Synthesis of Intrinsically-Fluorescent Aliphatic Tautomeric Polymers for Proton-Conductivity, Dual-State Emission, and Sensing/Oxidation-Reduction of Metal Ions.

Herein, fluorescent conducting tautomeric polymers (FCTPs) are developed by polymerizing 2-methylprop-2-enoic acid (MPEA), methyl-2-methylpropenoate (MMP), N-(propan-2-yl)prop-2-enamide (PPE), and in situ-anchored 3-(N-(propan-2-yl)prop-2-enamido)-2-methylpropanoic acid (PPEMPA). Among as-synthesized FCTPs, the most promising characteristics in FCTP3 are confirmed by NMR and Fourier transform infrared (FTIR) spectroscopies, luminescence enhancements, and computational studies. In FCTP3, ─C(═O)NH─, -C(═O)N<, ─C(═O)OH, and ─C(═O)OCH3 subluminophores are identified by theoretical calculations and experimental analyses. These subluminophores facilitate redox characteristics, solid state emissions, aggregation-enhanced emissions (AEEs), excited-state intramolecular proton transfer (ESIPT), and conductivities in FCTP3. The ESIPT-associated dual emission/AEEs of FCTP3 are elucidated by time correlated single photon counting (TCSPC) investigation, solvent polarity effects, concentration-dependent emissions, dynamic light scattering (DLS) measurements, field emission scanning electron microscopy images, and computational calculations. The cyclic voltammetry measurements of FCTP3 indicate cumulative redox efficacy of ─C(═O)OH, ─C(═O)NH─/-C(═O)N<, ─C(─O─)═NH+─/─C(─O─)═N+, and ─C(═N)OH functionalities. In FCTP3, ESIPT-associated dual-emission enable in the selective detection of Cr(III)/Cu(II) at λem1/λem2 with the limit of detection of 0.0343/0.079 ppb. The preferential interaction of Cr(III)/Cu(II) with FCTP3 (amide)/FCTP3 (imidol) and oxidation/reduction of Cr(III)/Cu(II) to Cr(VI)/Cu(I) are further supported by NMR-titration; FTIR and X-ray photoelectron spectroscopy analyses; TCSPC/electrochemical/DLS measurement; alongside theoretical calculations. The proton conductivity of FCTP3 is explored by electrochemical impedance spectroscopy and I-V measurements.

2-Pyridone-Directed CuII-Catalyzed General Method of C(sp2)-H Activation for C-S, C-Se, and C-N Cross-Coupling: Easy Access to Aryl Thioethers, Selenide Ethers, and Sulfonamides and DFT Study.

We have demonstrated N-substituted 2-pyridones as an N,O-directing group for selective C(sp2)-H-activated thiolation, selenylation, and sulfonamidation of ortho C-H bonds of benzamides. This method utilizes a cost-effective Cu(II)-salt catalyst instead of precious metal catalysts, achieving high yields, including gram-scale synthesis and excellent functional group tolerance. We applied this protocol to access 30 different compounds with high yields, demonstrating thiolation of fluorine-substituted benzamides as well. Density functional theory (DFT) calculations support the mechanism, including acetate-supported concerted metalation deprotonation (CMD) steps and the unique role of dimethyl sulfoxide (DMSO) solvent. The facile synthesis of pharmaceutically important sulfonamides and other compounds highlights the method's potential in chemistry and medicinal chemistry.

Facile Synthesis of gC3N4-Exfoliated BiFeO3 Nanocomposite: A Versatile and Efficient S-Scheme Photocatalyst for the Degradation of Various Textile Dyes and Antibiotics in Water.

