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Abstract Salinity gradient energy (SGE), known as blue energy is harvested from mixing seawater with river water in a controlled way using ion exchange membranes (IEMs). Using 2D materials as IEMs improves the output power density from a few Wm−2 to a few thousands of Wm−2 over conventional membranes. In this review, we survey the efforts taken to employ the different 2D materials as nanoporous or lamellar membranes for SGE and provide a comprehensive analysis of the fundamental principles behind the SGE. Overall, this review is anticipated to explain how the 2D materials can make SGE a viable source of energy.

In this present study, pure Co3O4 and Cu-substituted Co3O4 nanoparticles (NPs) were prepared by a simple co-precipitation method and their structural, morphological, optical, and electrochemical properties were assessed. X-ray diffraction (XRD) analysis indicated that the synthesized samples had a cubic structure with the formation of a secondary phase (CuO) was detected at a higher Cu concentration. The average crystallite was decreased with increasing Cu content. Fourier transform infra-red (FT-IR) analysis revealed that the presence of vibrational bands in Cu-substituted Co3O4 NPs. The morphological study of the pure Co3O4 and Cu-substituted Co3O4 NPs revealed that the hexagonal structure with porous morphology confirmed by Field emission scanning electron microscopy (FESEM). High resolution transmission electron microscope (HR-TEM) analysis with spotty diffraction rings showed that pure Co3O4 and Cu-substituted Co3O4 NPs were polycrystalline in nature. The optical properties of synthesized samples exhibited strong absorption edges, and bandgap values were found to be increased from 3.60 to 3.75 eV. Cyclic voltammetry (CV) was employed to investigate the electrochemical properties of the synthesized materials. The CV curves exhibited pseudocapacitive behavior, and 2 % Cu substituted Co3O4 electrode had a high higher specific capacitance value than pure Co3O4 electrode.

(E)–5-([4-(2–carboxyethylcarbamoyl) phenyl] diazenyl)-2-hydroxybenzoic acid (Balsalazide) was scrutinized theoretically using quantum computational calculation. FT-IR, UV–vis., and optimized structure data were collected utilizing the DFT approach with the B3LYP functional and 6-311++G(d,p) basis set. The wave number computations and improved molecular geometry were carried out in the gas phase. Utilizing VEDA analysis, the potential energy distribution analysis PED of the title chemical was carried out. Additionally, experiments on chemical reactivity and molecular electrostatic potential (MEP) were carried out. Researchers employed the electron localization function (ELF) to demonstrate electron delocalization in the molecule. Topological and Mulliken charge distribution investigations were other subjects. Intermolecular charge transfer was interpreted using natural bond orbital analysis (NBO). RDG analysis used electron concentration as a basis. To clarify how the electronics-based transmissions in the UV–vis spectral range of several solvents (Gas, Water, DMSO, Ethanol, and Acetone) were determined, DFT analysis was also employed. Maximum wavelength (λ) absorbance and band-gap energy estimates for Balsalazide were calculated for different solvents. The electrophilicity index is used to theoretically explain bioactivity, while molecular docking is used to show how a ligand interacts with a protein. Through molecular docking, the Transcription classified proteins of 2Q1V and 4ME0 are examined. The drug-likeness of the molecule revealed its nature.

The current theoretical work interprets the optimized structure of 1-[(4-Chlorophenyl) methyl]-1H-indole-3-carboxaldehyde [4CMI3C] by vibrational assignments that were theoretically assessed using the B3LYP 6–311 ++ G(d,P) level basis set. The structure was optimized with Gaussian 09 and the binding parameters were investigated. FT-IR and FT-RAMAN theoretical spectra of 4 CMIC3 were depicted and their spectroscopic calculations were verified. The three-dimensional charge circulation areas of the molecule, together with its electrophilic and nucleophilic sites, are all determined by molecular electrostatic potential (MEP). Frontier molecular orbitals are required for the molecule's stability and chemical reactivity. Natural bonding orbitals (NBO) are used to join up the fragments' bonds. The electronic dipole moment (μD) and the first hyperpolarizability (βtot) values of the investigated molecule were computed using Density Functional Theory and the results shows that the title molecule exhibits a non-linear property. The weak interaction and complex bonding zones have been studied using wave function analysis. The absorption spectra were computationally analyzed using UV–Vis spectra with various solvents utilizing TD-DFT method. The Lipinski rule of five stated that the title chemical explores a pharmacological profile. To execute protein-ligand binding with certain proteins that have already undergone processing in tumour cells, the AUTODOCK program is used. Additionally, title compound bioactive score and molecular docking properties are correlated with the FDA approved anti-tumor drug.

