bluuebunny/crossref_metadata_2025 huggingface dataset:
A Selective Oxidation Strategy towards the Yolk–Shell Structured ZnS@C Material for Ultra-Stable Li-Ion Storage
Authors: Liao Wenhua , Hu Qianqian , Lin Xiaoshan , Yan Ruibo , Zhan Guanghao , Wu Xiaohui , Huang Xiaoying
Published: March 2023

Metal chalcogenides are attractive anode materials for lithium-ion batteries (LIBs) due to their high theoretical capacities. With the advantages of low cost and abundance reserves, ZnS is regarded as the prime candidate anode material for future generations, but its practical application is hindered by the large volume expansion during repeated cycling processes and inherent poor conductivity. Rational design of the microstructure with large pore volume and high specific surface area is of great significance to solve these problems. Here, a carbon-coated ZnS yolk-shell structure (YS-ZnS@C) has been prepared by selective partial oxidation of a core-shell structured ZnS@C precursor in air and subsequent acid etching. Studies show that the carbon wrapping and proper etching to bring cavities can not only improve the material’s electrical conductivity, but can also effectively alleviate the volume expansion problem of ZnS during its cycles. As a LIB anode material, the YS-ZnS@C exhibits an obvious superiority in capacity and cycle life compared to ZnS@C. The YS-ZnS@C composite shows a discharge capacity of 910 mA h g−1 at the current density of 100 mA g−1 after 65 cycles, compared to only 604 mA h g−1 for ZnS@C after 65 cycles. Notably, at a large current density of 3000 mA g−1, a capacity of 206 mA h g−1 can still be maintained after 1000 cycles (over three times of the capacity for ZnS@C). It is expected that the synthetic strategy developed here is applicable to designing various high-performance metal chalcogenide-based anode materials for LIBs.
Hierarchical Biobased Macroporous/Mesoporous Carbon: Fabrication, Characterization and Electrochemical/Ion Exchange Properties
Authors: Bruno Mariano M. , Cotella N. Gustavo , Barbero Cesar A.
Published: March 2023

With the goal of improving the mechanical properties of porous hierarchical carbon, cellulosic fiber fabric was incorporated into the resorcinol/formaldehyde (RF) precursor resins. The composites were carbonized in an inert atmosphere, and the carbonization process was monitored by TGA/MS. The mechanical properties, evaluated by nanoindentation, show an increase in the elastic modulus due to the reinforcing effect of the carbonized fiber fabric. It was found that the adsorption of the RF resin precursor onto the fabric stabilizes its porosity (micro and mesopores) during drying while incorporating macropores. The textural properties are evaluated by N2 adsorption isotherm, which shows a surface area (BET) of 558 m2g−1. The electrochemical properties of the porous carbon are evaluated by cyclic voltammetry (CV), chronocoulometry (CC), and electrochemical impedance spectroscopy (EIS). Specific capacitances (in 1 M H2SO4) of up to 182 Fg−1 (CV) and 160 Fg−1 (EIS) are measured. The potential-driven ion exchange was evaluated using Probe Bean Deflection techniques. It is observed that ions (protons) are expulsed upon oxidation in acid media by the oxidation of hydroquinone moieties present on the carbon surface. In neutral media, when the potential is varied from values negative to positive of the potential of zero charge, cation release, followed by anion insertion, is found.
Residual Stress Distribution in a Copper-Aluminum Multifilament Composite Fabricated by Rotary Swaging
Authors: Canelo-Yubero David , Kocich Radim , Šaroun Jan , Strunz Pavel
Published: March 2023

Rotary swaging is a promising technique for the fabrication of clad Cu/Al composites. Residual stresses appearing during the processing of a special arrangement of Al filaments within the Cu matrix and the influence of the bar reversal between the passes were studied by (i) neutron diffraction using a novel evaluation procedure for pseudo-strain correction and (ii) a finite element method simulation. The initial study of the stress differences in the Cu phase allowed us to infer that the stresses around the central Al filament are hydrostatic when the sample is reversed during the passes. This fact enabled the calculation of the stress-free reference and, consequently, the analysis of the hydrostatic and deviatoric components. Finally, the stresses with the von Mises relation were calculated. Hydrostatic stresses (far from the filaments) and axial deviatoric stresses are zero or compressive for both reversed and non-reversed samples. The reversal of the bar direction slightly changes the overall state within the region of high density of Al filaments, where hydrostatic stresses tend to be tensile, but it seems to be advantageous for avoiding plastification in the regions without Al wires. The finite element analysis revealed the presence of shear stresses; nevertheless, stresses calculated with the von Mises relation show similar trends in the simulation and in the neutron measurements. Microstresses are suggested as a possible reason for the large width of the neutron diffraction peak in the measurement of the radial direction.
Reduced Slit Rolling Power in Rebar Steel Production
Authors: Khan Rashid , Ataya Sabbah , Elgammal Islam , Essa Khamis
Published: March 2023