Water pollution engendered from textile dyes and antibiotics is a globally identified precarious concern that is causing dreadful risks to human health as well as aquatic lives. This predicament is escalating the quest to develop competent photocatalysts that can degrade these water pollutants under solar light irradiation. Herein, we report an efficient photocatalyst comprising a hierarchical structure by integrating the layered graphitic carbon nitride (gC3N4) with nanoflakes of exfoliated BiFeO3. The coexistence of these two semiconducting nanomaterials leads to the formation of an S-scheme heterojunction. This nanocomposite demonstrated its excellent photocatalytic activity toward the degradation of several textile dyes (Yel CL2R, Levasol Yellow-CE, Levasol Red-GN, Navy Sol-R, Terq-CL5B) and various antibiotics (such as tetracycline hydrochloride (TCH), ciprofloxacin (CPX), sulfamethoxazole (SMX), and amoxicillin (AMX)) under the simulated solar light irradiation. As this photocatalyst exhibits its versatile activity toward the degradation of several commercial dyes as well as antibiotics, this work paves the path to develop a reasonable, eco-benign, and highly efficient photocatalyst that can be used in the practical approach to remediate environmental pollution.

Concentration- and Solvent-Induced Chiral Tuning by Manipulating Non-Proteinogenic Amino Acids in Glycoconjugate Supra-Scaffolds: Interaction with Protein, and Streptomycin Delivery.

We showed solvent- and concentration-triggered chiral tuning of the fibrous assemblies of two novel glycoconjugates Z-P(Gly)-Glu and Z-F(4-N)-Glu made by chemical attachment of Cbz-protected [short as Z)] non-proteinogenic amino acids L-phenylglycine [short as P(Gly)] and 4-Nitro-L-phenylalanine [short as F(4-N)] with D-glucosamine [short as Glu]. Both biomimetic gelators can form self-healing and shape-persistent gels with a very low critical gelator concentration in water as well as in various organic solvents, indicating they are ambidextrous supergelators. Detailed spectroscopic studies suggested ß-sheet secondary structure formation during anisotropic self-aggregation of the gelators which resulted in the formation of hierarchical left-handed helical fibers in acetone with an interlayer spacing of 2.4 nm. After the physical characterization of the gels, serum protein interaction with the gelators was assessed, indicating they may be ideal for biomedical applications. Further, both gelators are benign, non-immunogenic, non-allergenic, and non-toxic in nature, which was confirmed by performing the blood parameters and liver function tests on Wister rats. Streptomycin-loaded hydrogels showed efficacious antibacterial activity in vitro and in vivo as well. Finally, cell attachment and biocompatibility of the hydrogels were demonstrated which opens a newer avenue for promising biomedical and therapeutic applications.

CuII-Catalyzed cis-Selective Synthesis of Ketoepoxides from Phenacyl Bromides and Water.

A verity of α,ß-ketoepoxides was synthesized using a CuII-catalyzed oxidative C-C/O-C coupled cyclization strategy with high yield and cis-selectivity. Water is used as the source of oxygen and phenacyl bromide as the carbon in the valuable epoxides. The self-coupling method was extended to cross-coupling between phenacyl bromides with benzyl bromides. A high cis-diastereoselectivity was observed in all the synthesized ketoepoxides. Control experiments and density functional theory (DFT) study were performed to understand the CuII-CuI transition mechanism.

Bio-functionalized magnetic nanoparticles for cost-effective adsorption of U(vi): experimental and theoretical investigation.

U(vi) removal using cost-effective (production cost: $14.03 per kg), biocompatible, and superparamagnetic Cinnamomum tamala (CT) leaf extract-coated magnetite nanoparticles (CT@MNPs or CT@Fe3O4 nanoparticles) from water resources was studied. From pH-dependent experiments, the maximum adsorption efficiency was found to be at pH 8. Isotherm and kinetic studies were performed and found to follow Langmuir isotherm and pseudo-second order kinetics, respectively. The maximum adsorption capacity of CT@MNPs was calculated to be 45.5 mg of U(vi) per g of nanoparticles (NPs). Recyclability studies suggest that over 94% sorption was retained even after four consecutive cycles. The sorption mechanism was explained by the point of the zero-charge experiment and the XPS measurement. Additionally, calculations using density functional theory (DFT) were carried out to support the experimental findings.

Designed and synthesizedde novoANTPABA-PDI nanomaterial as an acceptor in inverted solar cell at ambient atmosphere.

