UV Vis Absorption Spectra Research Articles

Structural, morphological, optical, and magnetic properties of NiO-added NiCo2O4 electrode materials synthesized by sol-gel, Co-precipitation and ultrasonication methods and their electrochemical supercapacitor response

In this study, NiO-added NiCo2O4 composite samples were prepared using three distinct synthesis methods to study the impact of synthesis technique and NiO addition on the electrochemical performance of NiCo2O4. The chosen methods, sol-gel, co-precipitation, and ultrasonication, represent a range of approaches that yield different particle structures and morphologies. The structural and morphological studies of composite samples were investigated using X-ray diffraction (XRD) and field emission scanning electron microscope (FESEM), respectively. XRD analysis revealed the crystalline composition, revealing the presence of two distinct phases: NiO and NiCo2O4. The Rietveld analysis of the composite samples supports the dual phases in the samples. FESEM analysis confirms the change in size and shape of the particles with the synthesis procedure. Optical properties, measured via UV–visible absorbance spectra, demonstrated that the energy gap varied with the synthesis method. The sol-gel samples exhibited the highest energy gap at 2.20 eV. The magnetic properties were measured using the vibration sample magnetometer (VSM), and the results confirm that the synthesis procedure influences magnetic loops and coercivity. The electrochemical performance of the samples in a 3 M potassium hydroxide electrolyte revealed that the co-precipitation method produced the highest capacitance of 398 Fg-1 at a 10 mV/s sweep rate, indicating superior energy storage capacity compared to pure NiCo2O4. Adding NiO phase to the NiCo2O4 matrix is believed to enhance electrochemical performance by creating additional charge at the grain boundaries, leading to a synergistic effect and improved electron and ion transport. The exceptional electrochemical performance of these composite materials suggests that the synthesis methods and the addition of NiO play a critical role in determining the overall efficiency and applicability of battery-type supercapacitors. These findings pave the way for further research into optimizing synthesis parameters to enhance energy storage capacity and inspire the development of advanced spinel metal oxide composite electrodes for supercapacitors and other energy storage applications.

Structural and optical properties of polymer blend nanocomposites based on PVP/PVA incorporated AgNO3

In this study, polymer nanocomposite based on polyvinylpyrrolidone (PVP), polyvinyl alcohol (PVA), and silver nitrate (AgNO3) has been prepared through chemical reduction rate and casting method for varying concentrations of AgNO3. The PVP/PVA blend consisted of 0.6 wt% PVP and 0.4 wt% PVA. Following that, polymer nanocomposites were prepared by incorporating different concentrations of AgNO3 (0, 10, 20, 30, 40, and 50 wt%) into the polymer blend. The effects of different concentrations of AgNO3 on the structural and optical properties of the PVP/PVA blend were investigated using x-ray diffraction (XRD) and UV–vis absorption spectroscopy. The XRD analysis demonstrated that increasing the concentration of AgNO3 results in a decrease in the degree of crystallinity from 53.73 in the PVP/PVA blend to 15.77 in the PVP/PVA nanocomposite containing 50 wt% AgNO3. UV–vis absorbance spectra were examined to determine optical properties such as the absorption coefficient, absorption edge, optical band gap, and tails of localized states. The results revealed that the increase in AgNO3 concentrations caused a reduction in the absorption edge and optical band gap, alongside an increase in Urbach energy.

Tunable optoelectronic performances of fluorinated benzene-EDOT based hybrid electrochromic polymers