The rolling process of rebar steel production is one of the well established manufacturing processes; however, it should be subjected to revision and redesign for productivity enhancement and power reduction throughout the slit rolling process. In this work, slitting passes are extensively reviewed and modified for the attainment of better rolling stability and reduction in power consumption. The study has been applied for grade B400B-R Egyptian rebar steel, which is equivalent to steel grade ASTM A615M, Grade 40. Traditionally, the rolled strip in the rolling pass is edged before implementing a slitting pass using grooved rolls; this produces a single barreled strip. This single barrel form causes instability in the next slitting stand on the pressing by the slitting roll knife. Multiple industrial trials are attempted to achieve the deformation of the edging stand using a grooveless roll. As a result, a double barreled slab is produced. In parallel, finite element simulations of the edging pass are performed using grooved and grooveless rolls, and similar slab geometry with single and double barreled form are produced. In addition, further finite element simulations of the slitting stand are execute using idealized single barreled strips. The power calculated by the FE simulations of the single barreled strip is (245 kW), which is in acceptable agreement with the experimental observations in the industrial process (216 kW). This result validates the FE modeling parameters such as material model and boundary conditions. The FE modeling is extended to the slit rolling stand of a double barreled strip, which was previously produced by the grooveless edging rolls. It is found that the power consumption is (165 kW) 12% lower than the power consumed (185 kW) for slitting the single barreled strip.
Inductive Determination of Rate-Reaction Equation Parameters for Dislocation Structure Formation Using Artificial Neural Network
Authors: Umeno Yoshitaka , Kawai Emi , Kubo Atsushi , Shima Hiroyuki , Sumigawa Takashi
Published: March 2023

The reaction–diffusion equation approach, which solves differential equations of the development of density distributions of mobile and immobile dislocations under mutual interactions, is a method widely used to model the dislocation structure formation. A challenge in the approach is the difficulty in the determination of appropriate parameters in the governing equations because deductive (bottom-up) determination for such a phenomenological model is problematic. To circumvent this problem, we propose an inductive approach utilizing the machine-learning method to search a parameter set that produces simulation results consistent with experiments. Using a thin film model, we performed numerical simulations based on the reaction–diffusion equations for various sets of input parameters to obtain dislocation patterns. The resulting patterns are represented by the following two parameters; the number of dislocation walls (p2), and the average width of the walls (p3). Then, we constructed an artificial neural network (ANN) model to map between the input parameters and the output dislocation patterns. The constructed ANN model was found to be able to predict dislocation patterns; i.e., average errors in p2 and p3 for test data having 10% deviation from the training data were within 7% of the average magnitude of p2 and p3. The proposed scheme enables us to find appropriate constitutive laws that lead to reasonable simulation results, once realistic observations of the phenomenon in question are provided. This approach provides a new scheme to bridge models for different length scales in the hierarchical multiscale simulation framework.
Printing Formation of Flexible (001)-Oriented PZT Films on Plastic Substrates
Authors: Nakajima Tomohiko , Kitanaka Yuuki
Published: March 2023

High-quality, uniaxially oriented, and flexible PbZr0.52Ti0.48O3 (PZT) films were fabricated on flexible RbLaNb2O7/BaTiO3 (RLNO/BTO)-coated polyimide (PI) substrates. All layers were fabricated by a photo-assisted chemical solution deposition (PCSD) process using KrF laser irradiation for photocrystallization of the printed precursors. The Dion–Jacobson perovskite RLNO thin films on flexible PI sheets were employed as seed layers for the uniaxially oriented growth of PZT films. To obtain the uniaxially oriented RLNO seed layer, a BTO nanoparticle-dispersion interlayer was fabricated to avoid PI substrate surface damage under excess photothermal heating, and the RLNO has been orientedly grown only at around 40 mJ·cm−2 at 300 °C. The prepared RLNO seed layer on the BTO/PI substrate showed very high (010)-oriented growth with a very high Lotgering factor (F(010) = 1.0). By using the flexible (010)-oriented RLNO film on BTO/PI, PZT film crystal growth was possible via KrF laser irradiation of a sol–gel-derived precursor film at 50 mJ·cm−2 at 300 °C. The obtained PZT film showed highly (001)-oriented growth on the flexible plastic substrates with F(001) = 0.92 without any micro-cracks. The RLNO was only uniaxial-oriented grown at the top part of the RLNO amorphous precursor layer. The oriented grown and amorphous phases of RLNO would have two important roles for this multilayered film formation: (1) triggering orientation growth of the PZT film at the top and (2) the stress relaxation of the underneath BTO layer to suppress the micro-crack formation. This is the first time that PZT films have been crystallized directly on flexible substrates. The combined processes of photocrystallization and chemical solution deposition are a cost-effective and highly on-demand process for the fabrication of flexible devices.
Design and Verification of Adaptive Adjustable Output Control on Micro Spray Gun
Authors: Lin Jiun-Hung , Chen Chih-Hong , Tang Shih-Tsang
Published: March 2023

The general spray gun is used for industrial large-area spraying, and there is less demand for different pressures and the accuracy of spraying pressure, so mechanical pressure regulators are mostly used. However, as the demand for artistic innovation continues to grow, it promotes the advent of the micro spray gun. The micro spray gun is currently commonly known as an airbrush. The micro spray gun is mainly used for fine drawing, so it must provide different pressures with high precision pressures, but the existing mechanical regulators cannot meet this requirement. For these unmet requirements, this study proposed a solution for PID (proportional-integral-derivative) control micro spray gun system. The results showed that the PID control could effectively provide various stable output pressures of the micro spray gun. The pressure-varying range of 30 kPa could rapidly return to the target value in 10 s (the usual spraying time). The proposed solution then presents better spraying effects.
Combined Thermal and Wear Analysis of Linear Rolling Guide Subjected to Rigid–Flexible Coupling Motion Stage
Authors: Su Liyun , Zhang Chunheng , Yang Zhijun
Published: March 2023