In this work, a novel soluble and air-stable electron acceptor containing perylenediimide moiety named ANTPABA-PDI was designed and synthesized with band gap 1.78eV and that was used as non-fullerene acceptor material. ANTPABA-PDI possess not only good solubility but also much lower LUMO (lowest unoccupied molecular orbital) energy level. Furthermore, its excellent electron acceptor capability also supported by density functional theory calculation which validates the experimental observations. Inverted organic solar cell has been fabricated using ANTPABA-PDI along with P3HT as standard donor material in ambient atmosphere. The device, after characterization in open air, exhibited a power conversion efficiency of 1.70%. This is the first ever PDI based organic solar cell that has been fabricated completely in ambient atmosphere. The characterizations of the device have also been performed in ambient atmosphere. This kind of stable organic material can easily be used in fabricating organic solar cell and therefore it can be used as the best alternative as non-fullerene acceptor materials.

Exploration of Diverse Interactions of l-Methionine in Aqueous Ionic Liquid Solutions: Insights from Experimental and Theoretical Studies.

Here, we have investigated some physicochemical parameters to understand the molecular interactions by means of density (ρ) measurement, measurement of viscosity (η), refractive index(n D) measurement, and conductance and surface tension measurements between two significant aqueous ionic liquid solutions: benzyl trimethyl ammonium chloride (BTMAC) and benzyl triethyl ammonium chloride (BTEAC) in an aqueous l-methionine (amino acid) solution. The apparent molar volume (Φv), coefficient of viscosity (B), and molar refraction (R M) have been used to analyze the molecular interaction behavior associated in the solution at various concentrations and various temperatures. With the help of some important equations such as the Masson equation, the Jones-Doles equation, and the Lorentz-Lorenz equation, very significant parameters, namely, limiting apparent molar volumes (Φv 0 ), coefficient of viscosity (B), and limiting molar refraction (R M 0), respectively, are obtained. These parameters along with specific conductance (κ) and surface tension (σ) are very much helpful to reveal the solute-solvent interactions by varying the concentration of solute molecules and temperature in the solution. Analyses of Δµ1 0#, Δµ2 0#, TΔS 2 0#, ΔH 2 0#, and thermodynamic data provide us valuable information about the interactions. We note that l-Met in 0.005 molality BTEAC ionic liquid at 308.15 K shows maximum solute-solvent interaction, while l-Met in 0.001 molality BTMAC aqueous solution of ionic liquid at 298.15 K shows the minimum one. Spectroscopic techniques such as Fourier transform infrared (FTIR), 1H-NMR, and UV-vis also provide supportive information about the interactions between the ionic liquid and l-methionine in aqueous medium. Furthermore, adsorption energy, reduced density gradient (RDG), and molecular electrostatic potential (MESP) maps obtained by the application of density functional theory (DFT) have been used to determine the type of interactions, which are concordant with the experimental observations.

Comparative study of the efficiency of silicon carbide, boron nitride and carbon nanotube to deliver cancerous drug, azacitidine: A DFT study.

Herein we have made a comparative study of the efficiency of three different nanotubes viz. Carbon nanotube (CNT), boron nitride nanotube (BNNT) and silicon carbide nanotube (SiCNT) to deliver the cancerous drug, Azacitidine (AZD). The atomistic description of the encapsulation process of AZD in these nanotubes has been analyzed by evaluating parameters like adsorption energy, electrostatic potential map, reduced density gradient (RDG). Higher adsorption energy of AZD with BNNT (-0.66eV), SiCNT (-0.92eV) compared to CNT (-0.56eV) confirms stronger binding affinity of the drug for the former than the later. Charge density and electrostatic potential map suggest that charge separation involving BNNT and CNT is more prominent than SiCNT. Evaluation of different thermodynamic parameters like Gibbs free energy, enthalpy change revealed that the overall encapsulation process is spontaneous and exothermic in nature and much favorable with BNNT and SiCNT. Stabilizing interactions of the drug with BNNT and SiCNT has been confirmed from RDG analysis. ADMP molecular dynamics simulation supports that the encapsulation process of the drug within the NT at room temperature. These results open up unlimited opportunities for the applications of these NTs as a drug delivery system in the field of nanomedicine.

