Powder Diffraction Research Articles

Aloebarbadensis - Assisted MgBiO/MgCuBiO/MgBaBiO nanocomposites as effective gamma shielding novel materials

For the first of its kind, MgO/Bi2O3 (1:1) (MBO), MgO/CuO/Bi2O3 (1:1:1) (MCBO) and MgO/BaO/Bi2O3 (1:1:1) (MBBO) binary/ternary nanocomposites (NCs) were synthesized by Aloe barbadensis (Aloe vera) mediated solution combustion method. The as-formed NCs are subjected to calcination for 3 h at 600oC.The Mg-based NCs acquired are subjected to various analytical characterization methodologies, including PXRD (Powder X-ray Diffraction), SEM (Scanning Electron Microscopy), EDS (Energy Dispersive X-ray Spectroscopy), FTIR (Fourier Transform Infrared Spectroscopy), and Ultraviolet–Visible Spectroscopy (UV–Vis). The Bragg reflections confirm the formation of monoclinic phase BaO, Bi2O3, cubic MgO and tetragonal CuO nanoparticles. The surface morphology of MBO, MCBO and MBBO NCs consists of irregular sized, leafy and burrow like structured agglomerated NPs with hollows and voids/pores. The Eg (direct energy band gap) determined from W-H (Wood and Tauc's) plot was found to be 3.09, 3.19 and 3.12 eV for MBO, MCBO and MBBO NCs respectively. The evaluation of gamma radiation shielding properties was conducted using a NaI (Tl) detector connected to a multi-channel analyzer. Shielding parameters of MBO, MCBO and MBBO, such as μ/ρ (mass attenuation coefficient), λ (mean free path), HVL (half-value layer), TVL (tenth-value layer) are measured. Among the as-synthesized Mg-based NCs, MBO exhibits better shielding properties compared to MCBO and MBBO. Thus, the procured Mg-based NCs are suitable for applications where weight reduction is critical, such as aerospace or portable radiation shielding systems.

Catalytic and Electrochemical Study of Cu-ZSM-5/MCM-41.

Hierarchically structured micro-mesoporous ZSM-5/MCM-41 composite materials incorporating copper ions were synthesized using pre-synthesized ZSM-5 and cetyltrimethylammonium bromide (CTAB) as a template for forming the MCM-41 structure. The composites were characterized through powder X-ray diffraction, N2 adsorption-desorption, diffuse reflectance spectroscopy (UV-vis DRS), Fourier transform infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy, and energy dispersive X-ray spectroscopy. X-ray diffraction confirmed well-ordered ZSM-5 and MCM-41 structures, and UV-vis DRS showed successful copper ion incorporation. N2 adsorption-desorption revealed the presence of both microporous and mesoporous structures. To evaluate their catalytic performance, Cu-incorporated ZSM-5/MCM-41 composite catalysts were assessed through the oxidation reaction of ethylbenzene using tert-butyl hydroperoxide (TBHP) as the oxidizing agent. With a 9% (w/w) Cu-ZM-5 (5 wt % copper-incorporated ZSM-5/MCM-41) catalyst and an oxidant to ethylbenzene molar ratio of 2:1 at 40 °C in the absence of a solvent for 4 h, the process yielded acetophenone (93.2%) as the major product. Additionally, these Cu-incorporated composites were examined as electrode materials for electrochemical storage. Cyclic voltammetry and galvanostatic charge-discharge studies showed that Cu-ZM-5 exhibited pseudocapacitive behavior, with a capacitance of up to 366 F g-1 at a current density of 1 A g-1, surpassing ZSM-5 and ZSM-5/MCM-41. These results highlight Cu-ZM-5's potential as an effective electrode material for electrochemical storage applications like supercapacitors.

Lattice symmetry relaxation as a cause for anisotropic line broadening and peak shift in powder diffraction.