Several factors, including environment, behaviours, and heredity, influence the development of hypertension. The title compound dopamine D1 receptor agonist named (4S)-4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-7,8-diol (4S4D4T) is one of the most important neurotransmitters associated with numerous neural disorders. Using DFT and quantum chemical simulations, the vibrational, electrical, and structural possessions of the heading compound were predicted. To carry out the quantum computational investigations, a highly compatible method entitled B3LYP basis set was adopted. Vibrational Modes of functional groups with PED values were calculated using VEDA software to compute geometric dimensions and assign fundamental vibrations. Using gas and solvent phases, MEP differentiates between nucleophilic and electrophilic sites and creates distribution for the charge of the molecules. The observed wavelength with (TDSCF) UV–Vis spectra for the various solvents phases were compared. The NBO approach provides an understanding of the electron delocalization that results from hyperconjugation. FUKUI analysis is used to determine the area of site reaction. Electron density's topological analysis was carried out using the QTAIM theory. The ADME (Absorption, Distribution, Metabolism, Excretion) profiles are produced with the Swiss ADME online tool. In summary, this dissertation offers a thorough examination that evaluates the impact of particular pharmaceuticals on solvation and enzyme efficiency using a combination of spectral and quantitative computing methodologies. Therefore, plans for further research can profit immensely by the information gathered. The results of protein-ligand docking using the Auto Dock method with various proteins suggest that the molecule has pharmaceutical properties against receptors.

Optimum geometries and vibration spectra of 8-hydroxyquinolium 3-nitrobenzoate (8HQ3NB) were predicted by DFT computations at B3LYP using 6–311++G(d, p) basis functions. To decipher IR spectra mathematically and qualitatively, vibrational spectra were evaluated by considering PED across individual vibrating modes into account. In gas phase, FT-IR and UV–Visible spectrum investigations of 8HQ3NB have been carried out using combined theoretical and experimental calculations. RDG, ELF, and LOL visualizations proposing topological characteristics of 8HQ3NB were also portrayed. In light of Hyperpolarizability values, NLO functionality was investigated and it was discovered that 8-hydroxyquinolium 3-nitrobenzoate could serve to be suitable NLO element. Reactive spots of the molecule have been established by simulating the MEP surface. Natural bond orbital study was also done to further investigate intramolecular interactions, confirming the 8HQ3NB's biological activity. In addition, the Fukui and chemical descriptor characteristics have been investigated to better understand the molecular structure activity concept. Antifungal and antimicrobial nature of 8HQ3NB compound has been validated by molecular docking analysis. ADMET characteristics and drug likeness variables have been computed to portray the biological possessions of the compound.

The present research is a theoretical examination of 6-methoxyisoquinoline implementing Density Functional Theory quantum mechanical approach. Structural optimization was performed to achieve a stable molecular structure with the least amount of energy. Several protic and aprotic solvent interactions were performed using the IEF polarization continuum model to examine the reactivity and stability of the molecules. Molecular interactions with solvents were investigated using UV–Visible, HOMO-LUMO, MEP, NBO, and NLO properties, which shows some changes in the compound activity at solvent phases against gas phase. The molecular interaction of π*C1–N2 to π*C5 - C10 shows the higher stabilizing energy. DMSO solvent exhibits a very low band gap energy, favors the molecule's high stability. Molecular reactivity, interactions, and optical behavior were all readily apparent. The chemical reactivity of the compound was found good in water. The percentage of PED contributions was evaluated for each mode of vibrations using vibrational spectral investigation. Topological surface analysis was used for better understanding of molecular electron density, reactive center, and steric effect. ELF, LOL, and RDG was generated for compounds with different solvents. The distance of transition and the overlapping of electron and hole were calculated using electron hole analysis. Pharmacological assessments include drug likeness, ADME, toxicity, and a pre-ADMET online tool, which supports the biological capability of the compound. Finally, molecular docking with anti-tubercular protein was performed, and a Ramachandran plot of chosen protein was shown to explore stability.

The present study used the Density Functional Theory /B3LYP approach utilizing the different basis sets to perform vibrational studies on 3-methyl-2-phenylmorpholine (3M2P). Thorough essential vibration assignments were carried out according to the potential energy distribution of the vibration mode, and geometric characteristics and wave numbers were obtained. Natural Bond Orbital modeling was used for examine hyper conjugative inter-actions that lead to molecule stability and charge delocalization. The charge transport in the molecule is visible in the Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital energetic estimate. The compound's hyper polarizability, Fukui, Electron Localization Function, and Localized Orbital Locator functions as well as its Molecular Electrostatic Potential were determined. The measured wavelengths and the theoretical Ultra Violet-Vis spectra (TD-SCF) for the solvent phases were compared. Studies using Reduced Density Gradient, ADME, and molecular docking have also been carried out. RDG, ADME and Molecular docking studies were also achieved for distinctive receptors.

