Effect Of Substitution Research Articles

Excitonic and optoelectronic investigations of bromide-chloride mixed vacancy-ordered double tellurium perovskite systems

Metal-halide perovskites, including vacancy-ordered double perovskites, are versatile semiconductors with applications in photovoltaics and sensors. Here we explore the structural stability, electronic and optical properties of Cs2Te(Br1-xClx)6 series using first-principles-based on density functional theory and state-of-the-art many-body perturbation theory. Our study reveals consistent energy levels across different crystal structures obtained by varying Cl concentrations, indicating uniform structural stability. By employing hybrid density functional theory with spin-orbit coupling, we analyze the effect of Cl-site substitutions on electronic and optical properties. We observe a quasi-linear relationship between band gap and Cl concentration in Cs2Te(Br1-xClx)6 compositions, with alloying resulting in a redshift in the optical absorption coefficient. Moreover, we explore electron-hole interactions using the GW approximation and Bethe−Salpeter equation, revealing exciton binding energies and dark-bright splitting. Remarkably, exciton binding energies, reaching up to 930 meV, can be finely tuned through substitutional engineering. Finally, we investigate the thermoelectric properties of the Br/Cl mixed halide double perovskites, suggesting promising prospects for their application as thermoelectric materials.

The Effect of Red Bean and Red Spinach Flour Substitution on the Organoleptic Properties and Nutritional Value of Fried Meatballs (Basreng)

This study investigates the impact of substituting red bean flour and red spinach flour on the organoleptic properties and nutritional value of fried meatballs (Basreng). Three treatments were tested: P1 (5% red bean flour and 5% red spinach flour), P2 (10% red bean flour and 10% red spinach flour), and P3 (15% red bean flour and 15% red spinach flour). Fifty third-semester nutrition students evaluated taste, texture, aroma, and color using a 5-point hedonic scale. Statistical analysis included normality tests, ANOVA for normally distributed data, and Kruskal-Wallis tests for non-normally distributed data, followed by Duncan or Mann-Whitney tests for significant differences. Results indicated that P1 was most favored in all sensory aspects. Increasing concentrations of red bean and red spinach flours resulted in a stronger taste and aroma of these ingredients, which overshadowed the chicken flavor. P3, though less preferred organoleptically, provided the highest nutritional value with 0.06 mg of iron per slice. This study highlights the balance between sensory acceptance and nutritional enhancement using local ingredients. While P1 is optimal for consumer preference, P3 offers significant nutritional benefits. The findings suggest that red bean and red spinach flours have potential in improving the health benefits of traditional snacks like Basreng

Isotemporal Substitution Effects of Daily Time Use on Cardiorespiratory Fitness of Children in the OptiChild Study: A Mediation Analysis with Diet Quality.

(1) Background: Although daily time-use is associated with diet quality and cardiorespiratory fitness (CRF) in children, their interdependence remains unexplored. This study first examined the associations between reallocating daily movement time and diet quality and CRF, and second the mediating role of diet quality in the relationship between daily time-use and CRF. (2) Methods: This study included 1131 Chinese children (aged 8 to 10 years; median [interquartile range]: 8.5 [8.3, 8.8]) at baseline (September 2022) and 1268 children at the 9-month follow-up (June 2023) from the OptiChild study. Daily durations of moderate-to-vigorous physical activity (MVPA), sleep, and sedentary behavior (e.g., screen time) were self-reported or proxy-reported by parents. Diet quality was assessed via the Diet Quality Questionnaire (DQQ), which uses a 24 h dietary recall and is categorized according to the Global Dietary Recommendations (GDR) score and Food Group Diversity Score (FGDS). The CRF was measured using VO2max after the 20 m shuttle run test. Longitudinal associations between daily time-use, diet quality, and CRF were calculated using isotemporal substitution models. Mediation analyses were used to determine whether diet quality mediated the associations between daily time-use and CRF. (3) Results: Reallocation of 30 min from screen time to MVPA resulted in significant improvements in the GDR score (β baseline = 0.11, p = 0.024; β follow-up = 0.26, p < 0.001), FGDS (β baseline = 0.11, p = 0.006; β follow-up = 0.19, p < 0.001), and CRF (β baseline = 0.40, p < 0.001; β follow-up = 0.26, p = 0.001). Diet quality partially mediated the associations between MVPA, screen time, and CRF. Substituting 30 min of screen time for MVPA led to diet quality mediating a proportion of the association with CRF (GDR score: 11.4%, FGDS: 6.6%). (4) Conclusions: These findings underscore the importance of optimizing daily time-use of MVPA and screen time and improving diet quality to promote physical fitness in school-aged children.