The local heat and wear generated due to friction in a precision motion stage in electronic packaging equipment have a significant impact on its positioning precision. In this paper, we studied the temperature changes over time and the wear of a linear rolling guide (LRG) in a rigid–flexible coupling motion stage (RFCMS), both analytically and experimentally, and we proposed an evaluation method for LRG wear in an RFCMS. According to Fourier’s law and the law of conservation of energy, the differential equation of heat conduction for the LRG and the thermal boundary conditions were established. Steady-state and transient thermal simulations were carried out using ANSYS Workbench to predict the temperature increase in the LRG due to friction. Finally, a test apparatus was built to demonstrate that an RFCMS reduced the operating temperature of the LRG, which also reduced the wear on the contact surface. Through response surface methodology, the levels of the influence of different flexure hinge thicknesses, strokes, velocities, and accelerations on the temperature change rate (TCR) of the LRG were obtained, as well as the approximate regression equation of four variables of the TCR. This provided a new research method for precision maintenance, life design, and operational parameter selection for high-precision motion stages.
Effects and Mechanisms of Action of Preussin, a Marine Fungal Metabolite, against the Triple-Negative Breast Cancer Cell Line, MDA-MB-231, in 2D and 3D Cultures
Authors: Seabra Rosária , Malhão Fernanda , Correia Alexandra , Costa Carla , Kijjoa Anake , Rocha Eduardo
Published: March 2023

Triple-negative breast cancer (TNBC) represents an aggressive subtype of breast cancer (BC) with a typically poorer prognosis than other subtypes of BC and limited therapeutic options. Therefore, new drugs would be particularly welcome to help treat TNBC. Preussin, isolated from the marine sponge-associated fungus, Aspergillus candidus, has shown the potential to reduce cell viability and proliferation as well as to induce cell death and cell cycle arrest in 2D cell culture models. However, studies that better mimic the tumors in vivo, such as 3D cell cultures, are needed. Here, we studied the effects of preussin in the MDA-MB-231 cell line, comparing 2D and 3D cell cultures, using ultrastructural analysis and the MTT, BrdU, annexin V-PI, comet (alkaline and FPG modified versions), and wound healing assays. Preussin was found to decrease cell viability, both in 2D and 3D cell cultures, in a dose-dependent manner, impair cell proliferation, and induce cell death, therefore excluding the hypothesis of genotoxic properties. The cellular impacts were reflected by ultrastructural alterations in both cell culture models. Preussin also significantly inhibited the migration of MDA-MB-231 cells. The new data expanded the knowledge on preussin actions while supporting other studies, highlighting its potential as a molecule or scaffold for the development of new anticancer drugs against TNBC.
Investigation of Anomalous Degradation Tendency of Low-Frequency Noise in Irradiated SOI-NMOSFETs
Authors: Liu Rui , Gao Linchun , Wang Juanjuan , Ni Tao , Li Yifan , Wang Runjian , Li Duoli , Bu Jianhui , Zeng Chuanbin , Li Bo , Luo Jiajun
Published: March 2023

In this work, we present new evidence of the physical mechanism behind the generation of low-frequency noise with high interface-trap density by measuring the low-frequency noise magnitudes of partially depleted (PD) silicon-on-insulator (SOI) NMOSFETs as a function of irradiation dose. We measure the DC electrical characteristics of the devices at different irradiation doses and separate the threshold-voltage shifts caused by the oxide-trap charge and interface-trap charge. Moreover, the increased densities of the oxide-trap charge projected to the Si/SiO2 interface and interface-trap charge are calculated. The results of our experiment suggest that the magnitudes of low-frequency noise do not necessarily increase with the increase in border-trap density. A novel physical explanation for the low-frequency noise in SOI-NMOSFETs with high interface-trap density is proposed. We reveal that the presence of high-density interface traps after irradiation has a repressing effect on the generation of low-frequency noise. Furthermore, the exchange of some carriers between border traps and interface traps can cause a decrease in the magnitude of low-frequency noise when the interface-trap density is high.
An Introduction to Nonlinear Integrated Photonics Devices: Nonlinear Effects and Materials
Authors: Sirleto Luigi , Righini Giancarlo C.
Published: March 2023

The combination of integrated optics technologies with nonlinear photonics, which has led to the growth of nonlinear integrated photonics, has also opened the way to groundbreaking new devices and applications. Here we introduce the main physical processes involved in nonlinear photonics applications, and we discuss the fundaments of this research area, starting from traditional second-order and third-order phenomena and going to ultrafast phenomena. The applications, on the other hand, have been made possible by the availability of suitable materials, with high nonlinear coefficients, and/or by the design of guided-wave structures, which can enhance the material’s nonlinear properties. A summary of the most common nonlinear materials is presented, together with a discussion of the innovative ones. The discussion of fabrication processes and integration platforms is the subject of a companion article, also submitted for publication in this journal. There, several examples of nonlinear photonic integrated devices to be employed in optical communications, all-optical signal processing and computing, or quantum optics are shown, too. We aimed at offering a broad overview, even if, certainly, not exhaustive. We hope that the overall work could provide guidance for those who are newcomers to this field and some hints to the interested researchers for a more detailed investigation of the present and future development of this hot and rapidly growing field.
Ionic Liquid-Based Green Emulsion Liquid Membrane for the Extraction of the Poorly Soluble Drug Ibuprofen
Authors: Khan Huma Warsi , Elgharbawy Amal A. M. , Bustam Mohamed Azmi , Goto Masahiro , Moniruzzaman Muhammad
Published: March 2023