Due to its high electronegativity and small atomic radius without undesirable steric hindrance, the incorporation of fluorine atoms into the benzene unit which started from the commercially available compounds is a feasible way to tune the energy levels of polymers, and its electrochromic application is expected to achieve a new breakthrough. Herein, in this paper, benzene units with different fluorine atom numbers were selected as the core and 3,4-ethylenedioxythiophene (EDOT) as the terminal unit, three fluorinated electrochromic precursors (FPh-EDOT, 2FPh-EDOT, and 4FPh-EDOT) were designed and synthesized by Stille coupling reaction, and the corresponding fluorinated π-conjugated electrochromic polymers (P(FPh-EDOT), P(2Ph-EDOT), and P(4FPh-EDOT)) were prepared by electrochemical polymerization method. The effects of different fluorinated benzene units on the photophysics, electrochemistry, and electrochromic properties of precursors and polymers were systematically investigated, and the structure-property relationship was further revealed. All of them have low initial oxidation potentials {FPh-EDOT (0.65 V), 2FPh-EDOT (0.72 V), and 4FPh-EDOT (0.70 V)}, which makes it easy to obtain high-quality new fluorinated polymers at low polymerization potential. With the increase of the number of F atoms, the UV–vis absorption spectra and emission spectra of fluorinated monomer firstly red-shifted and then blue-shifted. The corresponding fluorinated polymers have good electrochemical activity and stability (the P(2Ph-EDOT) activity remained 82.7% after 500 cycles), making it possible to realize their electrochromic devices. All these three fluorinated polymers show obvious color change from the neutral state to the fully oxidized state (P(FPh-EDOT) changes from brown to grayish blue, P(2FPh-EDOT) changes from brown to gray, and P(4FPh-EDOT) changes from dark blue to light blue). The kinetic study further shows that all of them have distinguish electrochromic properties with good optical stability, very short response time (0.9 s for P(2FPh-EDOT) at 700 nm), and favorable coloration efficiency (130.7 cm2 C−1 for P(FPh-EDOT) at 503 nm). Overall, all these three fluorinated polymers have low optical band gap, good redox stability and electrochromic properties, are very promising electrochromic materials, which is worthy for the further research and development.

Investigation of the electronic band gap tuning by Si doping on BeO using UV–VIS spectroscopy and density functional theory

BeO with tissue equivalent features promising dosimetric properties, making BeO particularly suitable for being used in all dosimetry applications. In this work, BeO was synthesized and doped with Si using sol-gel and solid-state methods, respectively. To find the optical band gap of Si-doped BeO nanoparticles (BeO:Si) experimentally, the ultraviolet-visible (UV–Vis) spectroscopy was used. To simulate the electronic band structure of BeO and Si-doped BeO, we used the QUANTUM ESPRESSO code based on density functional theory (DFT). The calculated electronic band structure exhibited insulator behavior and the band gap decreased with Si doping in two potential types. Compared to BeO, a shift toward lower energies was determined from the UV–Vis absorption spectrum of BeO:Si, the simulated and the experimental band gaps were found to be in good agreement. These findings offer insights into the dopant syntheses of BeO and their widespread use for fundamental studies as well as their potential applications.

Enhanced photocatalytic and electrochemical performance of hydrothermally prepared NiO-doped Co nanocomposites.

In this study, we synthesize nanostructured nickel oxide (NiO) and doped cobalt (Co) by combining nickel(II) chloride hexahydrate (NiCl2.6H2O) and sodium hydroxide (NaOH) as initial substances. We analyzed the characteristics of the product nanostructures, including their structure, optical properties, and magnetic properties, using various techniques such as x-ray diffraction (XRD), scanning electron microscopy (SEM), ultraviolet absorption spectroscopy (UV-Vis), Fourier transform infrared (FTIR) spectroscopy, and vibrating sample magnetometers (VSM). The NiO nanoparticles doped with Co showed photocatalytic activity in degrading methylene blue (MB) dye in aqueous solutions. We calculated the degradation efficiencies by analyzing the UV-Vis absorption spectra at the dye's absorption wavelength of 664 nm. It was observed that the NiO-doped Co nanoparticles facilitated enhanced recombination and migration of active elements, which led to more effective degradation of organic dyes during photocatalysis. We also assessed the electrochemical properties of the materials using cyclic voltammetry (CV) and impedance spectroscopy in a 1mol% NaOH solution. The NiO-modified electrode exhibited poor voltammogram performance due to insufficient contact between nanoparticles and the electrolyte solution. In contrast, the uncapped NiO's oxidation and reduction cyclic voltammograms displayed redox peaks at 0.36 and 0.30 V, respectively.

