Synthesis of Biogenic Hematite Nanocubes as Recyclable Dark Fenton-like Catalysts at Neutral pH and Plant Growth Applications of Degraded Waste Water.

The goal of this study is to fabricate bioinspired metal oxide nanocubes from lemon peel extract in an environmentally friendly manner and evaluate its impact on environmental remediation. In neutral pH, the degradation kinetics of methylene blue dye (MB) in the aqueous phase was investigated using iron oxide nanoparticles as a catalyst. The obtained results revealed that under optimum conditions, synthesized Fe2O3 nanoparticles (IONPs) offered ultrafast dark Fenton-like reaction to degrade MB. The size, morphological structures, and stability were confirmed through dynamic light scattering, field emission scanning electron microscopy, X-ray diffraction, and ζ potential analysis. The overall environmental impact of the process was assessed by growing wheat plants with treated wastewater and evaluating their biochemical attributes. Antibacterial activity was investigated against Gram-positive (Bacillus megaterium, Bacillus subtilis) and Gram-negative (Escherichia coli, Salmonella typhimurium) aerobics and Gram-positive cocci (Staphylococcus aureus). The antifungal activity was measured against Fusarium solani by spore germination inhibition and zone inhibition of fungal pathogens for different nanocube concentrations.

Correction to "Synthesis and Characterization of an Inclusion Complex of dl-Aminoglutethimide with ß-Cyclodextrin and Its Innovative Application in a Biological System: Computational and Experimental Investigations".

[This corrects the article DOI: 10.1021/acsomega.2c00011.].

Synthesis and Characterization of an Inclusion Complex of dl-Aminoglutethimide with ß-Cyclodextrin and Its Innovative Application in a Biological System: Computational and Experimental Investigations.

Our present study intended to investigate the encapsulation of DL-AGT within the lipophilic cavity of a ß-CD molecule. The consequential inclusion system was characterized by UV-visible spectroscopy and 1H NMR, PXRD, SEM, and FT-IR studies. Molecular docking was performed for the inclusion complex to discover the most proper orientation, and it was seen that the drug DL-AGT fits into the cavity of ß-CD in a 1:1 ratio, which was also confirmed from the Job plot. Furthermore, a comparison was done on the basis of cell viability between the drug and its inclusion complex.

ß-Cyclodextrin-Stabilized Biosynthesis Nanozyme for Dual Enzyme Mimicking and Fenton Reaction with a High Potential Anticancer Agent.

The myth of inactivity of inorganic materials in a biological system breaks down by the discovery of nanozymes. From this time, the nanozyme has attracted huge attention for its high durability, cost-effective production, and easy storage over the natural enzyme. Moreover, the multienzyme-mimicking activity of nanozymes can regulate the level of reactive oxygen species (ROS) in an intercellular system. ROS can be generated by peroxidase (POD), oxidase (OD), and Fenton-like catalytic reaction by a nanozyme which kills the cancer cells by oxidative stress; therefore, it is important in CDT (chemo dynamic therapy). Our current study designed to investigate the enzyme mimicking behavior and anticancer ability of cerium-based nanomaterials because the cerium-based materials offer a high redox ability while maintaining nontoxicity and high stability. Our group synthesized CeZrO4 nanoparticles by a green method using ß-cyclodextrin as a stabilizer and neem leaf extract as a reducing agent, exhibiting POD- and OD-like dual enzyme activities. The best enzyme catalytic activity is shown in pH = 4, indicating the high ROS generation in an acidic medium (tumor microenvironment) which is also supported by the Fenton-like behavior of CeZrO4 nanoparticles. Inspired by the high ROS generation in vitro method, we investigated the disruption of human kidney cells by this nanoparticle, successfully verified by the MTT assay. The harmful effect of ROS in a normal cell is also investigated by the in vitro MTT assay. The results suggested that the appreciable anticancer activity with minimal side effects by this synthesized nanomaterial.

Periodically-ordered one and two dimensional CdTe QD superstructures: a path forward in photovoltaics.

By using the state-of-the-art theoretical method, we herein explore the potentiality of covalently linked periodically-ordered 1D chain, 2D hexagonal and square ordered superstructures of CdTe QDs in photovoltaics. One of the major factors that controls the photovoltaic efficiency is the electron-hole recombination which in turn depends on the spatial separation of these charge carriers. Our theoretical findings show that the HOMO and LUMO states are localized at two different ends of the assembled superstructures. This result indicates large spatial separation of photoexcited charge carriers which prolongs the carrier lifetime and thus reduces the chance of electron-hole recombination. We have also attached an acceptor fullerene molecule with the CdTe QD superstructure and studied the electronic structure of the composite system. The photoexcited electrons of the assembled QDs potentially transfer to the low energy lying conduction band of fullerene and show a large spatial charge separation. The assembled QD-fullerene composites exhibit a high photoconversion efficiency of 19.3%, opening up new possibilities for designing efficient solar energy harvesting devices based on assembled QDs.