Ibuprofen (Ibf) is a biologically active drug (BADs) and an emerging contaminant of concern (CECs) in aqueous streams. Due to its adverse effects upon aquatic organisms and humans, the removal and recovery of Ibf are essential. Usually, conventional solvents are employed for the separation and recovery of ibuprofen. Due to environmental limitations, alternative green extracting agents need to be explored. Ionic liquids (ILs), emerging and greener alternatives, can also serve this purpose. It is essential to explore ILs that are effective for recovering ibuprofen, among millions of ILs. The conductor-like screening model for real solvents (COSMO-RS) is an efficient tool that can be used to screen ILs specifically for ibuprofen extraction. The main objective of this work was to identify the best IL for the extraction of ibuprofen. A total of 152 different cation–anion combinations consisting of eight aromatic and non-aromatic cations and nineteen anions were screened. The evaluation was based upon activity coefficients, capacity, and selectivity values. Furthermore, the effect of alkyl chain length was studied. The results suggest that quaternary ammonium (cation) and sulfate (anion) have better extraction ability for ibuprofen than the other combinations tested. An ionic liquid-based green emulsion liquid membrane (ILGELM) was developed using the selected ionic liquid as the extractant, sunflower oil as the diluent, Span 80 as the surfactant, and NaOH as the stripping agent. Experimental verification was carried out using the ILGELM. The experimental results indicated that the predicted COSMO-RS and the experimental results were in good agreement. The proposed IL-based GELM is highly effective for the removal and recovery of ibuprofen.
Antiulcer Activity of Anthraquinone–Flavonoid Complex of Rumex tianschanicus Losinsk
Authors: Seitimova Gulnaz A. , Shokan Aksholpan K. , Tolstikova Tatyana G. , Zhukova Nataliya A. , Korulkin Dmitriy Yu. , Kudrina Nataliya O. , Litvinenko Yuliya A. , Meduntseva Nataliya D. , Terletskaya Nina V. , Kulmanov Timur E.
Published: March 2023

The composition of an ethanol extract from the roots of Rumex tianschanicus Losinsk of the Trans-Ili Alatau wild flora was studied in order to determine its antiulcer activity. The phytochemical composition of the anthraquinone–flavonoid complex from (AFC) R. tianschanicus revealed the presence of numerous polyphenolic compounds, the most abundant of which are anthraquinones (1.77%), flavonoids (6.95%), and tannins (13.39%). The use of column chromatography (CC) and thin-layer chromatography (TLC) in conjunction with UV, IR, NMR spectroscopy, and mass spectrometry data allowed the researchers to isolate and identify the major components of the anthraquinone–flavonoid complex’s polyphenol fraction: physcion, chrysophanol, emodin, isorhamnetin, quercetin, and myricetin. The gastroprotective effect of the polyphenolic fraction of the anthraquinone–flavonoid complex (AFC) of R. tianschanicus roots was examined in an experimental model of rat gastric ulcer induced by indomethacin. The preventive and therapeutic effect of the anthraquinone–flavonoid complex at a dose of 100 mg/kg was analyzed using intragastric administration per day for 1 to 10 days, followed by a histological examination of stomach tissues. It has been demonstrated that prophylactic and prolonged use of the AFC R. tianschanicus in laboratory animals resulted in significantly less pronounced hemodynamic and desquamative changes in the epithelium of gastric tissues. The acquired results thus offer fresh insight into the anthraquinone and flavonoid metabolite component composition of R. tianschanicus roots, and they imply that the examined extract can be used to develop herbal medicines with antiulcer activity.
Multitargeting Histamine H3 Receptor Ligands among Acetyl- and Propionyl-Phenoxyalkyl Derivatives
Authors: Łażewska Dorota , Kaleta Maria , Zaręba Paula , Godyń Justyna , Dubiel Mariam , Honkisz-Orzechowska Ewelina , Doroz-Płonka Agata , Więckowska Anna , Stark Holger , Kieć-Kononowicz Katarzyna
Published: March 2023

Alzheimer’s disease (AD) is a neurodegenerative disorder, for which there is no effective cure. Current drugs only slow down the course of the disease, and, therefore, there is an urgent need to find effective therapies that not only treat, but also prevent it. Acetylcholinesterase inhibitors (AChEIs), among others, have been used for years to treat AD. Histamine H3 receptors (H3Rs) antagonists/inverse agonists are indicated for CNS diseases. Combining AChEIs with H3R antagonism in one structure could bring a beneficial therapeutic effect. The aim of this study was to find new multitargetting ligands. Thus, continuing our previous research, acetyl- and propionyl-phenoxy-pentyl(-hexyl) derivatives were designed. These compounds were tested for their affinity to human H3Rs, as well as their ability to inhibit cholinesterases (acetyl- and butyrylcholinesterases) and, additionally, human monoamine oxidase B (MAO B). Furthermore, for the selected active compounds, their toxicity towards HepG2 or SH-SY5Y cells was evaluated. The results showed that compounds 16 (1-(4-((5-(azepan-1-yl)pentyl)oxy)phenyl)propan-1-one) and 17 (1-(4-((6-(azepan-1-yl)hexyl)oxy)phenyl)propan-1-one) are the most promising, with a high affinity for human H3Rs (Ki: 30 nM and 42 nM, respectively), a good ability to inhibit cholinesterases (16: AChE IC50 = 3.60 µM, BuChE IC50 = 0.55 µM; 17: AChE IC50 = 1.06 µM, BuChE IC50 = 2.86 µM), and lack of cell toxicity up to 50 µM.
Increasing Reaction Rates of Water-Soluble Porphyrins for 64Cu Radiopharmaceutical Labeling
Authors: Pęgier Mateusz , Kilian Krzysztof , Pyrzynska Krystyna
Published: March 2023