Assembled Bisphenol A with cyclic oligosaccharide as the controlled release complex to reduce risky effects.

Herein, in order to improve the bioavailability of a non-biodegradable pollutant, inclusion complexation procedures had been used to develop better formulations of this pollutant, Bisphenol A (BPA). In our research, an inclusion complex (IC) of ß-cyclodextrin (ß-CD) with BPA was formed to investigate the effect of ß-CD on the water solubility, anti-oxidant, anti-bacterial activity, toxicity, and thermal stability of BPA. UV-Vis and other spectrometric methods such as NMR, FTIR, and XRD indicated the molecular mechanism of interactions between ß-CD and BPA, which was further hypothesized using molecular modeling to confirm preliminary results. Studies of TGA and DSC demonstrated that encapsulation boosted the thermal stability of BPA. This research also makes predictions about BPA's release behavior when CT-DNA is present. In vitro testing of the IC's antibacterial activities showed that it outperformed pure BPA. The in silico study was found to have a considerable decrease in toxicity level for IC compared to pure BPA. Therefore, ß-CD-encapsulated BPA can lessen toxicity by raising antioxidant levels. Additionally, as its antibacterial activity increases, it may be employed therapeutically. Thus, this discovery of creating BPA formulations with controlled release and/or protective properties allows for a more logical application of BPA by reducing its hazardous effects through boosting its efficacy.

GA-AuNP@Tollens' complex as a highly sensitive plasmonic nanosensor for detection of formaldehyde and benzaldehyde in preserved food products.

Food preservatives nowadays are widely used chemicals throughout the food industries due to their commercial importance in increasing the shelf life of foods. But daily consumption of these preserved food products may be fatal to human health. Among different aldehydic compounds, formaldehyde and benzaldehyde are mainly used for preservation. Therefore, we reported a study on simple, selective and sensitive non-enzymatic detection of formaldehyde and benzaldehyde using GA-AuNP@Tollens'. Plasmonic resonance of GA-AuNP@Tollens' was taken as the basis for sensing formaldehyde and benzaldehyde in the linear range of 10-150 nM and 0.15-0.75 µM respectively. Both optimization and detection were acquired at UV absorbance of 409 nm. Detection limit of formaldehyde and benzaldehyde obtained through the proposed method was 20.08 nM and 0.12 µM respectively. Smartphone based detection method showed good linearity with R-Square value of 0.95 for both analytes. Lastly, GA-AuNP@Tollens' was implemented for the quantification of analytes in real samples.

Is degradation of dyes even possible without using photocatalysts? - a detailed comparative study.

Herein, catalyst-free, eco-friendly, photo-triggered, self-degradation of malachite green (MG) and crystal violet (CV) dyes in comparison to photocatalytic degradation were investigated. To the best of our knowledge, this is the first systematic study to demonstrate the reactive oxygen species (ROS), electron (e-) and hole (h+) generation ability of dyes to initiate self-degradation in the presence of direct solar energy (a free source of UV radiation) and UV light (254 and 365 nm). Various experimental conditions, e.g., different dye concentrations, pH, vessel-materials (borosilicate glass and quartz) were optimized to achieve the optimum degradation outcomes. The degradation kinetics of dyes suggested the applicability of second-order-kinetics to all kinds of applied light sources. Investigation of the thermodynamic approach reveals that the self-degradation procedure was endothermic, with activation energies of 46.89 and 52.96 kJ mol-1, respectively, for MG and CV. The self-degradation mechanism was further corroborated by the quantum calculations, while the formation of final degraded products for dye-degradations was established on the basis of mass spectroscopy and total organic carbon (TOC) analysis. The computed emission energies for MG and CV advocate that the excitation energy occurs due to the sole-attribution electron excitation from the Highest Occupied Molecular Orbital (HOMO) to the Lowest Unoccupied Molecular Orbital (LUMO). The close energy difference between the hydroxyl anions and the dyes also facilitates the creation of the hydroxyl radical. In a similar manner, the excited electrons from the aforementioned dyes may readily be transferred to triplet molecular oxygen, which makes it possible to generate super oxide. The radical generated in the process facilitates the self-degradation of the dyes.

