bluuebunny/crossref_metadata_2025 huggingface dataset:
Heterostructured ZnCdS@ZIF-67 as a Photocatalyst for Fluorescent Dye Degradation and Selectively Nonenzymatic Sensing of Dopamine
Authors: Wang Zhichao , Wen Bianying , Zhou Jie , Zhao Xin , Zhang Xiaoyuan , Su Zhiqiang
Published: November 2022

Dopamine (DA) plays the role of the transmitter of information in the brain. Neurological diseases and depression are in close relationship with DA release. In this study, we developed a co-catalyst Zn0.2Cd0.8S@zeolitic imidazolate framework-67 (Zn0.2Cd0.8S@ZIF-67) to improve the photocatalyst efficacy of Rhodamine B (RhB) and electrochemical sensing of DA. Results show that Zn0.2Cd0.8S@ZIF-67 exhibits optimal photocatalytic activity with the addition of 80 mg ZIF-67. The degradation percentage of RhB by Zn0.2Cd0.8S@ZIF-67 reached 98.40% when the co-catalyst was 50 mg. Radical trapping experiments show that ·O2− played a significant role in the photocatalytic degradation of RhB. The catalytic mechanism of the Zn0.2Cd0.8S@ZIF-67 was found as a Z-type photocatalysis. Finally, a DA biosensor was constructed and displayed a high response and selectivity to DA. This can be attributed to the heterojunction between Zn0.2Cd0.8S and ZIF-67, which can significantly enhance the separation of e−/h+ and improve charge transfer. These findings will play a positive role in the in-situ monitoring of neurological diseases and depression.
Graphite Nodularity Evaluation in High-Si Ductile Cast Irons
Authors: Riposan Iulian , Anca Denisa , Stan Iuliana , Chisamera Mihai , Stan Stelian
Published: November 2022

Ferritic high-Si ductile cast irons replace an unstable mixed ferrite-pearlite matrix with a unique combination of high elongation, strength and hardness (ideal for automotive drive train components) and resistance to oxidation and corrosion at high temperatures (automotive exhaust and turbocharger systems). The present paper analyses the graphite parameters of 4.5%Si, un-inoculated ductile cast iron (4.7%CE, 0.035%Mgres) as an effect of the casting section size. The structure is characterized by 10.5–11.2% graphite and 464–975 nodules/mm2, at more than 70% ferrite and no carbides, including at 3 mm wall thickness. The lower the wall thickness is, the higher the nodule count is and, consequently, the higher the ferrite amount is. The Roundness Graphite Shape Factor (RSF = 0.65–0.68) illustrates the presence of Slightly Irregular Spheroidal Graphite (Form V ISO 945). There is a big difference between the graphite nodularity evaluated according to ISO 16112:2017 [CGI] (NG1 = 79–86%) and according to ISO 945-4-2019 (DI) (NG2 = 65.2–74.6%), both of them based on RSF. Graphite Nodularity (NG3), calculated with the ISO 945-4-2019 [DI] formula, but replacing RSF with SSF, Sphericity Graphite Shape Factor, has an intermediary position. The higher the imposed minimum RSF or SSF is, the lower the Graphite Nodularity (NG4, NG5): 80–90% for min. 0.50 (minimum Form IV or Intermediate Graphite), 60–80% for min. 0.60–0.65 (minimum Form V graphite) and 35–70% for min. 0.80 (minimum Form VI graphite). The SSF is more representative than the RSF for Si-alloyed ductile cast iron, so it is recommended to use a graphite nodularity calculus considering SSF instead of the RSF formula (stipulated by ISO 945-4-2019), with SSF replacing RSF.
Preparing Thick Gradient Surface Layer in Cu-Zn Alloy via Ultrasonic Severe Surface Rolling for Strength-Ductility Balance
Authors: Sun Qisheng , Sun Jiapeng , Fu Yantao , Xu Bingqian , Han Ying , Chen Jianqing , Han Jing , Wu Hao , Wu Guosong
Published: November 2022