Studi Pembuatan Klepon dengan Subtitusi Tepung Ubi Jalar Ungu dan Penambahan Tepung Kacang Almond sebagai Alternatif Makanan Selingan Penderita Diabetes Melitus

Background: Diabetes mellitus is a metabolic disorder that occurs chronically or chronically because the body does not have enough insulin hormone due to disruption in insulin secretion, insulin hormone that does not work properly or both. Diabetes mellitus is characterized by the appearance of typical symptoms, namely polyphagia, polydyscipsia, and polyuria and some experience weight loss. One of the risk factors for diabetes mellitus is unbalanced intake, where high consumption of fat and sugar can cause obesity and is associated with increased blood glucose. Therefore, appropriate snacks or distractions are needed for people with DM. Klepon with the addition of purple sweet potato flour and almonds can be a new innovation and can be used as an alternative snack for people with diabetes mellitus. Purpose: The purpose of this study was to determine the content of macronutrients and the effect of substitution of sweet potato flour andalmond on the acceptability of klepon's organoleptic quality. Method: Aanalysis used in this study consists of statistical analysis k and power analysis Accept or quality organoleptik. Result: The results showed that there was a significant influence on the nutritional value as well as on the color, taste, aroma and texture of almonds substituted sweet potato flour and almonds. The best treatment is found in P1 treatment cookies. Conclusion: The substitution of sweet potato flour and almonds affects the nutritional value and acceptability of color, taste, aroma, and texture of klepon.

Monomeric Fe(III)-Hydroxo and Fe(III)-Aqua Complexes Display Oxidative Asynchronous Hydrogen Atom Abstraction Reactivity.

This paper presents the synthesis and characterization of a series of novel monomeric aqua-ligated iron(III) complexes, [FeIII(L5R)(OH2)]2+ (R=OMe, H, Cl, NO2), supported by an amide-containing pentadentate N5 donor ligand, L5R [HL5R=2-(((1-methyl-1H-imidazol-2-yl)methyl)(pyridin-2-yl-methyl)amino)-N-(5-R-quinolin-8-yl)acetamide]. The complexes were characterized by various spectroscopic and analytical techniques, including electrochemistry and magnetic measurements. The Fe(III)-hydroxo complexes, [FeIII(L5R)(OH)]1+, were generated in situ by deprotonating the corresponding aqua complexes in a pH ~7 aqueous medium. In another way, adding one equivalent of a base to a methanolic solution of the Fe(III)-aqua complexes also produced the Fe(III)-hydroxo complexes. The study uses linoleic fatty acid as a substrate to explore the hydrogen atom abstraction (HAA) reactivity of both hydroxo and aqua complexes. The investigation highlights the substitution effect of the L5R ligand on reactivity, revealing a higher rate when an electron-withdrawing group is present. Hammett analyses and(or) determination of the asynchronicity factor (η) suggest an oxidative asynchronous concerted proton-electron transfer (CPET) pathway for the HAA reactions. Aqua complexes exhibited a higher asynchronicity in CPET, resulting in higher reaction rates than their hydroxo analogs. Overall, the work provides insights into the beneficial role of a higher imbalance in electron-transfer-proton-transfer (ET-PT) contributions in HAA reactivity.

Limpograss [Hemarthria altissima] Silage and Protein Supplementation as an Alternative Feed Option for Growing Heifers in North Florida.

Limpograss (Hemarthria altissima) is a warm-season perennial grass that has the potential to feed livestock during scarcity periods. This study evaluated the intake, nutrient digestibility, and animal performance of beef heifers fed 'Gibtuck' limpograss silage combined with different levels of a range cube supplementation. Twenty-four heifers (330 ± 16 kg live weight) were submitted to four different treatments with 6 replicates: (1) control, no supplementation + limpograss silage ad libitum; (2) 1.4 kg of supplement + limpograss silage ad libitum; (3) 2.8 kg of supplement + limpograss silage ad libitum; and (4) 4.2 kg of supplement + limpograss silage ad libitum. The apparent total tract digestibility of dry matter, organic matter, and crude protein showed a positive quadratic effect with increasing supplementation levels (p = 0.001, p = 0.002, and p < 0.0001, respectively). Overall, the supplement improved diet digestibility and total DM intake but reduced silage intake, indicating a combined effect (substitutive and additive effect) of the protein supplement. The increasing level of protein supplement increased the average daily gain with a quadratic effect (p ≤ 0.0001). Limpograss silage associated with supplementation can improve diet digestibility and increase the animal performance of growing heifers, providing an alternative for livestock in North Florida.

