Search Results (99)

This study presents colorless polyimides (PIs) suitable for use as plastic substrates in flexible displays, designed to be compatible with controlled soft adhesion and easy delamination (temporary adhesion) processes. For this purpose, we focused on a PI system derived from norbornane-2-spiro-α-cyclopentanone-α′-spiro-2″-norbornane-5,5″,6,6″-tetracarboxylic dianhydride (CpODA) and 2,2′-bis(trifluoromethyl)benzidine (TFMB). This system was selected with the aim of exhibiting excellent optical transparency and low linear coefficient of thermal expansion (CTE) properties. However, fabricating this PI film via the conventional two-step process was challenging because of crack formation. In contrast, modified one-pot polymerization at 200 °C using a combined catalyst resulted in a homogeneous solution of PI with an exceptionally high molecular weight, yielding a flexible cast film. The solubility of PI plays a crucial role in its success. This study delves into the mechanism behind the significant catalytic effect on enhancing molecular weight. The CpODA/TFMB PI cast film simultaneously achieved very high optical transparency, an extremely high glass transition temperature (T_g = 411 °C), a significantly low linear coefficient of thermal expansion (CTE = 16.7 ppm/K), and sufficient film toughness, despite the trade-off between low CTE and high film toughness. The CpODA/TFMB system was modified by copolymerization with minor contents of another cycloaliphatic tetracarboxylic dianhydride, 5,5′-(1,4-phenylene)-exo-bis(hexahydro-4,7-methanoisobenzofuran-cis-exo-1,3-dione) (BzDAxx). This approach was effective in improving the film toughness without sacrificing the low CTE and other target properties. The peel strengths (σ_peel) of laminates comprising surface-modified glass substrates and various colorless PI films were measured to evaluate the compatibility with the temporary adhesion process. Most colorless PI films studied were found to be incompatible. Additionally, no correlation between σ_peel and PI structure was observed, making it challenging to identify the structural factors influencing σ_peel control. Surprisingly, a strong correlation was observed between σ_peel and CTE of the PI films, suggesting that the observed solid–solid lamination is closely linked to the unexpectedly high surface mobility of the PI films. The laminate using CpODA(90);BzDAxx(10)/TFMB copolymer exhibited suitable adhesion strength for the temporary adhesion process, while meeting other target properties. The modified one-pot polymerization method significantly contributed to the development of colorless PIs suitable for plastic substrates. Full article

Heusler compounds and alloys constitute a burgeoning class of materials with exceptional properties, holding immense promise for advanced technologies. Electronic band structure calculations are instrumental in driving research in this field. Nowotny–Juza compounds are similar to Semi-Heusler compounds containing one instead of two transition metal atoms in their chemical formula. Recently, they have been widely referred to as “$p^0$-d or $d^0$-d Semi-Heusler compounds”. Building upon our previous studies on $p^0$-d or $d^0$-d Semi-Heusler compounds featuring Li or K, we now explore a new class of $d^0$-d compounds incorporating alkaline earth metals and more specifically Mg which is well-known to occupy all possible sites in Heusler compounds. These compounds, with the general formula MgZ(Ga, Ge, or As), where Z is a transition metal, are investigated for their structural, electronic, and magnetic properties, specifically within the context of the three possible $C{1}_{\mathrm{b}}$ structures including also the effect of tetragonalization which is shown not to affect the equilibrium cubic type. Our findings demonstrate that a significant number of these compounds exhibit magnetic behavior, with several displaying half-metallicity, making them highly attractive for spintronic applications. This research provides a crucial foundation for future experimental investigations into these promising materials. Full article