In powder diffraction, lattice symmetry relaxation causes a peak to split into several components which are not resolved if the degree of desymmetrization is small (pseudosymmetry). Here the equations which rule peak splitting are elaborated for the six minimal symmetry transitions, showing that the resulting split peaks are generally broader and asymmetric, and suffer an hkl-dependent displacement with respect to the high-symmetry parent peak. These results will be of help in Rietveld refinement of pseudosymmetric structures where an exact interpretation of peak deformation is required.

Beta-Hydroxybutyric Acid as a Template for the X-ray Powder Diffraction Analysis of Gamma-Hydroxybutyric Acid

In this paper, we report the possibility of using the X-ray powder diffraction (XRPD) technique to detect gamma-hydroxybutyric acid (GHB) in the form of its sodium salt in different beverages, but because it is not possible to freely buy GHB, beta-hydroxybutyric acid (BHB) and its sodium salt (NaBHB) were used as a model to fine-tune an X-ray diffraction method for the qualitative analysis of the sodium salt of GHB. The method requires only a small quantity of beverage and an easy sample preparation that consists only of the addition of NaOH to the drink and a subsequent drying step. The dry residue obtained can be easily analyzed with XRPD using a single-crystal X-ray diffractometer, which exploits its high sensitivity and allows for very fast pattern collection. Several beverages with different NaBHB:NaOH molar ratios were tested, and the results showed that NaBHB was detected in all drinks analyzed when the NaBHB:NaOH molar ratio was 1:50, using a characteristic peak at very low 2θ values, which also permitted the detection of its presence in complex beverage matrices. Moreover, depending on the amount of NaOH added, shifting and/or splitting of the characteristic NaBHB salt peak was observed, and the origin of this behavior was investigated.

Highly Specific Non-Enzymatic Electrochemical Sensor for the Detection of Uric Acid Using Carboxylated Multiwalled Carbon Nanotubes Intertwined with GdS-Gd2O3 Nanoplates in Human Urine and Serum.

Herein, the electrochemical sensing efficacy of carboxylic acid functionalized multiwalled carbon nanotubes (C-MWCNT) intertwined with coexisting phases of gadolinium monosulfide (GdS) and gadolinium oxide (Gd2O3) nanosheets is explored for the first time. The nanocomposite demonstrated splendid specificity for nonenzymatic electrochemical detection of uric acid (UA) in biological samples. It was synthesized using the coprecipitation method and thoroughly characterized. The presence of functional groups and disorder in the as-synthesized nanocomposite are confirmed using Fourier transform infrared spectroscopy and Raman spectroscopy. Furthermore, field emission scanning electron microscopy, high-resolution transmission electron microscope, X-ray powder diffraction, and X-ray photoelectron spectroscopy provides a clear understanding of the morphology, coexisting phases, and elemental composition of the as-synthesized nanocomposites. The differential pulse voltammetry technique was utilized to elaborate the electrochemical sensing of UA using a GdS-Gd2O3/C-MWCNT modified glassy carbon electrode (GCE), The sensor showed an enhanced current response by more than 2-fold compared to bare GCE. Also, the sensor's performance was further improved by dispersing the nanocomposite in an ionic liquid with the exceptional reproducibility (SD = 0.0025, n = 3). The fabricated UA sensor GdS-Gd2O3/C-MWCNT/IL/GCE demonstrated a wide linear detection range from 0.5-30 μM and 30-2000 μM, effectively covering the entire physiological range of UA in biological fluids with a limit of detection (LOD) of 0.380 μM (+3SD of blank) and a sensitivity of 356.125 μA mM-1 cm-2. Moreover, the electrodes exhibited storage stability for 2 weeks with decrease in zero-day current by only 4.5%. The sensor was validated by quantifying UA in 12 unprocessed clinical human urine and serum samples, and its comparison with the gold standard test yielded remarkable results (p < 0.05). Hence, the proposed nonenzymatic electrochemical UA sensor is selective, sensitive, reproducible, and stable, making it reliable for point-of-care diagnostics.