Searching for new compounds and synthetic routes for medical applications is a great challenge for modern chemistry. Porphyrins, natural macrocycles able to tightly bind metal ions, can serve as complexing and delivering agents in nuclear medicine diagnostic imaging utilizing radioactive nuclides of copper with particular emphasis on 64Cu. This nuclide can, due to multiple decay modes, serve also as a therapeutic agent. As the complexation reaction of porphyrins suffers from relatively poor kinetics, the aim of this study was to optimize the reaction of copper ions with various water-soluble porphyrins in terms of time and chemical conditions, that would meet pharmaceutical requirements and to develop a method that can be applied for various water-soluble porphyrins. In the first method, reactions were conducted in a presence of a reducing agent (ascorbic acid). Optimal conditions, in which the reaction time was 1 min, comprised borate buffer at pH 9 with a 10-fold excess of ascorbic acid over Cu2+. The second approach involved a microwave-assisted synthesis at 140 °C for 1–2 min. The proposed method with ascorbic acid was applied for radiolabeling of porphyrin with 64Cu. The complex was then subjected to a purification procedure and the final product was identified using high-performance liquid chromatography with radiometric detection.
Cortisol Monitoring Devices toward Implementation for Clinically Relevant Biosensing In Vivo
Authors: Kusov Pavel A. , Kotelevtsev Yuri V. , Drachev Vladimir P.
Published: March 2023

Cortisol is a steroid hormone that regulates energy metabolism, stress reactions, and immune response. Cortisol is produced in the kidneys’ adrenal cortex. Its levels in the circulatory system are regulated by the neuroendocrine system with a negative feedback loop of the hypothalamic–pituitary–adrenal axis (HPA-axis) following circadian rhythm. Conditions associated with HPA-axis disruption cause deteriorative effects on human life quality in numerous ways. Psychiatric, cardiovascular, and metabolic disorders as well as a variety of inflammatory processes accompanying age-related, orphan, and many other conditions are associated with altered cortisol secretion rates and inadequate responses. Laboratory measurements of cortisol are well-developed and based mainly on the enzyme linked immunosorbent assay (ELISA). There is a great demand for a continuous real-time cortisol sensor that is yet to be developed. Recent advances in approaches that will eventually culminate in such sensors have been summarized in several reviews. This review compares different platforms for direct cortisol measurements in biological fluids. The ways to achieve continuous cortisol measurements are discussed. A cortisol monitoring device will be essential for personified pharmacological correction of the HPA-axis toward normal cortisol levels through a 24-h cycle.
Exploring the Relationship between Reactivity and Electronic Structure in Isorhodanine Derivatives Using Computer Simulations
Authors: Michalski Michal , Berski Slawomir
Published: March 2023

The electronic structure and reactivity of 22 isorhodanine (IsRd) derivatives in the Diels–Alder reaction with dimethyl maleate (DMm) were investigated under two different environments (gas phase and continuous solvent CH3COOH), using free Gibbs activation energy, free Gibbs reaction energy, and frontier molecular orbitals to analyze their reactivity. The results revealed both inverse electronic demand (IED) and normal electronic demand (NED) characteristics in the Diels–Alder reaction and also provided insights into the aromaticity of the IsRd ring by employing HOMA values. Additionally, the electronic structure of the IsRd core was analyzed through topological examination of the electron density and electron localization function (ELF). Specifically, the study demonstrated that ELF was able to successfully capture chemical reactivity, highlighting the potential of this method to provide valuable insights into the electronic structure and reactivity of molecules.
Ganoderic Acid A and Its Amide Derivatives as Potential Anti-Cancer Agents by Regulating the p53-MDM2 Pathway: Synthesis and Biological Evaluation
Authors: Jia Yi , Li Yan , Shang Hai , Luo Yun , Tian Yu
Published: March 2023

The mechanisms of action of natural products and the identification of their targets have long been a research hotspot. Ganoderic acid A (GAA) is the earliest and most abundant triterpenoids discovered in Ganoderma lucidum. The multi-therapeutic potential of GAA, in particular its anti-tumor activity, has been extensively studied. However, the unknown targets and associated pathways of GAA, together with its low activity, limit in-depth research compared to other small molecule anti-cancer drugs. In this study, GAA was modified at the carboxyl group to synthesize a series of amide compounds, and the in vitro anti-tumor activities of the derivatives were investigated. Finally, compound A2 was selected to study its mechanism of action because of its high activity in three different types of tumor cell lines and low toxicity to normal cells. The results showed that A2 could induce apoptosis by regulating the p53 signaling pathway and may be involved in inhibiting the interaction of MDM2 and p53 by binding to MDM2 (KD = 1.68 µM). This study provides some inspiration for the research into the anti-tumor targets and mechanisms of GAA and its derivatives, as well as for the discovery of active candidates based on this series.
Brightly Luminescent (TbxLu1−x)2bdc3·nH2O MOFs: Effect of Synthesis Conditions on Structure and Luminescent Properties
Authors: Nosov Viktor G. , Toikka Yulia N. , Petrova Anna S. , Butorlin Oleg S. , Kolesnikov Ilya E. , Orlov Sergey N. , Ryazantsev Mikhail N. , Kolesnik Stefaniia S. , Bogachev Nikita A. , Skripkin Mikhail Yu. , Mereshchenko Andrey S.
Published: March 2023