Cortisol is a key biomarker for stress detection, and its levels can be monitored using point-of-care devices with sensors such as nanoparticles and interdigitated array electrodes (IDEs). This study developed an IDE platform using barium titanate (BaTiO₃) particles synthesized via colloidal precipitation with titanium tetraisopropoxide, barium chloride, and Pluronic^® P123. The calcination temperatures varied between 160 °C and 340 °C, with optimal results observed at 160 °C. Scanning electron microscopy revealed particles with an average size of 26 nm, and Fourier transform infrared spectroscopy confirmed the molecular composition after the removal of P123. X-ray diffraction analysis revealed anatase and brookite phases. Brunauer-Emmett-Teller analysis indicated changes in pore morphology, with samples treated at 160 °C exhibiting a type IV(a) mesoporous structure, a surface area of 163 m²/g, and an average pore diameter of 5.24 nm. Higher temperatures led to transitions to type IV(b) at 260 °C and type V at 340 °C, with reduced pore size. Electrochemical impedance spectroscopy was employed to evaluate the performance of the IDE sensor integrated with BaTiO₃ nanoparticles and albumin across cortisol concentrations ranging from 5.0 to 20 ng/mL. Impedance measurements revealed a significant decrease in impedance (Z′) with increasing cortisol concentrations, indicating increased conductivity. Specifically, Nyquist plots for a saliva sample containing 5 ng/mL cortisol—within the typical physiological range—exhibited a marked increase in charge-transfer resistance (Rct), confirming the sensor’s ability to detect low hormone levels in biological fluids. These findings underscore the potential of BaTiO₃-based IDE platforms at 160 °C for stress biomarker monitoring. Full article

A new complex, tetrakis(1,10-phenanthroline)-bis(succinate)-(µ₂-oxo)-bis(iron(III)) nonahydrate, [Fe₂(Phen)₄(Succinate)₂(μ-O)](H₂O)₉, was synthesized using the slow evaporation method. This study provides a comprehensive characterization of this coordination compound, focusing on its structural, spectroscopic, and thermal properties, which are relevant for applications in catalysis, material science, and chemical engineering processes. Single-crystal X-ray diffraction (XRD), Raman spectroscopy, Fourier-transform infrared (FT-IR), ultraviolet-visible (UV-Vis) spectroscopy, and thermoanalytical analyses were employed to investigate the material properties. Intermolecular interactions were further explored through Hirshfeld surface analysis. XRD results revealed a monoclinic crystal system with the C2/c space group, lattice parameters: a = 12.7772(10) Å, b = 23.0786(15) Å, c = 18.9982(13) Å, β = 93.047(2)°, V = 5594.27(7) ų, and four formulas per unit cell (Z = 4). The crystal packing is stabilized by C–H⋯O, C–O⋯H, C–H⋯π, and π⋯π intermolecular interactions, as confirmed by vibrational spectroscopy. The heteroleptic coordination environment, combining weak- and strong-field ligands, results in a low-spin state with an estimated crystal field stabilization energy of −4.73 eV. Electronic properties indicate direct allowed transitions (γ = 2) with a maximum optical band gap of 2.66 eV, suggesting potential applications in optoelectronics and photochemical processes. Thermal analysis demonstrated good stability within the 25–136 °C range, with three main stages of thermal decomposition, highlighting its potential for use in high-temperature processes. These findings contribute to the understanding of Fe(III)-based complexes and their prospects in advanced material design, catalytic systems, and process optimization. Full article

In the transitional region between agriculture and livestock rearing in northern China, planting forage crops in rows among fruit trees as feed in orchards represents an effective strategy for enhancing the ecological environment while addressing the increasing demand for livestock feed. Nonetheless, the impact of short-term mowing of cover forage crops for livestock feed on the quality of soil remains unclear. A two-year field experiment was conducted in Ziziphus jujuba cv. “Lingwuchangzao” orchards located in Lingwu County, Ningxia Hui Autonomous Region, in arid and semi-arid Northwest China. The experiment consisted of four treatments: (A) clean tillage (CK), (B) plantation with Lolium perenne (LP), (C) plantation with Trifolium repens (TR), and (D) plantation with Vicia villosa (VV).The results showed that short-term intercropping of forage crops may lead to a reduction in most soil nutrients in Z. jujuba cv. “Lingwuchangzao” orchards, particularly in the 0–20 cm soil layer. However, intercropping with TR can mitigate this declining trend and may even enhance nutrient levels within the 0–40 cm depth. Furthermore, intercropping of forage crops had a more pronounced effect on the α-diversity of fungal communities than on bacterial communities. This practice also altered the relative abundance of bacterial genera such as Sphingomonas, Bacillus, and Flavobacterium in the 20–40 cm depth and dominant fungal genera Fusarium and Mortierella in the 0–20 cm soil layer. The effects of soil physicochemical properties on bacterial communities were more significant than those on fungal communities.These results indicate that the short-term intercropping of forage crops in Z. jujuba cv. “Lingwuchangzao” orchards in arid and semi-arid Northwest China have varying impacts depending on the type of forage crop used. Full article