Visible Light-Triggered Catalytic Performance of Reduced Graphene Oxide Decorated With Copper Oxide Nanocomposite for Degradation of Rhodamine B Dye and Kinetics Studies.

Herein, novel nanocomposites based on reduced graphene oxide decorated copper oxide nanoparticles (rGO/CuO) were prepared by the in situ co-precipitation method. The structural, morphological, and optical characterization of as-prepared nanocomposites was performed by powdered x-ray diffraction (p-XRD), scanning electron microscopy (SEM), and Fourier-transform infrared (FTIR), Raman, and ultraviolet-visible (UV-Vis) spectroscopy, respectively. The as-prepared nanocomposites exhibited better photocatalytic activity of rhodamine B dye with maximum ~94% degradation in 120 min with a rate constant of 0.2353 min-1 under optimized conditions. Furthermore, the effects of solution pH and catalyst loading are studied on the degradation process. Therefore, this state-of-the-art strategy for the decoration of CuO nanoparticles onto the surface of rGO nanosheets could be an ideal platform for fabricating highly efficient photocatalysts.

Identifying crystal structures beyond known prototypes from x-ray powder diffraction spectra

The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically relevant crystal structure prototypes. In this paper, we present a scheme to resolve powder diffraction data into crystal structures with precise atomic coordinates by screening the space of all possible atomic arrangements, i.e., structural prototypes, including those not previously observed, using a pre-trained machine learning (ML) model. This involves (i) enumerating all possible symmetry-confined ways in which a given composition can be accommodated in a given space group, (ii) ranking the element-assigned prototype representations using energies predicted using the Wyckoff representation regression ML model [Goodall , ], (iii) assigning and perturbing atoms along the degree of freedom allowed by the Wyckoff positions to match the experimental diffraction data, and (iv) validating the thermodynamic stability of the material using density-functional theory. An advantage of the presented method is that it does not rely on a database of previously observed prototypes and is, therefore capable of finding crystal structures with entirely new symmetric arrangements of atoms. We demonstrate the workflow on unidentified x-ray diffraction spectra from the ICDD database and identify a number of stable structures, where a majority turns out to be derivable from known prototypes. However, at least two are found not to be part of our prior structural data sets. Published by the American Physical Society 2024

Energy trapping to substitutional and charge compensation defects in persistent luminescent BaAl2O4:Tb3+

Abstract The holistic approach of the photoluminescence (PL), thermoluminescence (TL), and persistent luminescence properties at room temperature of BaAl2O4:Tb3+ were investigated in detail using a wide range of techniques. Materials were obtained using a solution combustion synthesis. The X-ray powder diffraction patterns of nondoped and Tb3+ doped BaAl2O4 indicated the hexagonal phase, and a Tb4O7 solid solution was observed at 4 and 5 mol% Tb doped aluminate. X-ray photoelectron spectroscopy revealed that Ba occupied one site and that Tbions occupied this site as Tb3+ as well as TbIV. PL emission in blue, green, and red was observed under an excitation at 228 nm, that originated from the interconfigurational 4f8–4f75d1 transitions of Tb3+. Time-of-flight secondary ion mass spectroscopy, UV-vis diffuse reflectance, and PL revealed the presence of a Cr3+ impurity. The 0.5 mol% Tb3+ doped BaAl2O4 exhibited a strong TL band at 354, 437 and 598 K, which were attributed to the traps formed by Tb3+ doping and subsequent O2- charge compensation. A persistent luminescence mechanism was constructed for the Tb3+ doped BaAl2O4.After the energy was stored in thermally liberated Tb3+ in the Ba2+ substitution sites and charge compensation defects, the Tb3+ was the source of the continuous luminescence.&amp;#xD;

