ACS Omega最新文献

Vitamin C (l-ascorbic acid, ASC) and the amide form of vitamin B3 nicotinamide (NIC) can form cocrystals through hydrogen bonding. Currently, there is a lack of fast and reliable alternatives for precisely quantifying cocrystal components and their purity. Spectrophotometric analysis for quantifying such vitamin preparations is challenging due to overlapping absorbance bands in a narrow wavelength range in the ultraviolet (UV) region. Moreover, ASC undergoes progressive degradation if not diluted in a proper medium, requiring stability during quantitative analysis. This study adopted a fast, simple, and reliable two-component spectrophotometric assay for simultaneously determining ASC and NIC based on the first-order derivative spectrophotometry (FODS) method using sodium oxalate as a stabilizer for vitamin C. The FODS method showed linearity between 2 and 24 μg·mL^–1 and good precision. The standard addition method was employed to validate FODS, with high recovery percentages (96.5 to 102.4% for ASC and 95.3 to 101.9% for NIC). The FODS method was successfully applied to quantify ASC and NIC in bulk powder produced by the gas antisolvent method. The proposed method could estimate cocrystal purity through mass balance regarding the expected 1:1 stoichiometry, confirmed by PXRD and DSC. Cocrystal purity determined by the FODS method (58–100%) aligned well with results from LC–MS (62–100%), with an accuracy exceeding 97%. The FODS method is as sensitive and accurate as high-performance liquid chromatography for simultaneously determining vitamin concentrations deriving from cocrystals. However, it is less costly, more efficient, and a suitable alternative to classical solid-state methods for estimating cocrystal purity.

Motivated by a recent study on the air stability of PdSe₂, which also reports the metastability of the PdO₂ monolayer [Hoffman, A. N. . npj 2D Mater. Appl. 2019, 3(1), 50.], in this work, we use density functional theory (DFT) to further explore the thermal, dynamic, and mechanical stability of monolayer PdO₂ and study its structural and electronic properties. We further studied its vertical heterojunction composed of 1T-PdO₂ and graphene monolayers. We show that both the monolayer and the heterojunction are energetically and dynamically stable with no negative frequencies in the phonon spectrum and belong to the vdW-type. 1T-PdO₂ is an indirect-band-gap semiconductor with band-gap values of 0.5 eV (GGA) and 1.54 eV (HSE06). The interface properties of the heterojunction show that the n-type Schottky barrier height (SBH) becomes negative at the vertical interface in the PdO₂/graphene contact, forming an Ohmic contact and mainly suggesting the potential of graphene for efficient electrical contact with the PdO₂ monolayer. However, at the same time, a negative band bending occurs at the lateral interface based on the current-in-plane model. Moreover, the optical absorption of the PdO₂/graphene heterojunction under visible-light irradiation is significantly enhanced compared to the situation in their free-standing monolayers.

Scintillators have garnered heightened attention for their diverse applications in medical imaging and security inspection. Nonetheless, commercial scintillators encounter challenges with costly rare-earth metals and toxic elements like thallium (Tl), driving the need for sustainable, cost-effective, and eco-friendly alternatives to meet contemporary X-ray detection demands. This study focuses on exploring the potential of Cu⁺-doped Rb₂AgI₃ as an effective metal halide (MH) scintillator. One-dimensional (1D) Rb₂AgI₃ and Cu⁺-doped Rb₂AgI₃ single crystals (SCs) were synthesized by using the conventional temperature-lowering crystallization method. When excited by UV light, Cu⁺-doped SCs emitted a broad sky-blue light at 490 nm with a high photoluminescence (PL) quantum yield (PLQY) of 76.48%. Remarkably, under X-ray excitation, these Cu⁺-doped SCs demonstrated an outstanding light yield of 36,293 photons MeV^–1, a relatively low detection threshold of 1.022 μGy_air s^–1, and a rapid scintillation decay time of 465 ns. The prepared translucent scintillation film has good uniformity and flexibility, with a high spatial resolution of 10.2 lp mm^–1. These results position Cu⁺-doped Rb₂AgI₃ as a leading candidate among promising X-ray scintillators, offering superior scintillation light yield, excellent stability, and nontoxicity.