Exploring inclusion complex of an anti-cancer drug (6-MP) with ß-cyclodextrin and its binding with CT-DNA for innovative applications in anti-bacterial activity and photostability optimized by computational study.

The co-evaporation approach was used to examine the host-guest interaction and to explore the cytotoxic and antibacterial properties of an important anti-cancer medication, 6-mercaptopurine monohydrate (6-MP) with ß-cyclodextrin (ß-CD). The UV-Vis investigation confirmed the inclusion complex's (IC) 1 : 1 stoichiometry and was also utilized to oversee the viability of this inclusion process. FTIR, NMR, and XRD, among other spectrometric techniques, revealed the mechanism of molecular interactions between ß-CD and 6-MP which was further hypothesized by DFT to verify tentative outcomes. TGA and DSC studies revealed that 6-MP's thermal stability increased after encapsulation. Because of the protection of drug 6-MP by ß-CD, the formed IC was found to have higher photostability. This work also predicts the release behavior of 6-MP in the presence of CT-DNA without any chemical changes. An evaluation of the complex's antibacterial activity in vitro revealed that it was more effective than pure 6-MP. The in vitro cytotoxic activity against the human kidney cancer cell line (ACHN) was also found to be significant for the IC (IC50 = 4.18 µM) compared to that of pure 6-MP (IC50 = 5.49 µM). These findings suggest that 6-MP incorporation via ß-CD may result in 6-MP stability and effective presentation of its solubility, cytotoxic and antibacterial properties.

Intrinsic Light-Activated Oxidase Mimicking Activity of Conductive Polyaniline Nanofibers: A Class of Metal-Free Nanozyme.

In recent decades, studies have focused on inorganic nanozymes to overcome the intrinsic drawbacks of bioenzymes due to the demands of improving the reaction conditions and lack of robustness to harsh environmental factors. Many biochemical reactions catalyzed by enzymes require light activation. Light-activated nanozymes have distinct advantages, including being regulated by light stimuli, activating the molecular oxygen to produce reactive oxygen species (ROS) without interfering supplementary oxidants, and often showing a synergistic effect to catalyze some challenging reactions. Only a few studies have been done on this connection. Therefore, it is still a big challenge to develop a nanozyme regulated by light activation. Herein, we uncovered the light-activated oxidase mimicking activity of a conducting polymer polyaniline nanofibers (PANI-NFs). PANI-NFs exhibit intrinsic light-activated brilliant oxidase-like activity, can catalyze the colorless tetramethyl benzidine (TMB) to produce a blue product TMBox, and have a distinct Km = 0.087 mM and a high Vmax = 2.32 µM min-1 value, measured by using Hanes-Woolf kinetics. We also report the light-activated oxidase activity of some other renowned carbocatalysts graphene oxide and graphitic carbon nitride and compare them with PANI-NFs. This type of property shown by the conductive polymer is amazing. The density functional theory is used to verify the stability and the mode of adsorption of the PANI NFs-TMB composite, which corroborates the experimental results. Furthermore, the current nanozyme demonstrated a significant ability to kill both Gram-negative and Gram-positive bacteria as well as effectively destroy biofilms under physiological conditions. We believe that this work provides the motivation to create a link between optoelectronics and biological activity in the near future.

Probing the Molecular Assembly of a Metabolizer Drug with ß-Cyclodextrin and Its Binding with CT-DNA in Augmenting Antibacterial Activity and Photostability by Physicochemical and Computational Methodologies.