Electrochemical Detection of H2O2 Using Bi2O3/Bi2O2Se Nanocomposites

The development of high-performance hydrogen peroxide (H2O2) sensors is critical for various applications, including environmental monitoring, industrial processes, and biomedical diagnostics. This study explores the development of efficient and selective H2O2 sensors based on bismuth oxide/bismuth oxyselenide (Bi2O3/Bi2O2Se) nanocomposites. The Bi2O3/Bi2O2Se nanocomposites were synthesized using a simple solution-processing method at room temperature, resulting in a unique heterostructure with remarkable electrochemical characteristics for H2O2 detection. Characterization techniques, including powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM), confirmed the successful formation of the nanocomposites and their structural integrity. The synthesis time was varied to obtain the composites with different Se contents. The end goal was to obtain phase pure Bi2O2Se. Electrochemical measurements revealed that the Bi2O3/Bi2O2Se composite formed under optimal synthesis conditions displayed high sensitivity (75.7 µA µM−1 cm−2) and excellent selectivity towards H2O2 detection, along with a wide linear detection range (0–15 µM). The superior performance is attributed to the synergistic effect between Bi2O3 and Bi2O2Se, enhancing electron transfer and creating more active sites for H2O2 oxidation. These findings suggest that Bi2O3/Bi2O2Se nanocomposites hold great potential as advanced H2O2 sensors for practical applications.

Electronic angle focusing for neutron time-of-flight powder diffractometers

A neutron time-of-flight (TOF) powder diffractometer with a continuous wide-angle array of detectors can be electronically focused to make a single pseudo-constant wavelength diffraction pattern, thus facilitating angle-dependent intensity corrections. The resulting powder diffraction peak profiles are affected by the neutron source emission profile and resemble the function currently used for TOF diffraction.

Influence of V substitutions on sintering behaviors and microwave dielectric properties of Ba4LiNb3O12 ceramic

AbstractIn this study, a series of Ba4Li(Nb1‐xVx)3O12 (x = 0.05∼0.3) ceramics were synthesized using the solid‐state reaction method. X‐ray powder diffraction (XRD) analysis shows that the composite ceramics contain both Ba4LiNb3O12 and Ba3(VO4)2 phases, without any other phases present. The grains consist of Ba4LiNb3O12 and Ba3(VO4)2, as illustrated by scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). Additionally, with the increase of V content, the grain size decreases, and the (microwave dielectric constant) decreases, the (resonant frequency temperature coefficient) value decreases, and the value increases (where = quality factor = 1 / dielectric loss, and = resonant frequency). The densest Ba4Li(Nb0.7V0.3)3O12, with a of 31.3, of + 70 ppm/°C, and high of 42 850 GHz, was obtained at a sintering temperature of 1350°C. Furthermore, the addition of 5 wt.% BaCu(B2O5) (BCB) into Ba4Li(Nb0.7V0.3)3O12 resulted in obtaining dense ceramics at a sintering temperature of 925°C, with a of 23.5, a high value of 14 370 GHz, and of + 88 ppm/°C. Further investigations have shown that Ba4Li(Nb1‐xVx)3O12 ceramics are chemically compatible with Ag, suggesting its potential use in low‐temperature cofired ceramics technology.

