n=1 to 12 and the results obtained are also in close correspondence with many of the previous theoretical and experimental findings.