Biochemical characterization of naturally occurring mutations in SARS-CoV-2 RNA-dependent RNA polymerase.

Since the emergence of SARS-CoV-2, mutations in all subunits of the RNA-dependent RNA polymerase (RdRp) of the virus have been repeatedly reported. Although RdRp represents a primary target for antiviral drugs, experimental studies exploring the phenotypic effect of these mutations have been limited. This study focuses on the phenotypic effects of substitutions in the three RdRp subunits: nsp7, nsp8, and nsp12, selected based on their occurrence rate and potential impact. We employed nano-differential scanning fluorimetry and microscale thermophoresis to examine the impact of these mutations on protein stability and RdRp complex assembly. We observed diverse impacts; notably, a single mutation in nsp8 significantly increased its stability as evidenced by a 13°C increase in melting temperature, whereas certain mutations in nsp7 and nsp8 reduced their binding affinity to nsp12 during RdRp complex formation. Using a fluorometric enzymatic assay, we assessed the overall effect on RNA polymerase activity. We found that most of the examined mutations altered the polymerase activity, often as a direct result of changes in stability or affinity to the other components of the RdRp complex. Intriguingly, a combination of nsp8 A21V and nsp12 P323L mutations resulted in a 50% increase in polymerase activity. To our knowledge, this is the first biochemical study to demonstrate the impact of amino acid mutations across all components constituting the RdRp complex in emerging SARS-CoV-2 subvariants.

Substitutional effects of the anionic group systems [BO33−], [PO43− ], and [SO42−] on the down-conversion photoluminescence properties of Y2O3:Er3+ nanophosphors

A series of Y2O3, Y2O3: Er3+ (1 %) and Y2O3-AG: Er3+ (1 %) (where AG = BO33−, PO43−, and SO42−) nanophosphors were prepared via a chemical combustion technique. The primary X-ray powder diffraction results showed that the Y2O3:Er3+ phosphor materials crystallized into a cubic standard structure, while the Y2O3-AG: Er3+ phosphor materials transformed to hexagonal and tetragonal structures for the [PO43−] and [BO33−]-based phosphors, respectively. However, no changes were observed for the [SO42−]-based phosphor materials. The scanning electron microscope micrographs revealed that the particles were formed in the nanometre range with different sizes and shapes. The fourier-transformed infrared spectra showed the presence of various structural groups in the pure Y2O3 and Y2O3-AG: Er3+ phosphors. In addition to that, the optical bandgap energy values were obtained using the diffuse reflection spectra (DRS) spectra and Kubelka-Munk function theory. Under UV-379 nm excitation for the Y2O3-AG: Er3+ phosphors, the Y2O3–SO4: Er3+ emitted the most intense green light at 563 nm wavelength. The Commission Internationale de l'Elcairage colour coordinates and correlated color temperature values indicated that the Y2O3:Er3+, Y2O3-PO4:Er3+, and Y2O3–SO4:Er3+ phosphor materials are potential candidates for producing enhanced green color components in white light-emitting diode (w-LED) applications.

Towards carbon neutrality: The decoupling effect of industrial restructuring and non-fossil energy substitution on carbon emissions

China's carbon neutrality target requires early carbon decoupling of economic growth. Utilizing the input-output and programming technique, we investigate the carbon mitigation potential of industrial restructuring along with the substitution of non-fossil energy for electric production. Given the constraints of manufacturing stabilization and employment volatility magnitude, this paper finds that industrial restructuring can mitigate carbon emissions by 7.47 %. Besides, non-fossil energy substitution in electric production can strengthen the inhibiting effect, reducing carbon emissions from 7.47 % (currently about 31.5 % for non-fossil power generation) to 28.99 % (about 80 % in the future). This paper also simulates several scenarios for growth rates and estimates the prospective carbon reduction for the fourteenth Five-Year Plan in China. We indicate that the rising share of non-fossil energy is the linchpin to reducing energy-related carbon emissions, which can achieve absolute decoupling if the share of non-fossil energy in power generation reaches 67.1 % under different growth scenarios. This paper argues that carbon-based performance indicators, e.g., carbon intensity and carbon emissions, are more appropriate for local bureaucrats than energy-based ones. We provide valuable implications for the carbon decoupling path.