Experimental determination of phase stability of the cubic L12 HfAl3-xZnx phase

The present study is devoted to the experimental investigation of homogeneity range and heat of formation (ΔfH° at 300K) of the cubic L12–HfAl3-xZnx solid solution. A high-temperature direct drop calorimeter has been employed to synthesize and simultaneously determine the ΔfH° of several alloys along the HfZn3–HfAl3 section (25 at. % Hf) whereas X-Ray Powder Diffraction (XRPD) and Scanning Electron Microscopy (SEM) paired with an EDS (Energy Dispersive Spectrometer detector) have been employed to characterize the samples. The performed analysis confirmed that the ternary HfAl3-xZnx alloys were nearly single phase in the range 1 ≤ x ≤ 2.24 having the cubic L12 structure; this in turn helps establish the trend of L12 lattice parameter (at room temperature) with composition. Thanks to the interpolation of our experimental data, the following values of ΔfH° (kJ/mol-atom at 300K) for the L12–HfAl3-xZnx were determined: -37.1±2.0 (HfAl0.8Zn2.2 corresponding to Hf25Al20Zn55 at. %), -41.7±2.0 (HfAl1.2Zn1.8 corresponding to Hf25Al30.0Zn45.0 at. %), -45.1±2.0 (HfAl1.5Zn1.5 corresponding to Hf25Al37.5Zn37.5 at. %) and -48.5±2.0 (HfAl1.8Zn1.2 corresponding to Hf25Al45.0Zn30.0 at. %). For two pertinent binary intermetallic phases, the following ΔfH° values (in kJ/mol-atom) at 300K have been obtained: -31.8±3.0 for HfZn3 (unknown structure) and -37.0±2.0 for HfAl3 (tetragonal DO23 – type structure).

An easy, low-cost and efficient method for the extraction of benzoic acid and sorbic acid from orange juice and cola soft drink based on PET plastic stir bar sorptive extraction

In this research, a simple, convenient and low-cost method was used for the simultaneous extraction of benzoic acid (BA) and sorbic acid (SA) with the help of stir bar sorptive extraction (SBSE) method followed by HPLC-UV. Polyethylene terephthalate (PET) was used to cover the stir bar. The source of PET was mineral water plastic bottles, which create a porous polymer coating after dissolving in trifluoroacetic acid (TFA) and mixing with polyvinylpyrrolidone (PVP). The simple strategy of converting waste PET plastic can not only reduce environmental pollution caused by microplastics, but also create an inexpensive and efficient material for coating of stir bar. The obtained polymer was identified by Fourier-transform infrared (FT-IR), field emission-scanning electronic microscope (FE-SEM), X-ray powder diffraction (XRD) and energy dispersion spectroscopy (EDS) techniques. After optimizing the factors affecting the extraction by Box-Behnken design and response surface methodology (RSM), a linear range of 10 to 7000μg/L with a coefficient of determination (R2) of more than 0.9984 was obtained for the mentioned compounds. The detection limit for BA and SA was 6 and 5μg/L, respectively. This method was successfully applied to measure BA and SA in cola soft drink and orange juice samples. The recovery of more than 92.4% and the error of less than 5.1% indicate the applicability of this method.

Revolutionizing fast disintegrating tablets: Harnessing a dual approach with porous starch and sublimation technique

This study investigates the transformation of neat starch (NS) from mung beans into porous starch (PS) for the formulation of fast-disintegrating tablets (FDTs) using the sublimation technique, contrasting their performance with superdisintegrants such as sodium starch glycolate (SSG) and croscarmellose sodium (CS). Camphor was used as a sublimating agent. The interaction between drug and excipients was analyzed using Fourier-transform infrared spectroscopy (FTIR), while preformulation assessments were conducted on powder blends. Model drug Diclofenac sodium (DL)-loaded FDTs were prepared via direct compression technique. Thermal behavior and crystalline properties were evaluated using differential scanning calorimetry (DSC) and powder X-ray diffraction (PXRD), respectively. Compressibility of tablets was assessed through Heckel and Kawakita analyses. Post-compression evaluations encompassed hardness, thickness, in vitro disintegration, and dissolution studies. FTIR analysis indicated the absence of chemical interactions among constituents, while precompression analyses confirmed favorable flow properties of the blends. Heckel analysis supported the material's notable compressibility. Microscopic examination revealed the formation of pores on the tablet surface due to the sublimation process. Integration of PS significantly accelerated the disintegration time of FDTs, with durations ranging from 50 to 82 s, compared to 76–104 s for NS-FDTs. While PS-FDTs exhibited a longer disintegration time compared to SSG, they demonstrated faster disintegration compared to croscarmellose sodium. A significant disparity (p<0.01) in drug release at 60 min was observed between SSG and PS-FDTs, with DP3 achieving 97.65 % drug release. Most batches followed the Korsmeyer-Peppas model, except for DN2 and DN3, which adhered to Higuchi-matrix drug release kinetics. Stability assessments after 90 days revealed no significant differences (p>0.05). Conclusively, this study highlights the effectiveness of PS and the sublimation method in creating FDTs with enhanced drug release properties.