The Cis-2,6-Dimethylpiperazin has undergone wave function analysis to determine the topological characteristics. The vibrational and ultraviolet-visible spectroscopy investigations were carried out. By advocating Density Functional Theory as a technique, the optimized structure is computed. Polarizability, nucleophilicity, and electrophilicity have also been estimated using Non-Linear Optics, Fukui, and Molecular Electro Static Potential. Additionally, the Highest occupied molecular orbital to Lowest unoccupied molecular orbital studies were carried out to know biological activity. It has been hypothesized that drug-like properties can explain a biological reaction. We predicted and examined the various thermodynamic properties. In addition to previous studies, the docking process was employed to calculate the energies of binding and size of bonding hydrogen with various proteins. This work describes molecular, electrical, chemical, and biological actions.

The published molecule (S)-3-Benzyl-5-(phenylselanyl)-6-(p-tolyl)-3,4-dihydropyran-2-one (3B6PL) was selected for the identification of anticancer properties, and the computational calculations were employed using density function theory (DFT) with the B3LYP/6–311++G (d,p) basis set to validate the proposed molecular structure features by the theoretical computational calculations. Herein, the FT-IR, UV-800, 1H NMR, and 13C NMR analytical techniques were used for the characterization of the selected molecule. In FT-IR, the characteristic frequencies of the molecule were compared using an appropriate scaling factor (0.961) for the potential energy distribution (PED) and simulated spectra of 3B6PL. Moreover, UV-800 and NMR spectral data were validated using the NBO that was demonstrated to the charge transfer in the molecules and exhibits a prominent second-order perturbation energy, E(2) value is 309.85 kcal/mol. HOMO-LUMO, Molecular electrostatic potential (MEP) both find molecule's electrical properties, as well as its softness, hardness, and overall stability. To understand the reactive locations of the molecule, fukui functions have been employed. Moreover, the exceptional NLO (non-linear optical) characteristics of the molecule were demonstrated, and intermolecular interactions were evaluated using a Hirshfeld surface as well. On the contrary, the druglikeness of the molecule was evaluated under Lipinski's rule of five and ADME/T studies. In-silico analysis and molecular docking were also demonstrated for the anticancer potential of the proposed molecule against the kinase insert domain receptors of VEGFR and showed binding affinities of -6.3 kcal/mol for the VEGFR-ligand complex as a preliminary investigation. Therefore, this compound could be used for in-vitro and in-vivo analyses to find out its cytotoxicity and could also be derivatized to enhance its potent anticancer properties.

N-[2-(7-methoxynaphthalen-1-yl) ethyl] acetamide (AGL), a potentially antidepressant chemical molecule, was examined through quantum computational investigations and assessed using theoretical DFT analysis. The different functional groups are identified using FT-IR analysis and these results are contrasted against the simulated spectra. The modes of oscillations were analysed theoretically. The HOMO-LUMO band gap energy was determined for both gaseous and solvent phases (water, methanol, ethanol, and DMSO). Molecular Electrostatic Potential predictions are done to analyse the electrophilic and nucleophilic centres. UV–Vis spectra is performed for the title compound in various solvent. Fukui function, Mulliken charges, ELF, LOL, and RDG were also analysed theoretically. Additionally, molecular docking studies also explored, hydrogen bond length and binding energy were determined. The bioactivity of the compound is recognised by these present studies.

Full Potential Linearized Augmented Plane Wave method (FP-LAPW) was employed to investigate the behavior of cubic perovskite CsBeO3 under the influence of pressure. The spin polarized study has been carried out in PBE-GGA approximation under the application of pressure. The variation of pressure is attained by the appropriate reduction of volume for the compound. At equilibrium volume and at 0 GPa, the compound CsBeO3 is found to exhibit energy gap in the spin up direction and the spin down direction is largely conducting. With the reduction of volume and their corresponding increase in pressure, the electronic behavior changes for the compound. At a pressure of about 10 GPa, the s-orbital of Cs atom undergoes energy excitation to higher energy level due to an ordered dispersive effect at s-orbital. This results in the disappearance of energy gap and the compound becomes conducting in spin up direction and the half metallic ferromagnetism is found to disappear at increased pressure. Thermal properties such as Debye temperature and Curie point have been reported in this work. Elastic constants and anisotropy factor have been determined and compared at different pressures.

Quantum chemical, spectroscopic and bioactivity studies of pharmacologically active Ethyl 4‑hydroxy 3‑methoxy ethyl cinnamate (EHMC) were investigated. By optimizing the geometric structural parameters, it was theoretically possible to obtain the FTIR &UV–Vis absorbance of the EHMC in both protic and aprotic solvents. PED values were computed, and vibrational assignments were identified. The TD-DFT approach and the IEFPCM model were used for simulating the UV spectra of the EHMC chemical. This study presents a comprehensive analysis of molecular parameters, including topological features of electron density, Reduced density gradient (RDG), NBO hyperconjugative interaction energies, frontier molecular energies (FMO) energies, and chemical reactivity descriptors across various solvents. MEP distinguishes between nucleophilic & electrophilic locations and determines a molecule's 3D charge distribution. Electrophilic and nucleophilic strength inside a molecule explained by Fukui function and Mullikan's charge. Furthermore, drug likeness and ADMET analysis were conducted to ascertain the biological characteristics and molecular docking investigation was also performed to explore the biological function of the title substance.