Investigation of the effect of strontium substitution in bismuth ferrites for enhanced structural and optical properties using experimental and DFT approaches

BiFeO3 doped with Sr, having the composition Bi1-xSrxFeO3 (0.00 ≤ x ≤ 0.20), was synthesized using the auto-combustion method. Various characterization techniques were employed to investigate the structural, morphological, and optical properties. X-ray diffraction (XRD) patterns confirmed that the materials exhibit a distorted rhombohedral structure with the space group R3c. The average crystallite size was determined to be in the range of 18–28 nm. A decrease in the lattice parameters was observed due to the contraction of the unit cell volume (373.83–371.49 Å) caused by Sr doping. Scanning electron microscopy (SEM) images revealed a reduction in grain size, suggesting the suppression of grain growth with Sr doping. Fourier-transform infrared (FTIR) studies identified two strong peaks at 552 cm−1 and 449 cm−1, confirming the perovskite structure of the materials. The optical band gap was found to decrease from 2.14 eV to 2.05 eV with increasing Sr concentration. Theoretical calculations of electronic and optical properties using density functional theory (DFT) were conducted. The calculated direct optical band gaps (2.0 eV, 2.22 eV, 2.1 eV, and 2.09 eV) for Bi1-xSrxFeO3 samples at doping levels x = 0.0, 0.10, 0.15, and 0.20, respectively, were in good agreement with the experimental results. These findings provide valuable insights into the tunability of electronic and optical properties in Sr-doped BiFeO3, making them promising candidates for various technological applications.

Bioinformatics Study on Site-Specific Variations of Eotaxin-3, a Key Chemokine in Eosinophilic Esophagitis (EoE).

Eotaxin-3 is a key chemokine with a relevant role in eosinophilic esophagitis, a rare chronic immune/antigen-mediated inflammatory disorder. Eotaxin-3 is a potent activator of eosinophil emergence and migration, which may lead to allergic airway inflammation. We investigated, using bioinformatics tools, the protein structure and the possible effects of the known variations reported in public databases. Following a procedure already established, we created a 3D model of the whole protein and modeled the structure of 105 protein variants due to known point mutations. The effects of the amino acid substitution at the level of impact on protein structure, stability, and possibly function were detected by the bioinformatics procedure and described in detail. A web application was implemented to browse the results of the analysis and visualize the 3D models, with the opportunity of downloading the models and analyzing them using their own software. Among 105 amino acid substitutions investigated, the study evidenced in 44 cases at least one change in any of the investigated structural parameters. Other six variations are also relevant, although a structural effect was not detected by our analysis, because they affected amino acids highly conserved, which suggests a possible function role. All these variations should be the object of particular attention, as they may induce a loss of functionality in the protein.

Effects of element specific Co substitution in Ni-Mn-Ga-Fe and accelerated grain growth during heat treatment

The substitution of small amounts of Co and Fe into Ni-Mn-Ga-based ferromagnetic shape memory alloys (FSMAs) is widely recognized for its ability to finely tune their multifunctional properties. This study investigated the effects of the substitution of each of the parent elements, in amounts of Co = 1, 3, and 5 (at.%), on the crystalline structure transformation temperature, microstructure, and magnetic properties of the nominal alloy Ni50Mn25Ga20Fe5. An induction melting technique was used to fabricate a series of 10 alloys with and without Co-substitution. In addition to determining the evolution of its magnetic and structural characteristics, Co-doping has been found to have an unexpected and beneficial effect on the grain microstructure. The findings of the study revealed that the Ni49Co1Mn25Ga20Fe5 alloy exhibited significant grain growth while demonstrating the mixed 10 M + 14 M martensitic crystal structure at ambient temperature. Separating an oriented grain of 1 × 2 mm enabled the experimental demonstration of magnetic field-induced structural rearrangement through twin-domain motion. Varying the levels of Co-substitution and the specific element being substituted allows tuning between the stabilisation of cubic austenite, modulated martensites (10 M or 14 M), or a non-modulated martensite at ambient temperature. Using standard melting facilities to fabricate large grains of polycrystalline ingots with 10 M + 14 M Co-doped Ni-Mn-Ga-Fe actuating elements offers a practical advantage over growing single crystals.