N-(3-hydroxyphenyl)-3-methoxybenzamide was synthesised by amide coupling. After crystallisation, single-crystal X-ray diffraction revealed two distinct polymorphs of the compound: one in the orthorhombic space group Pna2₁ with one molecule in the asymmetric unit (Z′ = 1) and a second in the triclinic space group P-1 with two molecules in the asymmetric unit (Z′ = 2). A comparison of the structures reveals that the differences between the two can be attributed to conformational variations, disorder, and the dimensionality of the hydrogen bonding networks, with one forming a three-dimensional net and the other forming layers that exhibit approximate p2₁/b11 layer group symmetry. Molecular dynamics simulations and well-tempered metadynamics-enhanced sampling calculations provide insight into the transition of one polymorph into the other at room temperature. The efficiency of the crystal packing is assessed by a comparison of the densities and melting points of the two structures. Full article

All-d metallic Heusler compounds are promising materials for nanoelectronic applications. Such materials combining 3d, 4d, and 5d atoms have not yet been studied. In this respect, we perform ab initio electronic structure calculations and focus on ${\mathrm{Co}}_2$MnZ, ${\mathrm{Rh}}_2$MnZ, and ${\mathrm{Ru}}_2$MnZ compounds, where Z represents transition metal atoms from groups 3B, 4B, 5B, and 6B of the periodic table. Our results demonstrate that most of these compounds exhibit a distinctive region of very low minority-spin state density at the Fermi level when crystallized in the $L{2}_1$ lattice structure. The Co-based compounds follow a Slater–Pauling behavior for their total spin magnetic moments, while the Ru-based compounds consistently deviate from the predicted Slater–Pauling values. Rh-based compounds show similarities to Co-based compounds for lighter Z atoms and to Ru-based compounds for heavier Z atoms. We find that the choice of the Z element within the same periodic table column has only a minor effect on the results, except for the ${\mathrm{Rh}}_2$Mn(Cr, Mo, W) compounds. Our findings suggest that these compounds hold significant promise for applications in spintronics and magnetoelectronics. Full article

Heusler compounds and alloys represent a rapidly expanding family of materials that exhibit novel properties of significant interest for advanced technological applications. Electronic band structure calculations play a pivotal role in advancing research in this area. In an earlier study, we explored the properties of a new class of Heusler compounds based on Li, referred to as “$p^0$-d semi-Heusler Compounds”. In this study, we take the research a step further by focusing on “$d^0$-d semi-Heusler Compounds”, with the chemical formula KZ(Ga, Ge, As, or Se), where Z represents a transition metal. Our investigation centers on the structural, electronic, and magnetic properties of these compounds, particularly in relation to the three possible $C{1}_{\mathrm{b}}$ structures. Most of these compounds are found to be magnetic and, notably, several among them exhibit half-metallicity making them appealing for applications in spintronics. Our findings provide a foundation for future experimental research on these materials. Full article

The color of coffee fruits is influenced by several factors, including cultivar, ripening stage, and metabolite composition. However, the metabolic accumulation of pigments and the molecular mechanisms underlying peel coloration during the ripening process of Coffea arabica L. remain relatively understudied. In this study, UPLC-MS/MS-based metabolomics and RNA sequencing (RNA-seq)-based transcriptomics were integrated to investigate the accumulation of anthocyanins and carotenoids in the peel of Coffea arabica at different ripening stages: green peel (GP), green-yellow peel (GYRP), red peel (RP), and red-purple peel (RPP). This integration aimed at elucidating the molecular mechanisms associated with these changes. A total of ten anthocyanins, six carotenoids, and thirty-five xanthophylls were identified throughout the ripening process. The results demonstrated a gradual decrease in the total carotenoid content in the peel with fruit maturation, while anthocyanin content increased significantly. Notably, the accumulation of specific anthocyanins was closely associated with the transition of peel colors from green to red. Integrated metabolomics and transcriptomics analyses identified the GYRP stage as critical for this color transition. A weighted gene co-expression network analysis (WGCNA) revealed that enzyme-coding genes such as 3AT, BZ1, and lcyE, along with transcription factors including MYB, NAC, and bHLH, which interact with PHD and SET TR, may regulate the biosynthesis of anthocyanins and carotenoids, thereby influencing peel pigmentation. These findings provide valuable insights into the molecular mechanisms underlying the accumulation of anthocyanins and carotenoids in Coffea arabica peel during fruit maturation. Full article