N-Ligands mediated Co(Ⅱ) coordination polymer incorporating 5-hydroxyisophthalic acid: Syntheses, structures, and theoretical calculations

The coordination polymer, [Co(L)(hip)]n (1), (L = 11-fluoro-pyridine[3,2-a:2',3'-c]phenazine and H2hip = 5-hydroxyisophthalic acid), has been successfully synthesized under hydrothermal condition. Complex 1 crystallizes in tetragonal, space group P43212 and the asymmetric unit consists of one Co(II) ion, one hip2- anion and one ligand L. The binuclear [Co2(L)2(hip)4]4- second building unit is formed by the coordination of four different hip2- anions and two Co(L) moieties. The adjacent Co(Ⅱ) centers are connected by the bridging hip2- anions to form a one-dimensional helical chain. Finally, a three-dimensional structure is formed by the self-assembly of the coordination bond between the Co centers and the hip2- anions. The powder X-ray diffraction, thermal analysis, IR analysis, UV-Vis absorption spectrum, photoluminescent properties and theoretical calculation for complex 1 are straight displayed. KEY WORDS: Co(Ⅱ), 5-hydroxyisophthalic acid, Coordination polymer, Crystal structure Bull. Chem. Soc. Ethiop. 2024, 38(4), 877-887. DOI: https://dx.doi.org/10.4314/bcse.v38i4.5

Carbon Dots Modified Multi Dopants Nitrogen and Boron for an Early Detection of Lead in the Environment.

The remarkable optical properties and strong biocompatibility of carbon dots make them highly promising for applications in biochemical sensing and environmental testing. These carbon dots possess a surface that is easily modifiable. In this study, carbon dots have been successfully synthesized and modified by the addition of N and B dopants using the microwave method, along with the functionalization of their surface functional groups with bovine serum albumin (BSA). The maximum fluorescence intensity of N, B-CDs is observed at 462nm when excited at a wavelength of 352nm. N, B-CDs have a spherical size with a diameter ranging from 2 to 6nm, confirmed by UV-Vis absorption spectra and the presence of functional groups in the FT-IR absorption patterns. BSA-functionalized N, B-CDs as the fluorescent probe demonstrate great potential as a sensor for Pb(II) ions in water, with a very low detection limit of 1.05µg/L. This research could contribute to the development of fluorescence nanosensors.

Effect of annealing temperature on the properties and the chromium oxidation state of ZnAl1.94Cr0.06O4 nanoparticles prepared by coprecipitation method

Nanostructured materials doped with Cr+3 have potential applications. However, it has been reported that heat treatment can modify the oxidation state of Cr+3, resulting in the formation of toxic Cr+6 in host matrices such as TiO2, Al2O3, SiO2, ZrO2, and Fe(OH)3. The possibility of this occurrence in nanostructured ZnAl2O4:Cr+3 has not been previously considered. In this study, we report the effect of annealing temperatures within the range of 600–1300 °C on the structure, morphology, optical properties, and, more specifically, the chromium oxidation state of ZnAl1.94Cr0.06O4 nanoparticles obtained through the coprecipitation method. The obtention of single-phase systems with a crystal size ranging from 5.25 nm to 142.75 nm was determined by X-ray diffraction and Rietveld refinement. At 800 °C, a more significant oxidation of Cr+3 was observed, evident in the increased absorption intensity of UV–vis bands associated with Cr+6 and a reduction in magnetic susceptibility at ambient temperature. At 1200 °C, a complete reduction of Cr+6 occurred, leading to the appearance of bands related to Cr+3 in the UV–vis absorption spectra and increased magnetic susceptibility; the results were confirmed by X-ray photoelectron spectroscopy. The outcomes of this study offer new insights into the thermal stability of chromium in ZnAl2O4 nanoparticles.