Luminescent, heterometallic terbium(III)–lutetium(III) terephthalate metal-organic frameworks (MOFs) were synthesized via direct reaction between aqueous solutions of disodium terephthalate and nitrates of corresponding lanthanides by using two methods: synthesis from diluted and concentrated solutions. For (TbxLu1−x)2bdc3·nH2O MOFs (bdc = 1,4-benzenedicarboxylate) containing more than 30 at. % of Tb3+, only one crystalline phase was formed: Ln2bdc3·4H2O. At lower Tb3+ concentrations, MOFs crystallized as the mixture of Ln2bdc3·4H2O and Ln2bdc3·10H2O (diluted solutions) or Ln2bdc3 (concentrated solutions). All synthesized samples that contained Tb3+ ions demonstrated bright green luminescence upon excitation into the 1ππ* excited state of terephthalate ions. The photoluminescence quantum yields (PLQY) of the compounds corresponding to the Ln2bdc3 crystalline phase were significantly larger than for Ln2bdc3·4H2O and Ln2bdc3·10H2O phases due to absence of quenching from water molecules possessing high-energy O-H vibrational modes. One of the synthesized materials, namely, (Tb0.1Lu0.9)2bdc3·1.4H2O, had one of the highest PLQY among Tb-based MOFs, 95%.
Experiments and Numerical Simulation of N-decane/Ethanol Bi-Component Droplet Evaporation
Authors: Zhang Zhenzhong , Huang Xuefeng , Xu Jiangrong
Published: March 2023

The evaporation characteristics of n-decane-based bi-component or multi-component droplets have been veiled for application in advanced combustion. This paper proposes to experimentally investigate the evaporation of n-decane/ethanol bi-component droplets settled in the convective hot air, and numerically simulate the key parameters affecting the evaporation charactersitics. It was found that the evaporation behavior was interactively affected by the mass fraction of ethanol and the ambient temperature. For mono-component n-decane droplets, the evaporation process included the transient heating (non-isothermal) and steady evaporation (isothermal) stages. In the isothermal stage, the evaporation rate followed d2-law. The evaporation rate constant linearly increased as the ambient temperature enhanced (573~873 K). For n-decane/ethanol bi-component droplets, at low mass fractions (≤0.2), the isothermal evaporation processes were steady due to the good miscibility between n-decane and ethanol, like mono-component n-decane, whereas at high mass fractions (≥0.4), the evaporation process experienced ultrashort heating and fluctuating evaporation stages. During the fluctuating evaporation, the bubbles formed inside the bi-component droplets and expanded, resulting in the occurrence of the microspray (secondary atomization) and the microexplosion. The evaporation rate constant of bi-component droplets increased as the ambient temperature enhanced, and showed a “V-shaped” trend with the increase of the mass fraction, and the evaporation rate constant was the smallest at 0.4. The evaporation rate constants based on the numerical simulation by using the multiphase flow model and Lee model showed reasonable agreement with the experimental ones, suggesting a potential of application in practical engineering.
Deep Eutectic Liquids as a Topical Vehicle for Tadalafil: Characterisation and Potential Wound Healing and Antimicrobial Activity
Authors: Alkhawaja Bayan , Al-Akayleh Faisal , Al-Khateeb Ashraf , Nasereddin Jehad , Ghanim Bayan Y. , Bolhuis Albert , Jaber Nisrein , Al-Remawi Mayyas , Qinna Nidal A.
Published: March 2023

Deep eutectic solvents (DESs) and ionic liquids (ILs) offer novel opportunities for several pharmaceutical applications. Their tunable properties offer control over their design and applications. Choline chloride (CC)-based DESs (referred to as Type III eutectics) offer superior advantages for various pharmaceutical and therapeutic applications. Here, CC-based DESs of tadalafil (TDF), a selective phosphodiesterase type 5 (PDE-5) enzyme inhibitor, were designed for implementation in wound healing. The adopted approach provides formulations for the topical application of TDF, hence avoiding systemic exposure. To this end, the DESs were chosen based on their suitability for topical application. Then, DES formulations of TDF were prepared, yielding a tremendous increase in the equilibrium solubility of TDF. Lidocaine (LDC) was included in the formulation with TDF to provide a local anaesthetic effect, forming F01. The addition of propylene glycol (PG) to the formulation was attempted to reduce the viscosity, forming F02. The formulations were fully characterised using NMR, FTIR and DCS techniques. According to the obtained characterisation results, the drugs were soluble in the DES with no detectable degradation. Our results demonstrated the utility of F01 in wound healing in vivo using cut wound and burn wound models. Significant retraction of the cut wound area was observed within three weeks of the application of F01 when compared with DES. Furthermore, the utilisation of F01 resulted in less scarring of the burn wounds than any other group including the positive control, thus rendering it a candidate formula for burn dressing formulations. We demonstrated that the slower healing process associated with F01 resulted in less scarring potential. Lastly, the antimicrobial activity of the DES formulations was demonstrated against a panel of fungi and bacterial strains, thus providing a unique wound healing process via simultaneous prevention of wound infection. In conclusion, this work presents the design and application of a topical vehicle for TDF with novel biomedical applications.
QM/MM Modeling of the Flavin Functionalization in the RutA Monooxygenase
Authors: Grigorenko Bella , Domratcheva Tatiana , Nemukhin Alexander
Published: March 2023