Antibiotic resistance is a major crisis that the modern world is confronting. This review highlights the abundance of different types of antibiotic resistance genes (ARGs) in two major reservoirs in the environment, namely hospital and municipal wastewater, which is an unforeseen threat to human lives across the globe. The review helps understand the current state of affairs and the whereabouts on the dissemination of ARGs in both these environments. The various traditional wastewater treatment methods, such as chlorination and UV treatment, and modern methods, such as electrochemical oxidation, are discussed, and the gaps in these technologies are highlighted. The need for the development of newer techniques for wastewater treatment with enhanced efficiency is urgently underscored. Nanomaterial applications for ARG removal were observed to be less explored. This has been discussed, and prospective nanomaterials and nanocomposites for these applications are proposed.

DFT-based quantum mechanical calculations, electron behaviour, biological properties of the Anagrelide with an IUPAC name of (6,7-dichloro-3,5-dihydro-1H-Imidazo[2,1,-b]quinazolin-2-one) is probed using Gaussian 09 W and Gauss View 6 programs, with B3LYP / 6–311++ G (d, p) basis set. The optimized geometrical properties and structure were tabulated and modelled. A systematic approach has been adopted for FTIR and Raman spectroscopic studies and its vibrational PED% assignments, with the help of VEDA software, were employed. NLO properties and its calculations in gas phase, and four sets of green solvents were calculated. Simulated UV spectroscopy analysis was explored using the TD-DFT with the IEFPCM model, and spectrum was made using the help of Gauss-sum. Since there is a correlation between the energy of the FMOs and their optical properties, those orbitals were mapped, and ΔEHomo-Lumo (ΔE) values were evaluated. NBO analysis has been employed to examine the stability, resulting from its intra-molecular and intermolecular hyper conjugative interactions owing to charge delocalization. Mulliken's charges distribution of the title molecule was computed to look at their electrophilic and nucleophilic activities. Analyses of the MESP were carried out for various solvents. Anagrelide was theoretically subjected to an explicit topological surface analysis using the wavefunction analyzer and multiwfn software to look at the compound's reactivity and wave functional properties LOL, and ELF. In order to study the biological activity as an anticoagulant, a platelet aggregation inhibitor, and a vasodilator, Anagrelide was utilized as a ligand with several target proteins in molecular docking and Drug-likeliness. The outcomes of molecular docking experiments proved the ligand's potency as an antifibrinolytic medication.

E-waste seems to be the major concern in present day technological world. It is the high time to treat the e-waste and to prevent various adverse effects from e-waste pollution. Heavy metals present in the e-waste raises the concern to be worried. Various research and studies have been focused and developed on e-waste recycling. Apart from this, heavy metal and valuable metal recovery from various e-waste seems to be economical. For the metal leaching process various leaching methods are involved. In this review, effects of e-waste, its composition and various methods available for treating e-waste and heavy metal leaching like chemical leaching and bioleaching and factors affecting the leaching mechanism have been reviewed.

ESC (Escitalopram) and ETZ (Etizolam) are essential anti-anxiety medications. This research suggests employing a Green Analytical Quality by Design (AQbD) based HPLC technique to determine ESC and ETZ are environmentally friendly. According to literature, there is currently no published article by this method. Using Phenomenex column C18 containing ethanol and phosphate buffer (60:40 percent v/v) and the flow rate is fixed to be 1 mL/ min, and the detection was carried out at 254 nm the proposed approach can separate ESC and ETZ and their degradation products. Retention times of ESC and ETZ were found to be 3.5 and 6.5 min respectively. This approach was verified and demonstrated linearity ranges from 5–30 μg/mL for ESC, 2–12 μg/mL for ETZ, accuracy, repeatability, and selectivity, with R2 values were 0.9975 and 0.9987 for ESC and ETZ, respectively. The novel method was also evaluated using four different approaches,including other assessment methods: NEMI, GAPI, AGMS, AGREE and it was found to been environment friendly. Based on our results, HPLC techniques with the Green Analytical Performances by the QbD technique for evaluating stability of the drug might be benefit in the development of novel pharmaceutical drugs such as ESC and ETZ.