Strontium oxide–Barium oxide–Aluminium oxide ternary nanocomposite: Photoluminescence and electrochemical analysis for display and supercapacitor applications

indent In the present communication, a ternary nanocomposite (NCs) of Strontium oxide (SrO), Barium oxide (BaO), and Aluminium oxide (Al2O3) were synthesized and their photoluminescence and electrochemical analysis were performed for display and supercapacitor applications. The NCs were synthesized by solution combustion method using both chemical (SBA-U) and green extract as a fuel/reducing agent (SBA-A). The synthesized sample is subjected to calcination at 600 ° C for 3 h. The Bragg reflections of the synthesized NCs can be attributed to hexagonal SrO, tetragonal BaO and spinel cubic γAl2O3. The SEM image clearly shows the presence of agglomerated irregular size and shaped NPs. The agglomeration was found to be more in SBA-U NCs rather than SBA-A NCs. The direct energy band gap was determined from UV-visible absorption spectra using Wood and Tauc’s relation. The estimated energy band gap was found to be less in SBA-A (3.81 eV) than that of SBA-U NCs (3.88 eV). Further, photoluminescence emission spectra recorded at 300 nm excitation wavelength consist of the high-intensity peak in the green region whereas satellite peaks in blue and red regions. However, the CIE plot and color-correlated temperature confirm the present synthesized NCs are promising candidates for display technology as a green phosphor material. Further, electrochemical studies were performed and the supercapacitance value was determined, which varied within the range of 97.2 to 59.6 F/g at different scan rates. Even though the fuel/reducing agent shows their effect on the intensity of photoluminescence spectra, no such variations are observed in the electrochemical studies. The synthesized samples from both methods might find an application in display and supercapacitor applications.

Regioisomerism vs Conformation: Impact of Molecular Design on the Emission Pathway in Organic Light-Emitting Device Emitters.

Despite the design and proposal of several new structural motifs as thermally activated delayed fluorescent (TADF) emitters for organic light-emitting device (OLED) applications, the nature of their interaction with the host matrix in the emissive layer of the device and their influence on observed photophysical outputs remain unclear. To address this issue, we present, for the first time, the use of up to four regioisomers bearing a donor-acceptor-donor electronic structure based on the desymmetrized naphthalene benzimidazole scaffold, equipped with various electron-donating units and possessing distinguished conformational lability. Quantum chemical calculations allow us to identify the most favorable conformations adopted by the electron-rich groups across the entire pool of regioisomers. These conformations were then compared with conformational changes caused by the interaction of the emitter with the Zeonex and 4,4'-bis(N-carbazolyl)-1,1'-biphenyl (CBP) matrices, and the correlation with observed photophysics was monitored by UV-vis absorption and steady-state photoluminescence spectra, combined with time-resolved spectroscopic techniques. Importantly, a CBP matrix was found to have a significant impact on the conformational change of regioisomers, leading to unique TADF emission mechanisms that encompass dual emission and inversion of the singlet-triplet excited-state energies and result in the enhancement of TADF efficiency. As a proof of concept, regioisomers with optimal donor positions were utilized to fabricate an OLED, revealing, with the best-performing dye, an external quantum emission of 11.6%, accompanied by remarkable luminance (28,000 cd/m2). These observations lay the groundwork for a better understanding of the role of the host matrix. In the long term, this new knowledge can lead to predicting the influence of the host matrix and adopting the structure of the emitter in a way that allows the development of highly efficient and efficient OLEDs.

Near-IR-Absorbing Bis-Donor Functionalized Aza-BODIPY Derivatives: Synthesis and Photophysical Study by Using Transient Optical Spectroscopy.