Assembly of Fe@Zn-Coordination Polymer Composite: Iron Doping Foster the Luminescent Detection for Tetracycline, Uric Acid and Cr2O72− and Crystal Violet Degradation Efficiency

Coordination polymers exhibit a diverse array of applications across various fields, and through the development of composite materials, their utility and versatility are further enhanced, broadening their impact on our world. In this work We synthesized the first coordination polymer (CP) based on Zn and doped with Fe composites (Fe@Zn-CP Composite), which exhibit enhanced photocatalytic activity triggered by visible light. Using mixed ligands orotic acid potassium salt, 1,3 di (4-pyridyl) propane (dpp), and FeSO4 in a simple method at ambient temperature, the Zn-CP [Zn8(Or)8(dpp)4(H2O)8] was resynthesized here to form the Fe@Zn-CP composites. Zn-CP and Fe@Zn-CP Composite were both characterized by powder X-ray diffraction, FT-IR spectra analysis, and SEM-EDX analysis and elemental mapping analysis. It has been observed that Fe@Zn-CP Composite is as multi-functional luminescence sensor for MnO4−, Cr2O72− and Tetracycline with high sensitivity. In-depth research has also been done on the recyclable nature, and photocatalytic efficiency of Zn-CP and Fe@Zn-CP Composite for the decomposition of organic dyes Crystal Violet and Rose Bengal (RB) in contaminated water under the sunlight irradiation.

Two mercury(II) halide coordination polymers with efficient photoluminescence

Two coordination polymers (CPs), [Hg(Bpbp)X2]n (X = Br (1), I (2), Bpbp = 4,4′-bis(4-pyridyl)-biphenyl), were synthesized via solvothermal synthesis methods, and were further fully characterized by single crystal X-ray diffraction, powder X-ray diffraction, elemental analyses, FT-IR spectroscopy, and thermogravimetric analyses. The two CPs exhibit similar one-dimensional zigzag chain structures constructed by Bpbp ligand connecting Hg(II) cations with halide ions as terminal ligands, while the zigzag chains show different configurations, symmetries and packing modes. The results of photoluminescence experiments and DFT calculations indicate that both the halide anions and conjugated Bpbp ligands show important roles in the emission process of CPs, and halide anions may tune the luminescence properties of CPs.

Exploring the influence of sintering temperature on the phase composition, mechanical strength, and dielectric constant of porous ca-stabilized zirconium dioxide ceramics

ZrO2 ceramics have wide applications as structural materials in industrial, scientific, and technological fields. Despite the large number of works devoted to the influence of synthesis parameters on the formation of different phases of ZrO2 and the properties of the obtained ceramics, the effect of sintering temperature on the characteristics of the porous ZrO2 ceramics has not been addressed sufficiently. This study focuses on examining how sintering temperature affects the phase composition, microstructure, dielectric properties, and mechanical properties of porous stabilized zirconium dioxide ceramics. Phase transformations during sintering at various temperatures were identified using powder X-ray diffraction and Raman spectroscopy. The results indicate that fully stabilized cubic ZrO2 with satisfactory mechanical properties (HV0.5 = 580) and a porosity of 21.5% was achieved at temperatures of 1400 and 1500 ℃. At lower sintering temperatures, the obtained samples exhibited multiphase composition and high porosity. The reasons for the formation of the CaZrO3 phase at sintering temperatures of 1000–1200 ℃ were established using scanning electron microscopy, energy dispersive analysis, and thermodynamic considerations of the solid-phase reactions. AC dielectric measurements showed that the synthesized samples have high-Q characteristics; and that the dielectric constant can be controlled by changing the sintering temperature.