This study describes the synthesis of germanium and tin complexes Ge(mdpaS)₂ (1), Ge(edpaS)₂ (2), Ge(bdpaS)₂ (3), Ge(empaS)₂ (4), Sn(mdpaS)₂ (5), Sn(edpaS)₂ (6), Sn(bdpaS)₂ (7), and Sn(empaS)₂ (8) (mdpaSH = (Z)-N-methoxy-2,2-dimethylpropanimidothioic acid; edpaSH = (Z)-N-ethoxy-2,2-dimethylpropanimidothioic acid; bdpaSH = (Z)-N-(tert-butoxy)-2,2-dimethylpropanimidothioic acid; empaSH = (Z)-N-ethoxy-2-methylpropanimidothioic acid), using newly designed N-alkoxy thioamide ligands as precursors for metal chalcogenide materials. All complexes were characterized using various analytical techniques, and the single-crystal structures of complexes 5 and 7 revealed a distorted seesaw geometry in the monomeric SnL₂ form. Thermogravimetric (TG) curves showed differences between Ge compounds, which exhibited single-step weight losses, and Sn compounds, which exhibited multistep weight losses. As a result, we suggest that the synthesized complexes 1–8 are potential precursors for group IV metal chalcogenide materials.

Organic–inorganic hybrid materials have recently found a vast variety of applications in the fields of energy storage and microelectronics due to their outstanding electric and dielectric characteristics, including high dielectric constant, low conductivity, and low dielectric loss. However, despite the promising properties of these materials, there remains a need to explore novel compounds with improved performance for practical applications. In this research paper, the focus is on addressing this scientific challenge by synthesizing and characterizing the new-centrosymmetric (C₁₂H₁₇N₂)₂[CdBr₄] crystal. This compound offers potential advancements in energy storage technologies and microelectronics due to its unique structural and electronic properties. The chemical mentioned above crystallizes in the monoclinic system, and its protonated amine (C₁₂H₁₇N₂)⁺ and isolated anion [CdBr₄]^2– are bound by C–H···π and N–H···Br hydrogen bonds to form its zero-dimensional structure. Through optical absorption analysis, the semiconductor nature of the material is verified, showcasing a band gap of around 2.9 eV. Furthermore, an in-depth examination of Nyquist plots reveals the material’s electrical characteristics’ sensitivity to frequency and temperature variations. By applying Jonscher’s power law to analyze ac conductivity plots, it is observed that the variation in the exponent “s” accurately characterizes the conduction mechanism, aligning with CBH models. The compound exhibits low dielectric loss values and a high permittivity value (ε ∼ 10⁵), making it a promising candidate for energy storage applications. By managing the scientific challenge of improving material performance for energy storage and microelectronics, this research contributes to advancing the field and opens avenues for further exploration and application of organic–inorganic hybrid materials.

Scientific interest in luminescent solar concentrators (LSCs) has reemerged mainly due to the application of semiconductor quantum dots (QDs) as highly efficient luminophores. Recently, LSCs have become attractive proposals for Building-Integrated photovoltaics (BIPV) since they could help conventional photovoltaics to improve sunlight harvesting and reduce production costs. However, most of the modern LSCs rely on heavy-metal QDs which are highly toxic and may cause environmental concerns. Additionally, their absorption spectra give them a characteristic color limiting their potential application in BIPV. Herein, we fabricated transparent and colorless LSCs by embedding nontoxic and cost-effective zinc oxide quantum dots (ZnO QDs) in a PMMA polymer matrix (ZnO-LSC), preserving the QD optical properties and PMMA transparency. The synthesized colloidal ZnO QDs have an average size of 5.5 nm, a hexagonal wurtzite crystalline structure, a broad yellow photoluminescent signal under ultraviolet excitation, and are highly visibly transparent at the employed concentrations (>95% in wavelengths above 400 nm). The optical characterization of the fabricated ZnO-LSCs showed a good visible transparency of 80.3% average visible transmission (AVT), with an LSC concentration factor (C) of 1.02. An optimal device (ZnO-LSC-O) could reach a C value of 2.66 with the combination of optical properties of colloidal ZnO QDs and PMMA. Finally, simulations of the performance of silicon solar cells coupled to the fabricated and optimal LSCs under standard AM 1.5G illumination were performed employing the software COMSOL Multiphysics. The fabricated ZnO-LSC achieved a simulated maximum power conversion efficiency (PCE) of 3.80%, while the optimal ZnO-LSC-O reached 5.45%. Also, the ZnO-LSC generated a maximum power of 15.02 mW and the ZnO-LSC-O generated 40.33 mW, employing the same active area as the simulated solar cell directly illuminated, which generated 14.39 mW. These results indicate that the ZnO QD-based LSCs may be useful as transparent photovoltaic windows for BIPV applications.