A series of near-IR absorbing 2,6-diarylated BF2-chelated aza-boron-dipyrromethenes (aza-BDPs) derivatives bearing different electron donors (benzene, naphthalene, phenanthrene, phenothiazine and carbazole) were designed and synthesized. The effect of different electron donor substitutions on the photophysical properties was studied by steady-state UV-vis absorption and fluorescence spectra, electrochemical, time-resolved nanosecond transient absorption (ns-TA) spectroscopy and theoretical computations. The UV-vis absorption spectra of AzaBDP-PTZ and AzaBDP-CAR (λabs=710 nm in toluene) showed a bathochromic absorption profile compared with the reference AzaBDP-Ph (λabs=685 nm in toluene), indicating the non-negligible electronic interaction at the ground state between donor and acceptor moieties. Moreover, the fluorescence is almost completely quenched for AzaBDP-PTZ/AzaBDP-CAR (fluorescence quantum yield, ΦF=0.2-0.7 % in toluene) as compared with the AzaBDP-Ph (ΦF=27 % in toluene). However, the apparent intersystem crossing ability of these compounds is poor, based on the singlet oxygen quantum yield (ΦΔ=0.3-1.5 %). The ns-TA spectral study showed typical Bodipy localized triplet state transient features, short-lived excited triplet state for AzaBDP-Ph (τT=53.2 μs) versus significantly long-lived triplet state for AzaBDP-CAR (τT=114 μs) was observed under deaerated experimental conditions. These triplet state lifetimes are much longer than that obtained with diiodoAzaBDP (intramolecular heavy atom effect, τT=1.5~7.2 μs). These information are useful for molecular structure design of triplet photosensitizers, for which longer triplet state lifetimes are usually desired. Theoretical computations displayed that the triplet state is mainly localized on the AzaBDP core, moreover, it was found that the HOMO/LUMO energy gap decreased after introducing donor moieties to the skeleton as compared with the reference.

Innovation of some novel complexes based on 1‐(4‐nitrophenyl)‐1H‐1,2,3‐triazol‐4‐yl)methanol ligand: Synthesis, structural elucidation DFT calculation and pharmaceutical studies

Novel divalent chelates of Co (II), Cu (II), Zn (II) and Ni (II) were prepared and described of the form [M (NTM)(CH3COO)2] where NTM = [1‐(4‐nitrophenyl)‐1H‐1,2,3‐triazol‐4‐yl)methanol ligand. Elemental analyses, infrared red, 1H and 13CNMR, electronic, magnetic susceptibility, conductivity measurements and X‐ray diffraction studies were used to assess our divalent metal complexes. Moreover, the stability and stoichiometry of the novel metal chelates were examined through the job's method in solutions. Correlation of all spectroscopic techniques states that NTM acts as a bi‐dentate NO ligand to afford octahedral complex geometry for all the investigated metal chelates. Thermodynamic and kinetics factors for various thermal degradation phases were calculated. Moreover, B3LYP/LANL2DZ/6‐311 g(d,p) theoretical study has been applied for estimating the MEP and quantum chemical reactivity descriptors of studied molecules. Moreover, the UV–Vis absorption spectra for the investigated molecules are predicted via the time‐dependent DFT (TD‐DFT) calculations. In addition, MOE‐ docking was tested on two different proteins, the receptor of (3HB5) breast cancer mutant oxidoreductase as well as the receptor of Glucosamine‐6‐phosphate synthase in complex with glucosamine‐6‐ phosphate of (2VF5) E.coli and COVID‐19 protease. The results recommended that the (NTMCo), (NTMNi), (NTMCu) and (NTMZn) complexes showed the highest inhibitory activity compared to the other NTM ligands as antimicrobial and breast cancer candidates. Furthermore, in‐vitro anti‐bacterial, anti‐fungal, cytotoxic and anti‐oxidant performances for the selected ligand as well as its chelates were studied. All metal chelates presented superiority, proceeding free organic ligand ineffective management, definitely NTMCu complex.