Study to Probe Subsistence of Host-Guest Inclusion Complexes of α and ß-Cyclodextrins with Biologically Potent Drugs for Safety Regulatory Dischargement.

Host-guest interaction of two significant drugs, phenylephrine hydrochloride and synephrine with α and ß-cyclodextrins were studied systematically. Initially two simple but reliable physicochemical techniques namely conductance and surface tension were employed to find out saturation concentration for the inclusion and its stoichiometry. The obtained 1:1 stoichiometry was further confirmed by two spectrometric methods, UV-Vis study and spectrofluorimetry. Significant shifts in IR stretching frequency also support the inclusion process. Relative stabilities of the inclusion complexes were established by the association constants obtained from UV-Vis spectroscopic measurements, program based mathematical calculation of conductivity data. Calculations of the thermodynamic parameters dictates thermodynamic feasibility of the inclusion process. Spectrofluorometric measurement scaffolds the UV-Vis spectroscopic measurement validating stability of the ICs once again. Mass spectroscopic measurement gives the molecular ion peaks corresponding to the inclusion complex of 1:1 molar ratio of host and guest molecules. The mechanism of inclusion was drawn by 1H-NMR and 2D ROESY spectroscopic analysis. Surface texture of the inclusion complexes was studied by SEM. Finally, the cytotoxic activities of the inclusion complexes were analyzed and found, Cell viability also balances for non-toxic behavior of the ICs. Moreover, all the studies reveal the formation of inclusion complexes of two ephedra free, alternatively emerging drugs (after their banned product having ephedra) SNP, PEH with α and ß-CD which enriches the drug delivery system with their regulatory release without any chemical modification.

Evidences for Inclusion and Encapsulation of an Ionic liquid with ß-CD and 18-C-6 in Aqueous Environments by Physicochemical Investigation.

The interface between pyrrolidinium-based ionic liquid, i.e., 1-ethyl-1-methylpyrrolidinium bromide, with ß-cyclodextrin and 18-crown-6 solution have been compared and explored by means of density, viscosity, refractive index, electrical conductance and surface tension, FTIR, 1H nuclear magnetic resonance, 2D ROESY NMR, and high resolution mass spectroscopy studies. Limiting apparent molar volumes (ϕV0), experimental slopes (SV*) interpreted in terms of inclusion and interaction (ion-solvent, ion-ion). Establishment of binding affinity were discussed in molecular terms supported this inclusion complexation and encapsulation interaction process. The result shows that the stability of the resulting complexes of ß-cyclodextrin:[EMPyrr]+ and 18-crown-6:[EMPyrr]+ is based on the geometrical and spectrometric data. Host guest chemistry of the five-membered nitrogen containing cation with two different macro cyclic hosts is supported by studying NMR. HRMS has been used to support the complexation process with the proper stoichiometry ratio. The solid complex formations were established by Fourier transform infrared study.

Is the Metallic Phosphorus Carbide (ß0-PC) Monolayer Stable? An Answer from a Theoretical Perspective.

Phosphorus carbide (PC) has been the subject of major research efforts in recent years. In this regard, very recently, a stoichiometric metallic phosphorus carbide (ß0-PC) monolayer has been proposed as locally stable with one lone nonbonding electron in each C atom. Therefore, the ambiguity of coexistence of a nonbonding electron with metallic properties for ß0-PC is reported and hence deserves further explanation. Herein, using first-principles calculations, we have explored the stability and electronic properties of ß0-PC to resolve this ambiguity. The metallic behavior of ß0-PC is explained on the basis of electron delocalization involving P and C atoms along a zigzag chain of ß0-PC. We have also explored the possibility of getting a ß0-PC monolayer via homogeneous doping of C (P) into phosphorene (graphene) and layer exfoliation of 3D bulk PC with ß-InS-like structure, which has been experimentally synthesized.

The electronic and optical properties of MoS(2(1-x))Se(2x) and MoS(2(1-x))Te(2x) monolayers.

In a very recent article, atomically thin two-dimensional MoS2xSe2(1-x) nanosheets have been synthesized with complete composition tunability using a temperature gradient assisted chemical vapor deposition technique [J. Am. Chem. Soc., 2014, 136, 3756]. To have a better understanding of the composition dependent tunability of the properties of this class of materials we here perform first principles calculations on the detailed electronic structure of single layered transition metal dichalcogenides MoS2(1-x)Se2x and MoS2(1-x)Te2x. The positive value of mixing energy of both MoS2(1-x)Se2x and MoS2(1-x)Te2x 2D sheets at various composition confirms their formation at some energy cost. The analysis of the composition dependent band structure and the density of states of these 2D sheets reveals certain interesting features. The band gap variation of the MoS2(1-x)Se2x nanosheets is almost linear with composition while that of MoS2(1-x)Te2x deviates slightly from linearity. We have also calculated the optical absorption spectrum of these nanosheets as a function of composition and found that the optical transitions are mainly metal d-d type spin forbidden transitions.