Regulating the electronic and crystal structure of Na3V2(PO4)3 by pillar ionic substitution and p-type doping effects

Currently, low intrinsic conductivity seriously affects the development and large-scale application of Na3V2(PO4)3 (NVP). Herein, the binary K+/Mn2+ co-substituted Na2.96+xK0.04 V2-xMnx(PO4)3 (x = 0.005, 0, 0.01, 0.04) with enwrapped carbon nanotubes (CNTs) are synthesised. The incorporation of CNTs can form an effective conductive framework and provide more conductive paths, thus reducing the resistance of electron and ion migration thereby increasing the overall conductivity. Notably, replacing Na+ by pillar ion K+ with a larger radius can effectively strengthen the crystal structure of NVP, thus increasing the cycling stability of the battery. Besides, due to the differences in atomic radius and electronic structure between Mn2+ and V3+, this substitution can change the local environment of Na+ in the crystal, thus affecting its migration behaviour. Because of the larger ionic radius of Mn2+, it helps to increase the inter-facial distance in the crystal structure, which is favourable to promote the migration of Na+. Meanwhile, divalent Mn2+ occupying V3+ site can generate p-type doping effects, which introduces more hole carriers, thus increasing the intrinsic conductivity of the material. Accordingly, the optimized NVP/C@KMn0.01 achieves a capacity of 106.4 mAh g−1 at 1C, and maintains 98.1 mAh g−1 with a retention rate of 92.19 % after 230 cycles. At 15C, it reveals 106.1 mAh g−1 and keeps 82.5 mAh g−1 after 5800 cycles, corresponding to a capacity retention of 77.76 %. Furthermore, NVP/C@KMn0.01//CHC full cell delivers a high value of 155.0 mAh g−1 and enables to lighten the LED bulbs, indicating its excellent practical application prospects. The improved crystal structure of NVP/C@KMn0.01 is further verified by post-cycled XRD/SEM/XPS measurements.

Effect of substitution of aluminium and neodymium on structural and magnetic properties of yttrium iron garnet studied using 57Fe internal field NMR

The structural and magnetic properties of non-magnetic aluminium and magnetic neodymium substituted yttrium iron garnet samples (Y3-xAlxFe5O12 and Y3-nNdnFe5O12) were investigated. Powder samples were synthesized using auto combustion route. The Rietveld refinement analysis of the samples confirmed the presence of the garnet phase and showed presence of minimal impurity phases, specifically perovskite and hematite. Substitution on Y3Fe5O12 with Al resulted in a linear decrease in saturation magnetization, while Nd substitution showed a non-linear change. In accordance with this the Internal Field Nuclear Magnetic Resonance (IFNMR) spectrum exhibited a downward shift in peak frequency when Al was substituted, and a significant reduction in intensity with Nd substitution in yttrium iron garnet samples. Aluminium ions take up either tetrahedral or octahedral positions in the lattice, apart from the dodecahedral site, because of their smaller ionic radii. This causes a decrease in the hyperfine field that originates from Fe3+ ions in tetrahedral and octahedral sites. On the other hand, neodymium ions occupy dodecahedral sites and are expected not to affect Fe ions. Concurrently, an observable peak shift was not observed in the IFNMR spectrum for Nd substitution. However, Nd substitution introduced strain in the lattice due to their larger ionic radii compared to yttrium, which they replace. This strain causes disorder in tetrahedral and octahedral sites and affects 57Fe signal intensity. The magnetic properties observed from VSM analysis is also interpreted in view of observed changes in the 57Fe IFNMR spectrum. X-ray Photoelectron spectroscopy (XPS) was employed mainly to explore spin orbit splitting of Fe 2p state in the samples.