Exploring odd-even sensitivity in m.OnO.m liquid crystal compounds: A comprehensive study using DFT analysis

In this article, a comprehensive investigation into a series of liquid crystalline compounds belonging to the α,ω-bis(4-alkylanilinebenzylidene-4′-oxy)alkane (m.OnO.m) family has been conducted to unravel their intricate molecular characteristics. The computational investigations employing DFT/B3LYP/6-311G(d,p) level delve into the odd–even effect, exploring how the presence of spacer units influences the structural, electronic, and vibrational properties of these compounds. Optimization analyses reveal the minimum energy configurations, offering valuable insights into spatial arrangements and symmetry. Visualization of molecular structures emphasizes a distinctive odd–even effect, with compounds exhibiting either U-shaped or Z-shaped configurations based on the parity of spacer units. Charge distribution maps further elucidate electronic intricacies, showcasing the interplay of charges among different atoms. Thermodynamic properties and frontier orbital analysis providing a nuanced understanding of the compounds behavior. NLO parameters exhibited a consistent odd–even effect. Potential Energy Distribution (PED), IR, and Raman spectra analysis, provided a detailed symphony of stretching, bending, and torsional motions. UV–Vis absorption spectra uncover distinctive electronic transitions within each compound. In essence, this research sheds light on the profound impact of spacer units, shaping the structural, electronic, and vibrational characteristics of the liquid crystalline compounds. The odd–even effect emerges as a central theme, weaving a captivating narrative of molecular dynamics within this intriguing class of materials.

Multi-responsive luminescent complex for Fe3+, Cr2O72− and CrO42− species in aqueous solution based on aromatic polycarboxylic acid and imidazole-containing ligand: synthesis, crystal structure and selective detection

One Cadmium(II)-based complex, [Cd(LBIX)(HEA)]n (1), was synthesized using 4,4′-bis((1H-imidazol-1-yl)methyl)-1,1′-biphenyl (LBIX) and 1,2-phenylenediacetic acid (H2HEA) as ligands. The analysis of the single crystal structure reveals that 1 possesses a ladder-like chain structure, which extends into a 3D architecture through π···π interactions. 1 was identified through powder X-ray diffraction analysis (PXRD), elemental analysis (EA), infrared spectroscopy (IR) and thermogravimetric analysis (TGA). It can be seen from the luminescence experiment that 1 has high Ksv value (Cr2O72−: 1.51 × 104 M−1, CrO42−: 1.16 × 104 M−1 and Fe3+: 1.26 × 104 M−1) and lower detection limit (Cr2O72−: 1.14 μM, CrO42−: 1.88 μM and Fe3+: 1.14 μM), it is utilized as a multi-response sensor to recognition Fe3+, CrO42− and Cr2O72− in an aqueous solution. Mechanisms in which fluorescence quenching occurs have been examined using techniques such as PXRD, UV–vis absorption spectra, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Due to its excellent selectivity, high sensitivity and strong stability, it is suitable for detecting Fe3+, CrO42− and Cr2O72− ions as a fluorescent probe.

Direct mechanochemical synthesis of CaMoO4 and Dy3+ doped CaMoO4 nanoparticles and their photoluminescent properties