Single crystals of the new modification of copper pyrovanadate, δ-Cu₂V₂O₇, were prepared using the chemical vapor transport reaction method. The crystal structure (monoclinic, P2₁/n, a = 5.0679(3), b = 11.4222(7), c = 9.4462(6) Å, β = 97.100(6)°, V = 542.61(6) ų, Z = 4) was solved by direct methods and refined to R₁ = 0.029 for 1818 independent observed reflections. The crystal structure contains two Cu sites: the Cu1 site in [4 + 2]-octahedral coordination and the Cu2 site in [4 + 1]-tetragonal pyramidal coordination. There are two V⁵⁺ sites, both tetrahedrally coordinated by O atoms. Two adjacent V1O₄ and V2O₄ tetrahedra share the O4 atom to form a V₂O₇ dimer. The crystal structure of δ-Cu₂V₂O₇ can be described as based upon layers of V₂O₇ dimers of tetrahedra parallel to the (001) plane and interlined by chains of the edge-sharing Cu1O₆ and Cu2O₅ polyhedra running parallel to the a axis and arranged in the layers parallel to the (001) plane. The crystal chemical analysis of the three other known Cu₂V₂O₇ polymorphs indicates that, by analogy with δ-Cu₂V₂O₇, they are based upon layers of V₂O₇ groups interlinked by layers consisting of chains of CuO_n coordination polyhedra (n = 5, 6). The crystal structures of the Cu₂V₂O₇ polymorphs can be classified according to the mutual relations between the Cu-O chains, on the one hand, and the V₂O₇ groups, on the other hand. The analysis of the literature data and physical density values suggests that, at ambient pressure, α- and β-Cu₂V₂O₇ are the low- and high-temperature polymorphs, respectively, with the phase transition point at 706–710 °C. The β-phase (ziesite) may form metastably under temperatures below 560 °C and, under heating, transform into the stable α-phase (blossite) at 605 °C. The δ- and γ-polymorphs have the highest densities and most probably are the high-pressure phases. The structural complexity relations among the polymorphs correspond to the sequence α = β < γ < δ; i.e., the δ phase described herein possesses the highest complexity, which supports the hypothesis about its stability under high-pressure conditions. Full article

A highly accurate, precise, and simple liquid chromatography-tandem mass spectrometry (LC–MS/MS) method for ketotifen (KTF) estimation from Beagle dog plasma was developed and validated, with ketotifen-d3 (KTF-d3) as the internal standard (IS). KTF and IS were detected on an API 4000 mass spectrometer in multiple reaction monitoring (MRM) mode in electrospray ionization (ESI) positive ionization mode. The transitions were monitored at m/z 310.2 → 96.0 for KTF and m/z 313.2 → 99.1 for IS. KTF and IS were extracted from plasma using liquid-liquid extraction with methyl tertiary-butyl ether and then analyzed for 3 min with extracted samples (7 µL) into the LC–MS/MS system. Analytes were separated on a Luna^® Hilic column (50 × 2.0 mm i.d., 3 μm) using the Nexera X2 HPLC. The mobile phase A consisted of 10 mmol/L ammonium formate (pH 3.0), while mobile phase B consisted of 0.05% formic acid in acetonitrile. The ratio of mobile phase was 5:95 (v/v) at a flow rate of 0.2 mL/min. The method has been thoroughly validated in accordance with the bioanalytical method validation guidelines established by the Ministry of Food and Drug Safety in Korea and the U.S. Food and Drug Administration, addressing selectivity, lower limit of quantification, linearity, carryover, precision, accuracy, recovery, matrix effect, and stability. The developed LC–MS/MS method was effectively utilized for the bioequivalence assessment of ketotifen in Beagle dog plasma following the oral administration of ketotifen syrup. Full article