Substitutive effects of accounting transparency and corporate governance on firm value

Recently, there has been increasing emphasis on the importance of accounting transparency and corporate governance. While previous studies have individually examined their impact on firm values, this paper investigates their combined effects. Using data from the Compustat and Center for Research in Security Prices databases obtained through Wharton Research Data Services, we measure accounting transparency and company value, and we employ the E-index as a measure of corporate governance. This study conducts firm, year, and industry fixed effects regressions on a large panel dataset comprising 21,476 firm-year observations. According to our research, both accounting transparency and good corporate governance have negative effects on the value of a company. This means that spending money to improve both may end up costing more than it benefits, which could lower the value of the company. These results support the notion that investors may see that maintaining high levels of accounting transparency and corporate governance can be excessively costly, while an overemphasis on these two metrics could potentially limit the flexibility and creativity of management. These findings have implications for managers tasked with achieving a balance between robust corporate governance, enhanced accounting transparency, and corporate value considerations.

Analysis of the effects of Pr1-xCexCoO3/dolomite catalyst on energy saving and carbon reduction in biomass gasification for the production of hydrogen-rich syngas

Biomass is considered a renewable green coal, and its clean and efficient utilization is of great significance for energy conservation and carbon reduction. One of the most critical aspects of biomass gasification is the selection of an appropriate catalyst. In this study, we synthesized a catalyst with 10 % Pr1-xCexCoO3 supported on dolomite using the sol-gel method. We conducted graded internal circulation gasification experiments to produce hydrogen-rich syngas. The effects of element substitution in PrCoO3, temperature, catalyst composition, and steam injection rate on the products were investigated. The optimal gasification conditions were determined through response surface regression analysis. The data indicate that this catalyst can improve gasification efficiency, with Pr0.4Ce0.6CoO3/Dol showing the best catalytic performance. It effectively reduces the required gasification temperature and steam amount, decreases CO2 production, and increases CO and H2 yields. The catalyst accelerates the cleavage and ring-opening reactions of hydrocarbons, leading to terminal chain hydroxylation, followed by the dehydration-condensation of methyl groups into ethers. As the temperature rises, the rate of carboxyl group removal gradually exceeds the rate of carboxyl group formation via the oxidation of hydroxyl and ether chains, resulting in an initial increase and then a decrease in the number of carboxyl groups. Under optimal gasification conditions, CO2 production is reduced by one-fourth compared to using a dolomite catalyst.

(Invited) An Unsymmetrical 5,15-Disubstituted Tetrabenzoporphyrin: Effect of Molecular Symmetry on the Packing Structure and Charge Transporting Property

One of the key issues in the development of organic field-effect transistor (OFET) materials is the improvement of charge mobility. Since charge mobility depends on intermolecular interactions in solid state, it is important to control the crystal structure. In the current mainstream OFET materials, such as acenes and heteroacenes, which have one-dimensionally (1D) extended polycyclic aromatic frameworks, the effect of substitution on the crystal structure has been intensively studied. On the other hand, some bulky (trialkylsilyl)ethynyl-substituted derivatives such as 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene) have been known to afford brickwork packing. In comparison, two-dimensionally (2D) extended π-conjugated molecules tend to form a sandwich herringbone, a co-facial herringbone, and a 1D columnar structure, due to their enhanced π−π interaction. The molecular design strategy to control the crystal structure of two-dimensional (2D) π-extended organic semi-conductors has not been intensively explored.We synthesized an unsymmetric tetrabenzoporphyrin derivative (TIPS-Ph-BP) to demonstrate the effect of molecular symmetry on crystal packing.1 An unsymmetric structure would make 2D π-stacking more stable than a one-dimensional (1D) columnar structure to counteract steric and electronic imbalance in the crystal. TIPS-Ph-BP formed an antiparallel slipped π-stacking and 2D herringbone-like structure as expected, but, it formed a dimeric herringbone packing consisting of slipped π-stacking in an antiparallel manner in the crystal. OFETs using TIPS-Ph-BP achieved the maximum hole mobility of 0.71 cm2 V-1 s-1 due to the partially 2D packing structure.Although TIPS-Ph-BP gave dimeric herringbone packing, this strategy could be used to control the crystal structures of various 2D extended π-conjugated systems. Further modification of the porphyrin substituents is ongoing. Reference K. Miyazaki, K. Matsuo, H. Hayashi, M. Yamauchi, N. Aratani, H. Yamada, Org. Lett. 2023, 25, 7354-7358