The assembly of an inclusion complex in an aqueous medium using a metabolizer drug (dyphylline) as guest and ß-cyclodextrin as host has been established, which is extremely appropriate for a variety of applications in modern biomedical sciences. The formation of the inclusion complex is established by 1H NMR, and surface tension and conductivity measurements demonstrate that the inclusion complex was produced with 1:1 stoichiometry. The thermodynamic parameters based on density, viscosity, and refractive index measurements were used to determine the nature of the complex. This research also forecasts how dyphylline will release in the presence of CT-DNA without any chemical modifications. The produced insertion complex (IC) has a higher photostability due to the drug dyphylline being protected by ß-CD. The antibacterial activity of dyphylline greatly improved after complexation and exhibited higher toxicity against Gram-negative (highest against Escherichia coli) in comparison to Gram-positive bacteria. The encapsulation mode of the dyphylline molecule into the cavity of the ß-CD was also investigated using DFT to confirm preliminary results.

CoFe2O4 Nanoparticles Grown within Porous Al2O3 and Immobilized on Graphene Nanosheets: A Hierarchical Nanocomposite for Broadband Microwave Absorption.

Demands to develop efficient microwave-absorbing materials are increasing with the advancement of information technology and the exponential rise in the usage of electromagnetic devices. To reduce electromagnetic interference and to overcome the adverse effects caused by microwave exposure resulting from the excessive usage of electromagnetic devices, microwave absorbers are very necessary. In addition, radar-absorbing materials are essential for stealth technology in military applications. Herein, we report a nanocomposite in which CoFe2O4 (CF) nanoparticles were grown within the porous structure of Al2O3 (PA), and this CoFe2O4-loaded Al2O3 (PA-CF) nanocomposite was immobilized on the surface of nanometer-thin graphene sheets (Gr). Owing to the hierarchical structure created by the constituents, the (60PA-40CF)90-Gr10 nanocomposite exhibited excellent microwave-absorption properties in the X-band region with a reflection loss (RL) value of ∼-30.68 dB (∼99.9% absorption) at 10.71 and 9.04 GHz when thicknesses were 2.0 and 2.3 mm, respectively. This nanocomposite demonstrated its competence as a lightweight, high-performance microwave absorber in the X-band region, which can be utilized in the applications of pioneering stealth technology.

Solvent- and Substrate-Induced Chiroptical Inversion in Amphiphilic, Biocompatible Glycoconjugate Supramolecules: Shape-Persistent Gelation, Self-Healing, and Antibacterial Activity.

We have shown solvent- and substrate-dependent chiral inversion of a few glycoconjugate supramolecules. (Z)-F-Gluco, in which d-glucosamine has been attached chemically to Cbz-protected l-phenylalanine at the C terminus, forms a self-healing hydrogel through intertwining of the nanofibers wherein the gelators undergo lamellar packing in the ß-sheet secondary structures with a single chiral handedness. Dihybrid (Z)-F-gluco nanocomposite gel was prepared by in-situ formation of silver nanoparticles AgNPs in the gel; this enhances the mechanical properties of the composite gel through physical crosslinking without altering the packing pattern. In contrast, (Z)-L-gluco bearing an l-leucine moiety does not form a hydrogel but an organogel. Interestingly, the chiral handedness of the aggregates of (Z)-L-gluco can be reversed by choosing suitable solvents. In addition to self-healing behavior, (Z)-L-gluco gel revealed shape persistency. Further, (Z)-F-gluco hydrogel is benign, nontoxic, non-immunogenic, and non-allergenic in animal cells. AgNP-loaded (Z)-F-gluco hydrogel showed antibacterial activity against both Gram-positive and Gram-negative bacteria.

Repurposing of anti-lung cancer drugs as multi-target inhibitors of SARS-CoV-2 proteins: An insight from molecular docking and MD-simulation study.

Herein we have selected seventeen anti-lung cancer drugs to screen against Mpro, PLpro and spike glycoproteins of SARS-CoV-2to ascertain the potential therapeutic agent against COVID-19. ADMET profiling were employed to evaluate their pharmacokinetic properties. Molecular docking studies revealed that Capmatinib (CAP) showed highest binding affinity against the selected proteins of SARS-CoV-2. Molecular Dynamics (MD) simulation and the analysis of RMSD, RMSF, and binding energy confirmed the abrupt conformational changes of the proteins due to the presence of this drug. These findings provide an opportunity for doing advanced experimental research to evaluate the potential drug to combat COVID-19.