Limited or absent activity of the enzyme α-galactosidase A (α-Gal A), due to mutation in the related gene on the X chromosome, leads to the development of a rare hereditary and genetic disease known as Fabry disease (FD). This pathology involves a progressive accumulation in various organs of the substrates of the enzyme e.g., globotriaosylceramide (Gb3) and its deacylated form, globotriaosylsphingosine (Lyso-Gb3), suggesting these molecules as biomarkers of Fabry disease. The present paper describes the development of an analytical strategy for the identification and quantification of Gb3 and Lyso-Gb3, in serum and blood samples by using liquid chromatography (LC) coupled to mass spectrometry in multiple reaction monitoring (MRM/MS) ion mode. The best experimental conditions were obtained by extracting the glycolipids with chloroform/methanol/H₂O (2/1/0.3) and by separating them on a C4 column with a linear gradient (A: H₂O with 2 mM ammonium formate. B: methanol with 1 mM ammonium formate, both acidified with 0.2% formic acid). The best transitions (a combination of precursor and fragment ions—m/z) were 786.8 m/z > 268.3 m/z for Lyso-GB3, 1137.3 m/z > 264.3 m/z for Gb3, 1039.3 m/z > 264.4 m/z for N-heptadecanoyl-ceramide trihexoside, and 843.5 m/z > 264.3 m/z for N-glycinated lyso-ceramide trihexoside, the latter being used as an internal standard. The developed method provided a reliable, fast, and effective procedure for direct measurements of GB3 and Lyso-GB3 in serum and blood for diagnosis of Fabry disease, suggesting this method as a complementary assay to the current enzymatic test. Therefore, this approach could open new insights into the clinical diagnostics of lysosomal storage disorders. Full article

We present our results on two Z Cam stars: Z Cam and AT Cnc. We apply observational data for the periods that cover the states of outbursts and standstills, which are typical for this type of object. We report an appearance of periodic oscillations in brightness during the standstill in AT Cnc, with small-amplitude variations of 0.03–0.04 mag and periodicity of ≈20–30 min. Based on the estimated dereddened color index (B − V)₀, we calculate the color temperature for both states of the two objects. During the transition from the outburst to the standstill state, Z Cam varies from bluer to redder, while AT Cnc stays redder in both states. We calculate some of the stars’ parameters as the radii of the primary and secondary components and the orbital separation for both objects. We construct the profiles of the effective temperature in the discs of the two objects. Comparing the parameters of both systems, we see that Z Cam is definitely the hotter object and we conclude that it has a more active accretion disc. Full article

Methane, a potent greenhouse gas, represents both a challenge and an opportunity in the quest for sustainable energy. This work investigates the biotechnology for converting methane into clean, renewable hydrogen. The co-culture of Chlorella sacchrarophila FACHB 4 and Methylomonas sp. HYX-M1 was demonstrated to completely convert 1 mmol of methane to biomass within 96 h. After acid digestion of such biomass, up to 45.05 μmol of glucose, 4.07 μmol of xylose, and 26.5 μmol of lactic acid were obtained. Both Clostridium pasteurianum DSM525 and Clostridium sp. BZ-1 can utilize those sugars to produce hydrogen without any additional organic carbon sources. The higher light intensity in methane oxidation co-culture systems resulted in higher hydrogen production, with the BZ-1 strain producing up to 14.00 μmol of hydrogen, 8.19 μmol of lactate, and 6.09 μmol of butyrate from the co-culture biomass obtained at 12,000 lux. The results demonstrate that the co-culture biomass of microalgae and methanotroph has the potential to serve as a feedstock for dark fermentative hydrogen production. Our study highlights the complexities inherent in achieving efficient and complete methane-to-hydrogen conversion, positioning this biological approach as a pivotal yet demanding area of research for combating climate change and propelling the global energy transition. Full article

Butyric acid is attributed to gastrointestinal epithelial development and health and two studies were conducted to determine if supplementing encapsulated butyric acid and zinc (BZ) in lambs abruptly transitioned to a finishing diet has effects on growth performance, efficiency of dietary net energy utilization, rumen morphometrics, small intestinal histology, and carcass traits. Polypay wethers (n = 84; initial shrunk body weight = 38.8 kg ± 4.8 kg) were used in a randomized complete block design study. Wethers were abruptly transitioned from a high roughage-based diet to a 100% concentrate-based diet and dietary treatments were 0 or 2 g BZ/kg of diet dry matter. Study 1 evaluated growth performance and carcass traits of lambs over a 59.5 d feeding period, and Study 2 evaluated changes in rumen morphometrics and small intestine histology in serial harvested lambs. Wethers supplemented with BZ had increased body wall thickness, decreased calculated boneless closely trimmed retail cuts, and decreased red meat yield (p ≤ 0.03) compared to non-supplemented wethers. Linear effects (p ≤ 0.01) for harvest date were observed for most rumen and small intestine measurements. Supplementing wethers with BZ did not improve growth performance, carcass traits, or rumen and small intestine measurements. The effects of BZ supplementation on fat deposition in ruminants should be further investigated. Full article