Synthesis, characterization, antimicrobial, anticancer and the theoretical calculation of a novel N, O-multidentate chelating ligand and its Cu(II) and Fe(III) complexes

A new group of Cu(II) and Fe(III) complexes has been produced utilizing the ligand (Z)-N′-(1-(thiophen-2-yl)ethylidene)-2-(p-tolylamino)acetohydrazide (H2L). The chemical structure of new compounds has been established using FT-IR, 1H NMR, electronic spectra, powder X-ray diffraction, and thermal behavior. The Gaussian 09 program used the Density Functional Theory (DFT) approach to optimize the geometry of all synthesized compounds to acquire the best possible structures and significant parameters. The examination of biological aspects included the study of microbial and breast cancer cell lines. It was found that both the ligand and the complexes exhibited strong antibacterial activity against the studied bacterial species. The complexes worked as strong antifungal agents filamentous fungi like Candida albicans. The H2L ligand and its Cu(II) complexes (M1 and M2) were more effective against Candida albicans than Fe(III) complex, which showed no activity against Aspergillus niger. Both mononuclear and binuclear copper (II) complexes expanded their antifungal capabilities to target Aspergillus niger, surpassing the effectiveness of the standard drug. Amphotericin was used as a reference. Following testing against the MCF-7 breast cancer cell line, the reactivity of all compounds was investigated. All complexes showed an intriguingly powerful antiproliferative potential. The compounds’ activities were organized like this: Cu(II) Complexes (M2, M1) > Fe(III) Complex (M3) > H2L Ligand. Molecular docking simulation identified the active amino acids relevant to microbial and breast cancer studies.

Molecular Interaction and Solubilization Efficiency of Neohesperidin in Ternary Systems with Hydroxypropyl-β-cyclodextrin and Meglumine

The solubilization of poorly water-soluble natural bioactive compounds remains a significant challenge. This study aims to design a ternary inclusion system to enhance the solubility of the poorly water-soluble compound Neohesperidin (NH). Soluble ternary cyclodextrin complexations (t-CDs) containing NH, 2-hydroxypropyl-β-cyclodextrin (HP-β-CD), and meglumine (MEG) were prepared and optimized. The optimized t-CDs were further characterized using Scanning Electron Microscopy (SEM), Powder X-ray Diffraction (PXRD), Differential Scanning Calorimetry (DSC), Fourier Transform Infrared Spectroscopy (FTIR), Nuclear Magnetic Resonance (NMR), and molecular docking (MD) techniques. The results suggested that NH formed was associated with MEG through hydrogen bonds with MEG, and was subsequently incorporated into the hydrophobic cavity of HP-β-CD, which may be a key factor in improving its solubility. The solubility of NH in water at 37 °C increased significantly from 0.16 mg/mL to 5.81 mg/mL in the optimized t-CDs (NH/MEG/HP-β-CD).

Synthesis and Investigation of the Optical Characteristics of RE3+ Activated Ca2Li2Si2O7 (Rare Earth = Eu, Tb) Phosphor for W-LED Application

Novel Eu3+ and Tb3+ ions-doped Ca2Li2Si2O7 luminescent materials were prepared by a low-temperature solid-state reaction technique for LED application. The electronic transitions of 5D0 → 7F2 (Eu3+) and 5D4 → 7F5 (Tb3+) have caused the luminescent material to exhibit strong luminosity in 613 nm (red) and 545 nm (green), respectively. Fourier transform infrared (FT-IR) spectra were applied for the identification of functional groups, and powder X-ray diffraction (XRD) was used for structural analysis. Morphological data was gathered using scanning electron microscopy (SEM). Its color was also determined by calculating the CIE coordinates. The excitation, PL properties, and luminescence decay time of the emission transitions of Eu3+ (5D0 → 7F2) and Tb3+ (5D4 → 7F5) were measured in order to analyze luminosity spectra.