The rupture of atherosclerotic plaques remains one of the leading causes of morbidity and mortality worldwide. The plaques have certain pathological characteristics including a fibrous cap, inflammation, and extensive lipid deposition in a lipid core. Various invasive and noninvasive imaging techniques can interrogate structural aspects of atheroma; however, the composition of the lipid core in coronary atherosclerosis and plaques cannot be accurately detected. Fiber-optic Raman spectroscopy has the capability of in vivo rapid and accurate biomarker detection as an emerging omics technology. Previous studies demonstrated that an intravascular Raman spectroscopic technique may assess and manage the therapeutic and medication strategies intraoperatively. The Raman spectral information identified plaque depositions consisting of lipids, triglycerides, and cholesterol esters as the major components by comparing normal region and early plaque formation region with histology. By focusing on the composition of plaques, we could identify the subgroups of plaques accurately and rapidly by Raman spectroscopy. Collectively, this fiber-optic Raman spectroscopy opens up new opportunities for coronary atherosclerosis and plaque detection, which would assist optimal surgical strategy and instant postoperative decision-making. In this paper, we will review the advancement of label-free fiber-optic Raman probe spectroscopy and its applications of coronary atherosclerosis and atherosclerotic plaque detection.

This study discovered and examined novel triple chelate complexes involving iron, ascorbic acid, and essential amino acids (AsA-Fe-AmA triple chelate complexes) for the first time. The mechanism of complex formation was studied using FTIR spectroscopy and quantum chemical modeling. The produced complexes were shown to be suitable for fortifying food items with a pH of 3–7 that have not been exposed to heat treatment at temperatures over 75 °C for more than 15 min. Thus, it can be said that the concentration for milk fortification should be 0.005 mol/L or less. In vivo experiments in rats models revealed that the synthesized complexes increased serum iron levels after a single application to reference values within 24 h of oral administration. The iron level increased by 14.0 mmol/L at 2 mL dose of the complex. This fact makes it possible to consider the use of developed complexes and developed fermented dairy products for the prevention of iron deficiency and iron deficiency anemia. Research on the effect of discovered compounds on the physicochemical and organoleptic qualities of milk was conducted. Furthermore, iron ascorbate threoninate, iron ascorbate methioninate, iron ascorbate lysinate, and iron ascorbate tryptophanate all had a beneficial effect on Lacticaseibacillus rhamnosus at concentrations as low as 0.0005 mol/L, which is significant for milk fermentation. A study of fermented milk products revealed that the most effective AsA-Fe-AmA triple chelate complex is iron ascorbate lysinate, which might be further investigated as a viable molecule for dietary fortification in iron deficiency anemia. It was found that fortified fermented milk products had a titratable acidity of 67 ± 1°T, pH of 4.38 ± 0.05, and a viscosity of 2018 ± 142 Pa·s.

Although the annual branches of apple trees are substantial, most of them are discarded or incinerated, resulting in a significant waste of resources and environmental pollution concerns. Therefore, it has become necessary and urgent to recycle these branches. Compared with crop straw, apple tree pruning branches exhibit a relatively elevated lignin content, which makes them an optimal feedstock for generating high-quality pyrolysis gases. Energy yield can comprehensively measure the gas production and heat value of the pyrolysis gas. Herein, the effect of reaction conditions on the energy yield of the pyrolysis gas is systematically investigated. The single-factor experimental results show that the optimal conditions are 750 °C reaction temperature, 2 °C/min heating rate, and 120 min holding time. The central composite design test of the response surface establishes that temperature has the most impact, followed by heating rate and holding time. In addition, a regression model is constructed to predict the energy yield of the pyrolysis gas. The analysis of interactions between factors indicates that factors within the lower temperature zones, higher heating rate, and shorter holding time have a more significant influence on the energy yield. These findings provide crucial guidance for the efficient production of pyrolysis gas from apple tree branches.

The cornerstone of eco-friendly and affordable freshwater generation lies in harnessing solar energy for water evaporation. This process involves extracting vapor from liquid water using solar energy. Numerous innovative, low-cost materials have been proposed for this purpose. These materials aim to enable highly controllable and efficient conversion of solar energy into thermal energy while maintaining high cost-effectiveness. Here, in this review paper, we outline the advancements in solar-driven evaporation technology with a focus on optimizing synthesis methods and materials cost. It prioritizes refining evaporation efficiency and affordability using inventive manufacturing methods. By utilizing innovative reasonably priced materials, this process not only ensures efficient resource utilization but also fosters technological advancements in renewable energy applications. Moreover, the affordability of these materials makes solar-powered water evaporation accessible to a wider range of communities, empowering them to address water scarcity challenges.