Ratiometric pH Sensing, Photophysics, and Cell Imaging of Nonaromatic Light-Emitting Polymers.

Here, four nontraditional fluorescent polymers (NTFPs) of varying N,N-dimethyl-2-propenamide (DMPA) and butyl prop-2-enoate (BPE) mole ratios, i.e., 2:1 (NTFP1), 4:1 (NTFP2), 8:1 (NTFP3), and 16:1 (NTFP4), are prepared via random polymerization in water. The maximum fluorescence enhancement of NTFP3 makes it suitable for ratiometric pH sensing, Cu(II) sensing, and pH-dependent cell imaging of Madin-Darby canine kidney (MDCK) cells. The oxygen donor functionalities of NTFP3 involved in binding and sensing with Cu(II) ions are studied by absorption, emission, electron paramagnetic resonance, Fourier transform infrared (FTIR), and O1s/Cu2p X-ray photoelectron spectroscopies (XPS). The spectral responses of the ratiometric pH sensor within 1.5-11.5 confirm 22 and 44 nm red shifts in absorption and ratiometric emission, respectively. The striking color changes from blue (436 nm) to green (480 nm) via an increase in pH are thought to be the stabilization of the charged canonical form of tertiary amide, i.e., -C(O-)═N+(CH3)2, realized from the changes in the absorption/fluorescence spectra and XPS/FTIR analyses. The through-space n-π* interactions in the NTFP3 aggregate, N-branching-associated rigidity, and nonconventional intramolecular hydrogen bondings of adjacent NTFP3 moieties in the NTFP3 aggregate contribute to aggregation-enhanced emissions (AEEs). Here, structures of NTFP3, NTFP3 aggregate, and Cu(II)-NTFP3; absorption; n-π* interactions; hydrogen bondings; AEEs; and binding with Cu(II) are ascertained by density functional theory, time-dependent density functional theory, and reduced density gradient calculations. The excellent limits of detection and Stern-Volmer constants of NTFP3 are 2.24 nM/0.14234 ppb and 4.26 × 103 M-1 at pH = 6.5 and 0.95 nM/0.06037 ppb and 4.90 × 103 M-1 at pH = 8.0, respectively. Additionally, the Stokes shift and binding energy of NTFP3 are 13,636 cm-1/1.69 eV and -4.64 eV, respectively. The pH-dependent MDCK cell imaging ability of noncytotoxic NTFP3 is supported via fluorescence imaging and 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay.

CoFe2O4 Hollow Spheres-Decorated Three-Dimensional rGO Sponge for Highly Efficient Electrochemical Charge Storage Devices.

The energy demand, the crisis of fossil fuels, and the increasing popularity of portable and wearable electronics in the global market have triggered the demand to develop high-performance flexible all-solid-state supercapacitors that are capable of delivering high energy at high power density as well as being safely entrenched in those electronics. Herein, we have designed a nanocomposite, 80CFhs-20rGOsp, which exhibits a high specific capacitance (C S) value of 1032 F g-1 at 3 A g-1. Utilizing this nanocomposite as the cathode and reduced graphene oxide sponge (rGOsp) as the anode, a flexible all-solid-state asymmetric device has been fabricated. In this device, poly(vinyl alcohol) (PVA) gel embedded with a mixture of 3 M KOH and 0.1 M K4[Fe(CN)6] was used as an electrolyte cum separator. The fabricated device showed the capability to deliver an energy density of 65.8 W h kg-1 at a power density of 1500 W kg-1 and retained its capability even after various physical deformations. The device also exhibited a long cycle life and retained ∼96% of its C S value after 5000 cycles. Moreover, the fabricated flexible all-solid-state device successfully illuminated light-emitting diodes, which proved its potential use in real-life supercapacitor applications. The obtained results revealed the excellent electrochemical performances of the fabricated device and rendered it a promising candidate in the energy sector.