Food Tax Substitution Effects

Diet-related illness in the U.S. has risen to crisis levels, with today’s parents projected—for the first time—to enjoy longer lives than their children. Policymakers have responded with a range of novel proposals, many revolving around the assumption that increasing the relative price of unhealthful foods via taxes on soda, fat, sugar or caloric density will encourage more healthful eating. Yet there is little evidence that diet-targeted price interventions have had a meaningful impact on health outcomes. The reason for this, I argue, is both expected and largely overlooked in the academic and policy literatures: consumers have been motivated by price interventions to eat differently, but differently isn’t necessarily better. Price interventions created and crafted solely on the basis of the nutritional value of the targeted dietary item(s) are vulnerable to health-neutral substitution effects, wherein a price intervention motivates consumers to substitute items of similar dietary value—candy or beer for soda, for example—leading to little net change in overall dietary quality. This Article proposes a novel food tax strategy, one that focuses on substitution effects. Instead of targeting foods with the least or most nutritional value, legislators and other policymakers should direct taxes to foods with the least or most relatively healthful substitutes. As proof of concept, this Article introduces a specific substitution-based food tax proposal, supported with empirical results from an original randomized controlled trial: food taxes should seek to motivate substitution between grocery food and the relatively less healthful option of restaurant food. The health impact of such a shift will likely exceed that of a direct tax on soda, fat, sugar or calories given the high cross-elasticity of demand for restaurant food and its significant health inferiority. And because this shift may be accomplished by subsidizing groceries, by lowering taxes on groceries or by increasing taxes on restaurants, it presents a more politically flexible intervention than traditional consumer-side food taxes.

Effect of Ca, Ba, Be, Mg, and Sr Substitution on Electronic and Optical Properties of XNb2Bi2O9 for Energy Conversion Application Using Generalized Gradient Approximation–Perdew–Burke–Ernzerhof

Bismuth layered structure ferroelectrics (BLSFs), also known as Aurivillius phase materials, are ideal for energy-efficient applications, particularly for solar cells. This work reports the first comprehensive detailed theoretical study on the fascinating structural, electronic, and optical properties of XNb2Bi2O9 (X = Ca, Ba, Be, Mg, Sr). The Perdew–Burke–Ernzerhof approach and generalized gradient approximation (GGA) are implemented to thoroughly investigate the structural, bandgap, optical, and electronic properties of the compounds. The optical conductivity, band topologies, dielectric function, bandgap values, absorption coefficient, reflectivity, extinction coefficient, refractive index, and partial and total densities of states are thoroughly investigated from a photovoltaics standpoint. The material exhibits distinct behaviors, including significant optical anisotropy and an elevated absorption coefficient &gt; 105 cm−1 in the region of visible; ultraviolet energy is observed, the elevated transparency lies in the visible and infrared regions for the imaginary portion of the dielectric function, and peaks in the optical spectra caused by inter-band transitions are detected. According to the data reported, it becomes obvious that XNb2Bi2O9 (X = Ca, Ba, Be, Mg, and Sr) is a suitable candidate for implementation in solar energy conversion applications.

Improved Electrochemical Performance of NASICON Type Na3V2-xCox(PO4)3/C (x = 0-0.15) Cathode for High Rate and Stable Sodium-Ion Batteries.

In recent years, the Na-ion SuperIonic CONductor (NASICON) based polyanionics are considered pertinent cathode materials in sodium-ion batteries due to their 3D open framework, which can accommodate a wide range of Na content and can offer high ionic conductivity with great structural stability. However, owing to the inferior electronic conductivity, these materials suffer from unappealing rate capability and cyclic stability for practical applications. Therefore, in this work we investigate the effect of Co substitution at the V site on the electrochemical performance and diffusion kinetics of Na3V2-xCox(PO4)3/C (x = 0-0.15) cathodes. All the samples are characterized through Rietveld refinement of the X-ray diffraction patterns, Raman spectroscopy, transmission electron microscopy, etc. We demonstrate improved electrochemical performance for the x = 0.05 electrode with a reversible capacity of 105 mAh g-1 at 0.1 C. Interestingly, the specific capacity of 80 mAh g-1 is achieved at 10 C with retention of about 92% after 500 cycles and 79.5% after 1500 cycles and having nearly 100% Coulombic efficiency. The extracted diffusion coefficient values through the galvanostatic intermittent titration technique and cyclic voltammetry are found to be in the range of 10-9 to 10-11 cm2 s-1. The post-mortem studies show excellent structural and morphological stability after testing for 500 cycles at 10 C. Our study reveals the role of optimal dopant of Co3+ ions at the V site in improving the cyclic stability at a high current rate.