ABSTRACTGreen analytical procedures replace harmful organic modifiers with green solvents without affecting chromatographic performance, enabling industries and research laboratories to develop green analytical methods. Benidipine hydrochloride (BEN) and Chlorthalidone (CHD) were used to treat hypertension. The literature indicates that no method for determining BEN and CHD combines RP-HPLC with green Analytical Quality by Design (AQbD) for long-term use. This study aimed to develop a green RP-HPLC for determining BEN and CHD by incorporating analytical quality by design with green chemistry principles. A central composite design was used for optimization, with 40% ethanol content and flow rate chosen as critical variables. Separation was achieved using Agilent Eclipse Plus (C18, 250 mm × 4.6 mm i.d, 5 μm) with a mobile phase of ethanol and potassium dihydrogen orthophosphate (orthophosphoric acid to 3.5) in a ratio of 40:60 v/v at 1 ml/min, detection wavelength at 230 nm. Retention times for CHD and BEN were 3.1 and 5.1 min, respectively. The concentration ranges for BEN and CHD were 3.2–4.8 μg/ml and 5.0–7.5 μg/ml, respectively. The proposed method was eco-friendly and assessed using green evaluation tools. Thus, AQBD and green technologies provide regular BEN and CHD analysis in pharmaceutical formulations without environmental impact.

Traditional watermarking methods can remove a watermark from an image, making it possible to see the copyright information about the image owner or to estimate similarities using techniques such as bit error rate and normalized correlation. Deep learning is another examination field in AI, and is utilized to develop a deep network to extract objective elements and afterwards distinguish the general environment. To assure the robustness and security of computerized image watermarking, we propose a novel algorithm using convolutional generative adversarial neural networks. This research proposed a novel technique in digital watermarking, with data hiding based on segmentation and classification, using deep learning techniques. The used input images are medical images, including Magnetic Resonance Images (MRI) and Computed Tomography (CT) images, which have been processed for noise removal, smoothening and normalization. The processed image has been watermarked using the Singular Value Decomposition-based discrete wavelet transform quantization model, being segmented and classified using convolutional generative adversarial neural networks. The experimental analysis has been carried out in terms of bit error rate, Structural Similarity Index Measure (SSIM), Normalized Cross-Correlation (NCC), training accuracy, and validation accuracy. This achieved an attained bit error rate of 71%, an SSIM of 56%, a Normalized Cross-Correlation of 71%, a training accuracy of 98%, and a validation accuracy of 95%.

Rational designing of electrode materials is of great interest for improving the performance of battery-type supercapacitors. The bimetallic NiCo2S4 (NCS) and CoNi2S4 (CNS) electrode materials have received much attention for supercapacitors due to their rich electrochemical characteristics. However, the comparative electrochemical performances of NCS and CNS electrodes were never studied for supercapacitor application. In this work, microsphere-like bimetallic NCS and CNS structures were synthesized via a facile one-step hydrothermal method by controlling the molar ratio of Ni and Co precursors. The physico-chemical results confirmed that microsphere-like structures with cubic spinel-type NCS and CNS materials were successfully fabricated by this method. When tested as the supercapacitor electrode materials, both NCS and CNS electrodes exhibited battery-type behavior in a three-electrode configuration with outstanding electrochemical performances such as specific capacity, rate performance and cycle stability. Impressively, the CNS electrode delivered a high specific capacity of 430.1 C g−1 at 1 A g−1, which is higher than 345.9 C g−1 of the NCS electrode. Furthermore, the NCS and CNS electrodes showed a decent cycling stability with 75.70 and 84.70% capacity retention after 10,000 cycles. Benefiting from the electrochemical advantage of CNS microspheres, we fabricated a hybrid supercapacitor (HSC) device based on CNS microspheres (positive electrode) and activated carbon (AC, negative electrode), which is named as CNS//AC. The assembled CNS//AC HSC device showed a large energy density of 41.98 Wh kg−1 at a power density of 800.04 W kg−1 and displayed a remarkable cycling stability with a capacity retention of 91.79% after 15,000 cycles. These excellent electrochemical performances demonstrate that both bimetallic NCS and CNS microspheres may provide potential electrode materials for high performance battery-type supercapacitors.