Oxygenase activity of the flavin-dependent enzyme RutA is commonly associated with the formation of flavin-oxygen adducts in the enzyme active site. We report the results of quantum mechanics/molecular mechanics (QM/MM) modeling of possible reaction pathways initiated by various triplet state complexes of the molecular oxygen with the reduced flavin mononucleotide (FMN) formed in the protein cavities. According to the calculation results, these triplet-state flavin-oxygen complexes can be located at both re-side and si-side of the isoalloxazine ring of flavin. In both cases, the dioxygen moiety is activated by electron transfer from FMN, stimulating the attack of the arising reactive oxygen species at the C4a, N5, C6, and C8 positions in the isoalloxazine ring after the switch to the singlet state potential energy surface. The reaction pathways lead to the C(4a)-peroxide, N(5)-oxide, or C(6)-hydroperoxide covalent adducts or directly to the oxidized flavin, depending on the initial position of the oxygen molecule in the protein cavities.
Assessment of the Composition of Breastmilk Substitutes, Commercial Complementary Foods, and Commercial Snack Products Commonly Fed to Infant and Young Children in Lebanon: A Call to Action
Authors: Hoteit Maha , Ibrahim Carla , Nohra Joanna , Sacre Yonna , Hanna-Wakim Lara , Al-Jawaldeh Ayoub
Published: March 2023

(1) Background: Nutrition for optimum growth and physical development is acquired by adequate infant feeding practices. (2) Methods: One hundred seventeen different brands of infant formulas (n = 41) and baby food products (n = 76) were selected from the Lebanese market and were analyzed for their nutritional content. (3) Results: Saturated fatty acid content was detected to be the highest in follow-up formulas (79.85 g/100 g) and milky cereals (75.38 g/100 g). Among all saturated fatty acids, palmitic acid (C16:0) accounted for the greatest proportion. Moreover, glucose and sucrose were the predominant added sugars in infant formulas, while sucrose was the main added sugar in baby food products. Our data showed that the majority of the products were non-compliant to the regulations and the manufacturers’ nutrition facts labels. Our results stated also that the contribution to the daily value for the saturated fatty acids, added sugars, and protein exceeded the daily recommended intake for most infant formulas and baby food products. (4) Conclusions: This requires careful evaluation from policymakers in order to improve the infant and young children feeding practices.
Considerations for Optimizing Warfighter Psychological Health with a Research-Based Flavonoid Approach: A Review
Authors: Currie Tanisha L. , Engler Marguerite M. , Krauthamer Victor , Scott Jonathan M. , Deuster Patricia A. , Flagg Thomas P.
Published: March 2023

Optimal nutrition is imperative for psychological health. Oxidative stress and inflammation are underlying etiologies for alterations in psychological health. Warfighters are at risk of health concerns such as depression due to increased stress in austere environments and family separation while deployed. Over the last decade, research has demonstrated the health benefits of flavonoids found in fruits and berries. Berry flavonoids have potent antioxidant and anti-inflammatory properties by inhibiting oxidative stress and inflammation. In this review, the promising effects of various berries rich in bioactive flavonoids are examined. By inhibiting oxidative stress, berry flavonoids have the potential to modulate brain, cardiovascular, and intestinal health. There is a critical need for targeted interventions to address psychological health concerns within the warfighter population, and a berry flavonoid-rich diet and/or berry flavonoid dietary supplement intervention may prove beneficial as an adjunctive therapy. Structured searches of the literature were performed in the PubMed, CINAHL, and EMBASE databases using predetermined keywords. This review focuses on berry flavonoids’ critical and fundamental bioactive properties and their potential effects on psychological health in investigations utilizing cell, animal, and human model systems.
Coeliac Disease Case–Control Study: Has the Time Come to Explore beyond Patients at Risk?
Authors: Castillejo Gemma , Ochoa-Sangrador Carlos , Pérez-Solís David , Cilleruelo Maria Luz , Donat Ester , García-Burriel Jose Ignacio , Sánchez-Valverde Félix , Garcia-Calatayud Salvador , Eizaguirre Francisco Javier , Martinez-Ojinaga Eva , Barros Patricia , Leis Rosaura , Salazar Jose Carlos , Barrio Josefa , Peña-Quintana Luis , Luque Verónica , Polanco Isabel , Ribes Carmen , Roman Enriqueta
Published: March 2023

The worldwide prevalence of asymptomatic coeliac disease (CD) is increasing, which is in part due to the routine screening of children with risk factors. Both symptomatic and asymptomatic patients with CD are at risk of long-term complications. The objective of this study was to compare the clinical characteristics of asymptomatic and symptomatic children at the time of CD diagnosis. A case–control study was conducted using data from a cohort of 4838 CD patients recruited from 73 centers across Spain between 2011 and 2017. A total of 468 asymptomatic patients (cases) were selected and matched by age and sex with 468 symptomatic patients (controls). Clinical data, including any reported symptoms, as well as serologic, genetic, and histopathologic data were collected. No significant differences were found between the two groups in most clinical variables, nor in the degree of intestinal lesion. However, the asymptomatic patients were taller (height z-score −0.12 (1.06) vs. −0.45 (1.19), p < 0.001) and were less likely to have anti transglutaminase IgA antibodies ≥ 10 times the upper normal limit (66.2% vs. 758.4%, p = 0.002). Among the 37.1% of asymptomatic patients who were not screened for CD due to the absence of risk factors, only 34% were truly asymptomatic, while the remaining 66% reported non-specific CD-related symptoms. Therefore, expanding CD screening to any child who undergoes a blood test could reduce the burden of care for some children, as many of those considered asymptomatic reported non-specific CD-related symptoms.
Citrus × paradisi L. Fruit Waste: The Impact of Eco-Friendly Extraction Techniques on the Phytochemical and Antioxidant Potential
Authors: Stabrauskiene Jolita , Marksa Mindaugas , Ivanauskas Liudas , Viskelis Pranas , Viskelis Jonas , Bernatoniene Jurga
Published: March 2023