Calcium molybdate (CaMoO4) and Dy3+ doped CaMoO4 (Dy3+ = 0.5, 1, 1.5, 2 and 2.5 at.%) nanoparticles were successfully obtained by mechanochemical approach. The influence of Dy3+ ion concentration on the structure, morphology, and photoluminescent properties were investigated. The CaMoO4 and Dy3+ doped CaMoO4 phases with tetragonal structure were completely prepared after 30 min milling time with applied milling speed of 850 rpm. TEM analysis shows that the synthesized samples consist of mainly spherical particles with narrow particle size distribution. According to both XRD and TEM analysis, the average particles size is below 40 nm. The UV–vis absorption spectra show one peak at 240–245 nm. The calculated optical band gap of pure CaMoO4 is 3.96 eV and it decreases to 3.65 eV with increasing the concentration of Dy3+ ion up to 2.5 at %. The excitation spectra of the Dy3+-doped CaMoO4 samples contain absorption peaks corresponding to the MoO4 group and to the Dy3+ ion. The green and blue light emissions were observed for pure CaMoO4 and Dy3+ doped CaMoO4 samples under different wavelengths excitation (250 and 350 nm) typical for absorption of the host matrix. Emission spectra of all doped powders consist of the characteristic peaks of Dy3+ in the blue (∼480 nm) and yellow (∼575 nm) regions which are assigned to the 4F9/2 → 6H15/2 and 4F9/2 → 6H13/2 transitions, respectively. The weak peak at 660 nm also is observed due to 4F9/2 → 6H11/2 transition of Dy3+ ion. The highest photoluminescence emission intensity was detected when the sample is doped with 1.5 at.% Dy3+ concentration. It was found that the color coordinates (x and y) of 1.5 at.% and 2 at.% Dy3+-doped CaMoO4 fall close to the white light region in the CIE diagram. The results indicate that the mechanochemically obtained Dy3+ doped CaMoO4 nanoparticles can find application in different optical instruments.

Non-covalent interactions of roselle anthocyanins with milk proteins and egg white protein

Roselle (Hibiscus sabdariffa L.) anthocyanins (RA) provides limited stability against hydration and pH changes during digestion which limit their bio-accessibility. The formation of protein-anthocyanin complexes offers a promising strategy for maintaining the stability of RA. Animal proteins are potential candidates for these interactions due to their high digestibility and balanced essential amino acid profile. In this study, we investigated the interactions of RA with animal proteins, specifically whey protein (WHEY) and casein (CAS) from milk, as well as ovalbumin (OVA) from egg white. Highly purified RA was obtained using XAD-7HP, SCX, and C18 column chromatography to facilitate the study of protein-anthocyanin interactions. Fluorescence spectra indicate that RA bound to the three proteins, leading to the quenching of their intrinsic fluorescence. UV–visible absorption spectra reveal changes in the polypeptide skeletons of the proteins after interacting with RA. Circular dichroism (CD) spectra show alterations in the secondary structure contents of α-helix, β-sheet, β-turn, and random coil upon interaction with RA. Molecular docking studies elucidate the docking active sites of proteins with RA. These interactions resulted in enhanced stability of RA during in vitro simulated digestion for all three proteins. Whey protein emerges as the most promising candidate for enhancing the stability of RA, thereby contributing to the potential application of RA in various food products. Our research provides a theoretical foundation for the utilization of WHEY-RA complexes in beverages and dairy products.

Investigation on the binding behaviors of two dihydrochalcones to bovine serum albumin and their anti-glycation activities

The interactions of two dihydrochalcones (naringin dihydrochalcone (NGDC) and neohesperidin dihydrochalcone (NHDC)) with bovine serum albumin (BSA) and their anti-glycation effects were studied utilizing multiple spectral methods and molecular simulation technique. The findings proved that NGDC/NHDC could use a static quenching mechanism to reduce the intrinsic fluorescence of BSA, and the interaction between NGDC/NHDC and BSA was a spontaneous behavior with the binding constant ranging from 104 to 105M−1. Furthermore, NGDC and NHDC mainly interacted with the site I (subdomain IIA) of BSA via hydrophobic interactions and hydrogen bonds, endorsed by molecular docking study. A conjoint analysis of circular dichroism, three-dimensional fluorescence, dynamic light scattering, and UV-vis absorption spectra confirmed that NGDC/NHDC could induce some alterations in the spatial conformation and microenvironment of BSA. Additionally, NGDC and NHDC inhibited the non-enzymatic glycation of BSA by decreasing the contents of advanced glycation end products (AGEs), trapping methylglyoxal/glyoxal and maintaining the stability of the natural conformation of the protein. Overall, these findings were highly beneficial in disclosing the interaction mechanisms between dihydrochalcones and BSA and providing valuable information for the application of dihydrochalcones as functional food ingredients.

