Synthesis, crystal structure, optical, thermal, mechanical, dielectric and DFT studies of 3, 5-dimethylprazole:1,3,5-benzene tricarboxylic acid molecular adduct crystal

An organic molecular adduct, 3, 5-Dimethylpyrazole:1,3,5-benzene tricarboxylic acid was synthesized and single crystals grown in methanol-acetone (1:1) solvent mixture by slow solvent evaporation solution growth technique at room temperature. The formation of the molecular adduct and crystal structure have been confirmed by single crystal X-ray diffraction studies and NMR spectroscopic techniques. Further, the title crystal belongs to monoclinic crystal system with space group, P21/c and the supramolecular architecture of adduct involves extensive intermolecular O-H�N, N-H�O, O-H�O and C-H�O hydrogen bonding interactions. UV�Vis-NIR spectrum was recorded to find out the lower cut-off wavelength, percentage transmission and optical band gap energy. The fluorescence properties of the title crystal were identified by Photoluminescence spectral studies. Fourier transform infrared (FT-IR) spectral analysis was carried out to confirm the presence of various functional groups in the grown crystal. The quantum chemical analyses were performed by density functional theory (DFT) using B3LYP/6-311G (d,p) basis set. The thermal and mechanical properties of the grown crystal have been investigated by TG/DTA analyses and Vickers micro hardness measurement, respectively. The dielectric behaviours of title single crystal have also been investigated as a function of frequency at different temperatures

Effect of Charging and Discharging Process of PCM with Paraffin and Al2O3Al_2O_3 Additive Subjected to Three Point Temperature Locations

This analysis focused on investigating thermal storage behaviour on phase change material along with $Al_2O_3$ as an additive. The experimental investigation was performed by three set temperature points, i.e. 40 °C, 50 °C and 60 °C with the mass circulation rate through the tank of 5 kg/min, 3 kg/min and 2 kg/min. The forced circulation method was used to circulate the liquid, water was used as a working medium and $Al_2O_3$ as nano particle. Paraffin acts a phase change material to conduct the experimental procedure. The combination of paraffin with $Al_2O_3$ improves the latent heat storage of the material. The performance, with respect to charging and discharging of the material, was investigated and it was observed that the temperature location point of 50 °C shows the best results in terms of charging and discharging phenomena, compared to other two temperature location points. During the process of charging, the maximum rate of heat transfer can be achieved by $Al_2O_3$ nanofluids. Paraffin along with $Al_2O_3$ are characterized by the best thermal storage behaviour during the latent heat storage at charging process and dissipation of heat during discharge process. The rapid cooling comparison for three set location points has been studied and best solidification was achieved at the point of 60 °C; this is due to the rapid cooling at higher elevation temperatures. The energy that was stored in thermal form is to be transferred with the aid of heat exchanger, a special type heat exchanger employed in this analysis to transfer the heat. From this analysis it is concluded that paraffin with $Al_2O_3$ are characterized by the best performance in terms of the charging and discharging phenomenon

Rhodamine based “turn–on” molecular switch FRET–sensor for cadmium and sulfide ions and live cell imaging study

A novel fluorescent chemosensor based on a rhodamine derivative (RBD4) was designed, synthesized, and used as a selective Cd2+ ion sensor. The structure of the fluorescence sensor (RBD4) is confirmed through single crystal X-ray study. On the basis of the Förster resonance energy transfer mechanism between rhodamine and pyridine conjugated dyad, a new colorimetric as well as fluorescence probe was synthesized for the selective detection of Cd2+. This sensor shows high selectivity towards Cd2+ ions in the presence of other competing metal ions. On the basis of thorough experimental and theoretical findings, the additions of Cd2+ ions to the solution of RBD4 helps to generate a new fluorescence peak at 590nm due to the selective binding of Cd2+ ions with RBD4 in a 1: 1 ratio with a binding constant (K) of 4.2524×104M−1. The detection limit of RBD4 for Cd2+ was 1.025×10−8M, which presented a pronounced sensitivity towards Cd2+. The in situ generated RBD4–Cd2+ complex is able to selectively sense S2− over other anions based on the displacement approach, given a remarkable recovery of fluorescence and UV–vis absorption spectra. The fluorescence sensor has also exhibited very good results in HeLa Cells imaging under physiological pH

Synthesis of rhodamine based organic nanorods for efficient chemosensor probe for Al (III) ions and its biological applications

A novel highly selective rhodamine based organic nanorods (ONRs) was successfully designed and synthesised, which showed both absorption and fluorescence turn-on responses for Al3+ ions in aqueous solution. The ONRs possess strong fluorescence emission in aqueous solution. These spectral changes are sufficient to detection of Al3+ ions in the visible region of the spectrum and thus support naked eye detection. The aforesaid studies reveal that ONRs−Al3+ complex is highly selective and fully reversible in presence of sulphide anions. This study raises the new possibility of a highly selective and sensitive ONRs having multifunctional detection, including cation and anions, using a successive fluorescence response strategy in biological systems. Besides, the fluorescence microscopic studies confirmed that the fluorescent probe ONRs could be used as an imaging probe for detection of uptake of Al3+ ions in HeLa cells