Citrus fruits have been the subject of extensive research over the years due to their impressive antioxidant properties, the health benefits of flavanones, and their potential use in the prevention and treatment of chronic diseases. Grapefruit have been shown in studies to improve overall health, with numerous potential benefits, including improved heart health, reduced risk of certain cancers, improved digestive health, and improved immune system function. The development of cyclodextrin complexes is an exciting approach to increasing the content of flavanones such as naringin and naringenin in the extraction medium while improving the profile of beneficial phenolic compounds and the antioxidant profile. This research aims to optimize the extraction conditions of the flavanones naringin and naringenin with additional compounds to increase their yield from different parts of grapefruit (Citrus × paradisi L.) fruits, such as albedo and segmental membranes. In addition, the total content of phenolic compounds, flavonoids, and the antioxidant activity of ethanolic extracts produced conventionally and with -cyclodextrin was examined and compared. In addition, antioxidant activity was measured using the radical scavenging activity assay (ABTS), radical scavenging activity assay (DPPH), and ferric reducing antioxidant power (FRAP) methods. The yield of naringin increased from 10.53 ± 0.52 mg/g to 45.56 ± 5.06 mg/g to 51.11 ± 7.63 mg/g of the segmental membrane when cyclodextrins (α, β-CD) were used; naringenin increased from 65.85 ± 10.96 μg/g to 91.19 ± 15.19 μg/g of the segmental membrane when cyclodextrins (α, β-CD) were used. Furthermore, the results showed that cyclodextrin-assisted extraction had a significant impact in significantly increasing the yield of flavanones from grapefruit. In addition, the process was more efficient and less expensive, resulting in higher yields of flavanones with a lower concentration of ethanol and effort. This shows that cyclodextrin-assisted extraction is an excellent method for extracting valuable compounds from grapefruit.
Effect of Lactoferrin on Clinical Outcomes of Hospitalized Patients with COVID-19: The LAC Randomized Clinical Trial
Authors: Matino Erica , Tavella Elena , Rizzi Manuela , Avanzi Gian Carlo , Azzolina Danila , Battaglia Antonio , Becco Paolo , Bellan Mattia , Bertinieri Giovanni , Bertoletti Massimo , Casciaro Giuseppe Francesco , Castello Luigi Mario , Colageo Umberto , Colangelo Donato , Comolli Davide , Costanzo Martina , Croce Alessandro , D’Onghia Davide , Della Corte Francesco , De Mitri Luigi , Dodaro Valentina , Givone Filippo , Gravina Alessia , Grillenzoni Luca , Gusmaroli Graziano , Landi Raffaella , Lingua Anna , Manzoni Roberto , Marinoni Vito , Masturzo Bianca , Minisini Rosalba , Morello Marina , Nelva Anna , Ortone Elena , Paolella Rita , Patti Giuseppe , Pedrinelli Anita , Pirisi Mario , Ravizzi Lidia , Rizzi Eleonora , Sola Daniele , Sola Mariolina , Tonello Nadir , Tonello Stelvio , Topazzo Gigliola , Tua Aldo , Valenti Piera , Vaschetto Rosanna , Vassia Veronica , Zecca Erika , Zublena Nicoletta , Manzoni Paolo , Sainaghi Pier Paolo
Published: March 2023

As lactoferrin is a nutritional supplement with proven antiviral and immunomodulatory abilities, it may be used to improve the clinical course of COVID-19. The clinical efficacy and safety of bovine lactoferrin were evaluated in the LAC randomized double-blind placebo-controlled trial. A total of 218 hospitalized adult patients with moderate-to-severe COVID-19 were randomized to receive 800 mg/die oral bovine lactoferrin (n = 113) or placebo (n = 105), both given in combination with standard COVID-19 therapy. No differences in lactoferrin vs. placebo were observed in the primary outcomes: the proportion of death or intensive care unit admission (risk ratio of 1.06 (95% CI 0.63–1.79)) or proportion of discharge or National Early Warning Score 2 (NEWS2) ≤ 2 within 14 days from enrollment (RR of 0.85 (95% CI 0.70–1.04)). Lactoferrin showed an excellent safety and tolerability profile. Even though bovine lactoferrin is safe and tolerable, our results do not support its use in hospitalized patients with moderate-to-severe COVID-19.
Assessing the Use of Social Cognitive Theory Components in Cooking and Food Skills Interventions
Authors: Gordillo Paola , Prescott Melissa Pflugh
Published: March 2023

Increased cooking skill development may reduce the risk of disease and promote healthy eating behaviors in the home. The social cognitive theory (SCT) is one of the most common theories used in cooking and food skill interventions. This narrative review aims to understand how commonly each SCT component is implemented in cooking interventions, as well as identifying which components are associated with positive outcomes. The literature review was conducted using three databases: PubMed, Web of Science (FSTA and CAB), and CINHAL, yielding thirteen included research articles. None of the studies in this review comprehensively included all SCT components; at most, five of the seven were defined. The most prevalent SCT components were behavioral capability, self-efficacy, and observational learning, and the least implemented component was expectations. All studies included in this review yielded positive outcomes for cooking self-efficacy and frequency, except for two studies with null outcomes. Findings from this review suggest that the SCT may not be fully realized, and future studies should continue to define how theory influences intervention design for adult cooking interventions.