Sustainable synthesis of zinc oxide nanoparticles using Terminalia chebula extract: Effect of concentration and temperature on properties and antibacterial efficacy

Nanotechnology has revolutionized various fields, offering promising applications in medicine, catalysis, electronics and environmental remediation. One of the key challenges in nanoparticle synthesis is the development of environmentally friendly methods. A fruit extract of Terminalia chebula was used to make zinc oxide nanoparticles (ZnONPs), which were then annealed at temperatures ranging from 400 to 800 °C. The structural and optical properties of the annealed zinc oxide nanoparticles were investigated using different characterization techniques, such as FTIR, XRD, UV–visible spectroscopy, HR-TEM, SEM and EDX. The crystallinity, shape and size of the as-prepared ZnONPs showed a change when the annealing temperature was increased to 800 °C. A small red shift in the UV–vis absorption spectra was clearly observed with an increase in the annealing temperature. The antibacterial activity of the as-synthesised annealed ZnONPs was further tested against Salmonella enterica, Staphylococcus aureus and Escherichia coli. The antibacterial properties of the as-synthesised ZnONPs were synergistic. Formulation of ZnONPs at 400 and 600 °C showed the most effective antibacterial activity against gram negative strains.

Proliferating optoelectronic properties of doped ZnO nanoparticles

Ag-doped ZnO nanocomposites were synthesized precisely by adopting a wet chemical method to explore their optoelectronic characteristics for LED applications. Characterization studies have progressed for substantiation of its structural, and functional characteristics in conjugation with the optical properties of nanocomposites before and after doping. The metal-oxygen bonding was affirmed from IR spectra and excitation characteristics were detailed from UV–visible absorption spectra. The SEM images along with Energy dispersive X-ray analysis deliberates hexagonal morphology for pure ZnO which was surprisingly reformed into poly hexagon structures after doping with silver ions. The pertinence of the target material for LED application was verified by performing photoluminescence and charge density measurements. The doping of silver ions into ZnO presents a novel avenue in the field of optronics and serves as appropriate phosphors for light-emitting diodes. The application of the title compound was established by providing nano coating to LED bulb and emission efficiencies was recorded before and after coating. The present research recommends a unique method of nanocoating of LED bulb for efficient light intensity.

Green synthesis of CdS/flaxseed mucilage nanocomposite films using gamma irradiation for packaging applications

Abstract The most common ways to produce nanoparticles are through chemical and physical processes, which can be expensive and environmentally hazardous. Using plant extracts (green synthesis) as reducing and capping agents is a simple, cost-effective, and environmentally friendly method of lowering the usage of dangerous chemicals in the synthesis of metal nanoparticles. This study covers the environmentally friendly synthesis of cadmium sulphide nanoparticles (CdS NPs) using a blend of flaxseed extracts (FM), polyvinyl alcohol (PVA), and chitosan (Cs). The composites are then exposed to gamma irradiation at doses of 20 kGy and 40 kGy. UV–VIS absorption spectroscopy, SEM, HRTEM, EDX, and FTIR were used to analyse the produced nanocomposite films. UV–Vis absorption spectra showed considerable surface Plasmon resonance (SPR) bands at 396–440 nm, indicating that CdS NPs had been successfully synthesized. A progressive red shift in wavelength was noted, along with the broadening of the absorption band as the irradiation dose increased. Transmission electron microscopy pictures revealed that the generated CdS nanostructures were dispersed as spherical nanoparticles with remarkable structural homogeneity. Tensile strength and elongation measurements of the films revealed that the inclusion of CdS NPs improved their mechanical properties. The addition of CdS NPs to the current blends limits biodegradation in soil. Thermal gravimetric analysis findings showed that CdS NPs included in FM/PVA films had improved thermal stability. The antimicrobial activities of the tested films were performed against Staphylococcus aureus, Escherichia coli, and Candida albicans. The results revealed that all of the films exhibited more antibacterial activity against S. aureus than the two others, with the highest activity observed in nanocomposites with a high concentration of CdS.