We report Ag nanoparticles infused with mesosphere TiO2/reduced graphene oxide (rGO) nanosheet (TiO2/rGO/Ag) hybrid nanostructures have been successfully fabricated using a series of solution process synthesis routes and an in-situ growth method. The prepared hybrid nanostructure is utilized for the fabrication of photovoltaic cells and the photocatalytic degradation of pollutants. The photovoltaic characteristics of a dye-sensitized solar cell (DSSC) device with plasmonic hybrid nanostructure (TiO2/rGO/Ag) photoanode achieved a highest short-circuit current density (JSC) of 16.05 mA/cm2, an open circuit voltage (VOC) of 0.74 V and a fill factor (FF) of 62.5%. The fabricated plasmonic DSSC device exhibited a maximum power conversion efficiency (PCE) of 7.27%, which is almost 1.7 times higher than the TiO2-based DSSC (4.10%). For the photocatalytic degradation of pollutants, the prepared TiO2/rGO/Ag photocatalyst exhibited superior photodegradation of methylene blue (MB) dye molecules at around 93% and the mineralization of total organic compounds (TOC) by 80% in aqueous solution after 160 min under continuous irradiation with natural sunlight. Moreover, the enhanced performance of the DSSC device and the MB dye degradation exhibited by the hybrid nanostructures are more associated with their high surface area. Therefore, the proposed plasmonic hybrid nanostructure system is a further development for photovoltaics and environmental remediation applications.

Co-Ni ferrite is one of the crucial materials for the electronic industry. A partial substitution with a rare-earth metal brings about modification in crystal lattice and broadens knowledge in the discovery of new magnetic material. Current work reports a Ga3+ substitution in the Co-Ni ferrite with composition Co0.5Ni0.5Fe2−xGaxO4 (where x = 0.0, 0.2, 0.4, 0.6, 0.8, and 1.0), herein referred to as spinel ferrite microspheres (CoNiGa-SFMCs). The samples were crystallized hydrothermally showing a hollow sphere morphology. The crystal phase, magnetic, morphology, and optical behaviour were examined using various microscopy and spectroscopic tools. While the XRD confirmed the phase of SFMCs, the crystallite size varied between 9 and 12 nm. The Tauc plot obtained from DRS (diffuse reflectance spectroscopy) shows the direct optical energy bandgap (Eg) of the products, with the pristine reading having the value of 1.41 eV Eg; the band gap increased almost linearly up to 1.62 eV along with rising the Ga3+ amount. The magnetic features, on the other hand, indicated the decrease in coercivity (Hc) as more Ga3+ is introduced. Moreover, there was a gradual increase in both saturation magnetization (Ms) and magnetic moment (nB) with increasing amount of Ga3+ till x = 0.6 and then a progressive decline with increases in the x content; this was ascribed to the spin-glass-like behavior at low temperatures. It was detected that magnetic properties correlate well with crystallite/particle size, cation distribution, and anisotropy.

In an era where humanity is reinstating its lost hope and expectation on natural products, green tea occupies quite a position for what it has proven to be, in its endeavors for human welfare and health. Epigallocatechin-3-gallate (EGCG) is the key to the vast biological activities of green tea. Green tea is no longer in the backdrop; it has emerged as the most viral, trending bioactive molecule when it comes to health benefits for human beings. This review focuses on the use of various analytical techniques for the analysis of EGCG. That which has been achieved so far, in terms of in vitro, pure component analysis, as well as those spikes in biological fluids and those in vivo in animal and human samples, was surveyed and presented. The use of MS-based techniques for the analysis of EGCG is elaborately reviewed and the need for improvising the applications is explained. The review emphasizes that there is plenty of room to explore matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) applications in this subject area.

The chemical content of plant excerpts can be efficiently employed to reduce the metal ions to nanoparticles in the one-pot green production method. Here, green production of silver nanoparticles (AC-AgNPs) is performed by means of Allium cepa var. Aggregatum (shallot) extract as a stabilizer and reducer. The shape, size, and morphology of resultant AC-AgNPs are examined by optical spectroscopy analysis such as UV for nucleation and coalescence processes of the AC-AgNPs. Through FTIR functional group is determined and through DLS size is defined, it was confirmed that metallic AgNPs were successfully synthesized through the green synthesis route, and these results agreed well with the results obtained in the XRD pattern along with TEM spectroscopy, where the TEM images confirm the formation of sphere-like nanostructures along with SAED analysis. The chemical characterization is performed with XPS; the obtained molecular species in the materials are determined from the energy profile. Antioxidant activity of AC-AgNPs versus DPPH substrate is carried out. Antibacterial activity is well established against Gram-negative and Gram-positive organisms. Cell viability is accomplished, followed by an MTT assay, and a cytotoxicity assay of AC-AgNPs on MCF—7 cell lines is also carried out. Highlights: (1). This study highlights the eco-friendly synthesis of silver nanoparticles from Allium cepa var. Aggregatum Natural Extract. (2). The synthesized AC-AgNPs were characterized by UV-VIS, FT-IR, XRD, TEM, and XPS. (3). The synthesized nanoparticles were well dispersed in nature and the size range of 35 ± 8 nm. (4). The anti-candidal activity of biosynthesized silver nanoparticles was evaluated against the following Gram-Negative organisms: Escherichia coli (E. coli), and the following Gram-positive organisms: Staphylococcus aureus strains. The biosynthesized AC-AgNPs showed enhanced antiseptic features anti both Gram-positive and negative organisms. (5). Besides, the in vitro cytotoxic outcomes of AC-AgNPs were assessed versus MCF-7 cancerous cells, and the reduction in the feasibility of cancer cells was established via MTT assay, which suggests potential biomedical applications.

Chitosan is a rather attractive material, especially because of its bio-origins as well as generation from exoskeletal waste. As the mantle has been effectively transferred from chitin to chitosan, so has it been extrapolated to in-house synthesized novel chitosan derivatives. This review comprehensively lists the available novel chitosan derivatives (ChDs) and summarizes their biological applications. The fact that chitosan derivatives do comprise multifaceted biological applications is attested by the voluminous reports on their varied contributions. However, this review points out to the fact that there has been selective focus on bio functions such as antifungal, antioxidant, antibacterial, whereas other biomedical applications and antiviral applications remain relatively less explored. With their current functionality record, there is definitely no doubt that the plethora of synthesized ChDs will have a profound impact on the unexplored biological aspects. This review points out this lacuna as room for future exploration.

Matcha tea is a traditional Japanese tea that is said to possess ten times higher bioactive components and polyphenols than that of conventional green teas. Matcha is remotely popular among the global community and meagerly researched and infamous among the scientific population. It is the powdered form of green tea leaves that are directly suspended in hot water and drunk without filtration. Matcha is said to be one of the richest antioxidant sources naturally available. This review summarizes the available research publications related to matcha and compares the research accomplishments of green tea and matcha researchers. The fact that green tea is backed up by 35,000 publications while matcha has merely 54 publications to its credit is highlighted in this review for the first time. The future of matcha for tapping its enormous antioxidant activity and health potentials remains connected to the volume of scientific awareness and enhanced research attention in this area. If green tea has so much to offer towards human health and welfare, there is certainly room for more benefits from matcha, which is yet to be disclosed. As public awareness cannot be won without scientific approval, this review seeks that this gap may be bridged using essential knowledge gained from matcha applications and allied research.

Penicillin G is an old and widely used antibiotic. Its persistence in the environment started to appear in many environmental samples and food chains. The removal of these emerging pollutants has been a challenging task for scientists in the last decades. The photocatalytic properties of Cd2+ doped Manganese- Zinc NSFs with chemical formula (Mn0.5Zn0.5)[CdxFe2−x]O4 (0.0 ≤ x ≤ 0.05) NSFs are herein evaluated. The Manganese- Zinc N.S.F.s nanomaterials were deeply characterized, utilizing UV-Vis (reflectance) spectroscopy, X-ray diffraction, N2 adsorption isotherm measurements, and S.E.M., SEM-EDX mapping, and T.E.M. The Kinetic model for the photodegradation of penicillin G (as a model molecule) is investigated using visible light as a source of energy. The kinetic study shows that our results fit well with the modified pseudo-first-order model. The Pen G degradation are 88.73%, 66.65%, 44.70%, 37.62% and 24.68% for x = 0.5, 0.4, 0.3, 0.2 and 0.1, respectively, against 14.68% for the free Cd spinel sample. The pseudo-rate constant is bandgap dependent. From the intra-diffusion rate constant (Kd), we developed an intra-diffusion time (τ) model, which decreases exponentially as a function of (x) and mainly shows the existence of three different domains versus cadmium coordination in spinel ferrite samples. Hence, Cadmium’s presence generates spontaneous polarization with a strong opportunity to monitor the charge separation and then open the route to a new generation of “assisted” photocatalysts under visible light.

There is enormous interest in combining two or more nanoparticles for various biomedical applications, especially in anti-cancer agent delivery. In this study, the microsphere nanoparticles were prepared (MSNPs) and their impact on cancer cells was examined. The MSNPs were prepared by using the hydrothermal method where strontium (Sr), barium (Ba), dysprosium (Dy), samarium (Sm), and iron oxide (Fe8−2xO19) were combined, and dysprosium (Dy) and samarium (Sm) was substituted with strontium (Sr) and barium (Ba), preparing Sr0.5Ba0.5DyxSmxFe8−2xO19 (0.00 ≤ x ≤ 1.0) MSNPs. The microspheres were characterized by X-ray powder diffraction (XRD), high-resolution transmission electron microscopy (HR-TEM), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX) techniques. The diffraction pattern of nanohexaferrites (NHFs) reflected the signature peaks of the hexagonal structure. The XRD revealed a pure hexagonal structure without any undesired phase, which indicated the homogeneity of the products. The crystal size of the nanoparticles were in the range of 22 to 36 nm by Scherrer’s equation. The SEM of MSNPs showed a semi-spherical shape with a high degree of aggregation. TEM and HR-TEM images of MSNPs verified the spherical shape morphology and structure that approved an M-type hexaferrite formation. The anti-cancer activity was examined on HCT-116 (human colorectal carcinoma) and HeLa (cervical cancer cells) using MTT (3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay and post-48 h treatment of MSNPs caused a dose-dependent inhibition of HCT-116 and HeLa cell proliferation and growth. Conversely, no significant cytotoxic effect was observed on HEK-293 cells. The treatments of MSNPs also induced cancer cells DNA disintegration, as revealed by 4′,6-diamidino-2-phenylindole (DAPI) staining. Finally, these findings suggest that synthesized MSNPs possess potential inhibitory actions on cancerous cells without harming normal cells.

Chitin (poly-N-acetyl-D-glucosamine) is the second (after cellulose) most abundant organic polymer. In its deacetylated form—chitosan—becomes a very interesting material for medical use. The chitosan nano-structures whose preparation is described in this article shows unique biomedical value. The preparation of nanochitosan, as well as the most vital biomedical applications (antitumor, drug delivery and other medical uses), have been discussed in this review. The challenges confronting the progress of nanochitosan from benchtop to bedside clinical settings have been evaluated. The need for inclusion of nano aspects into chitosan research, with improvisation from nanotechnological inputs has been prescribed for breaking down the limitations. Future perspectives of nanochitosan and the challenges facing nanochitosan applications and the areas needing research focus have been highlighted.

Glycobiology is gaining paramount importance for its influence on diseases as a consequence of a fundamental understanding of the underlying processes involved in them. Cancer is still posing threats to human health and welfare and therapies are perpetually being sought. Glycans are selectively attached to proteins and lipids during glycosylation, and these hold anchorage positions in many important biological processes involved in cancer through their altered expression or activity upon malignant transformation. Aberrant glycosylation is well established as a hallmark of cancer, linked to tumor development and metastasis. The analytical inputs and milestones achieved and the characterization and detection of glycosylation in cancer have been summarized in this review. The milestones achieved in cancer research through inputs from glycosylation have been highlighted. With almost 70% of biopharmaceuticals being glycoproteins and almost 80% of cancer biomarkers being glycan in origin, glycosylation has a lot of say in cancer prognosis and diagnosis. The future of glycosylation in cancer and the lacunae in the smooth channelization of state-of-the-art technologies for taking this research knowledge from bench top to bedside (actual clinical settings) is speculated upon. The incorporation of cross-disciplinary integrated approaches and nano-instrumentation sophistications are proposed for achieving scaling up.

Tm-Tb co-substituted Co-Ni nanospinel ferrites (NSFs) as (Co0.5Ni0.5) [TmxTbxFe2−2x]O4 (x = 0.00–0.05) NSFs were attained via the ultrasound irradiation technique. The phase identification and morphologies of the NSFs were explored using X-rays diffraction (XRD), selected area electron diffraction (SAED), and transmission and scanning electronic microscopes (TEM and SEM). The magnetization measurements against the applied magnetic field (M-H) were made at 300 and 10 K with a vibrating sample magnetometer (VSM). The various prepared nanoparticles revealed a ferrimagnetic character at both 300 and 10 K. The saturation magnetization (Ms), the remanence (Mr), and magneton number (nB) were found to decrease upon the Tb-Tm substitution effect. On the other hand, the coercivity (Hc) was found to diminish with increasing x up to 0.03 and then begins to increase with further rising Tb-Tm content. The Hc values are in the range of 346.7–441.7 Oe at 300 K to 4044.4–5378.7 Oe at 10 K. The variations in magnetic parameters were described based on redistribution of cations, crystallites and/or grains size, canting effects, surface spins effects, super-exchange interaction strength, etc. The observed magnetic results indicated that the synthesized (Co0.5Ni0.5)[TmxTbxFe2−x]O4 NSFs could be considered as promising candidates to be used for room temperature magnetic applications and magnetic recording media.

This paper reports the correlation between the composition of the functional Sr0.5Ba0.5Sm0.02Fe11.98O19/x(Ni0.8Zn0.2Fe2O4) hard–soft nanocomposites (SrBaSmFe/x(NiZnFe) NCs), where 0.0 ≤ x ≤ 3.0, and their structural features, magnetic, and microwave properties. SrBaSmFe/x(NiZnFe) hard/soft ferrite NCs are produced using the one-pot citrate combustion method. According to the XRD analysis, all samples showed the co-existence of both SrBaSmFe and NiZnFe phases in different ratios. Magnetic properties are measured in a wide range of magnetic fields and temperatures (10 and 300 K) and correlated well with the composition of the investigated samples. The microwave properties (frequency dispersions of the magnetic permeability, and electrical permittivity) are discussed by using the co-axial method in the frequency range of 0.7–18 GHz. Non-linear dependences of the main microwave features were observed with varying of composition. The microwave behavior correlated well with the composite theory. These results could be used in practice for developing antenna materials.