A gradient structure (GS) design is a prominent strategy for strength-ductility balance in metallic materials, including Cu alloys. However, producing a thick GS surface layer without surface damage is still a challenging task limited by the available processing technology. In this work, a gradient structure (GS) surface layer with a thickness at the millimeter scale is produced in the Cu-38 wt.% Zn alloy using ultrasonic severe surface rolling technology at room temperature. The GS surface layer is as thick as 1.1 mm and involves the gradient distribution of grain size and dislocation density. The grain size is refined to 153.5 nm in the topmost surface layer and gradually increases with increasing depth. Tensile tests indicate that the single-sided USSR processed alloy exhibits balanced strength (467.5 MPa in yield strength) and ductility (10.7% in uniform elongation). Tailoring the volume fraction of the GS surface layer can tune the combination of strength and ductility in a certain range. The high strength of GS surface layer mainly stems from the high density of grain boundaries, dislocations and dislocation structures, deformation twins, and GS-induced synergistic strengthening effect. Our study elucidates the effect of the thick GS surface layer on strength and ductility, and provides a novel pathway for optimizing the strength-ductility combination of Cu alloys.
Electronic and Optical Properties of Rocksalt Mg1−xZnxO and Wurtzite Zn1−xMgxO with Varied Concentrations of Magnesium and Zinc
Authors: Lin Yin-Pai , Piskunov Sergei , Trinkler Laima , Ming-Chi Chou Mitch , Chang Liuwen
Published: November 2022

The structural, electronic and optical properties of rocksalt Mg1−xZnxO and wurtzite Zn1−xMgxO with the concentration of Zn and Mg varying from 0.125 to 0.875 were investigated using density functional theory (DFT), DFT+U, linear response theory and the Bethe–Salpeter equation. According to the experimental band gap for varied concentrations of magnesium and zinc, modeling the supercell was utilized for the varied concentrations of Mg/Zn/O compounds in order to not only avoid constructing the complicated interface systems that are observed in the experiments but also take into account the excitonic effects that usually require huge computational resources. From the calculated density of states, the Zn states are highly related to the edge of the conduction band minimum and responsible for the width of bandgap. In addition, the contribution of Zn–d states is below expectations as they are located away from the VBM. As for the optical response, an increase in Zn concentration would cause a red-shifted spectrum, on the whole. In contrast, the higher concentration of Mg also triggers the blue-shift of the optical spectrum. In addition, anisotropic properties could be found in the spectrum with consideration of the excitonic effects, whereas there is no apparent difference in optical response based on linear response theory. In addition, the optical features of this work reflect the characteristic peaks of the literature around the absorption onset.
Identification of the Right Environmental KPIs for Manufacturing Operations: Towards a Continuous Sustainability Framework
Authors: Sherif Ziyad , Sarfraz Shoaib , Jolly Mark , Salonitis Konstantinos
Published: November 2022

Sustainable manufacturing has grown into a major subject of discussion between individuals and organisations around the world. This is attributed to the recognition of the urgency in advancing sustainable manufacturing due to the diminishing non-renewable resources, stricter regulations related to environmental impacts and the increasing consumer preference for environmental-friendly products. However, manufacturing companies have been confronted with a decision on which KPIs to select for appraising their processes, and how they should interpret these KPIs in transforming their processes towards a sustainable future. This paper presents a structured framework for the manufacturing industries to identify the right environmental KPIs. It includes building a database for environmental KPIs, categorising, ranking, and composing a final KPI set for specified targets. The developed method allows for the selection of the most effective KPI in representing a specified target as well as identifying unmonitored environmental aspects. The framework has been corroborated by subject matter and industry experts in which the potential benefits have been verified.
A CNT-Toughened Strategy for In-Situ Repair of Aircraft Composite Structures
Authors: Yang Tengfei , Chu Shiyong , Liu Bin , Xu Fei , Wang Bo , Wu Chengwei
Published: November 2022

This study aimed to develop an in-situ field-repair approach, especially for aircraft composite structures, to enhance the interlaminar toughness of plain-woven composites (PWCs) by adding multi-walled carbon nanotubes (MWCNTs). MWCNTs were dispersed at each interface between prepreg layers by means of solvent spraying, with a density of 1.58 g/m2. Then, the layers were stacked with the predefined sequence and cured at 120 °C and 1 bar pressure, using a heat-repairing instrument. A standard double cantilever beam (DCB) test was used to investigate the interlaminar toughening effect that was due to the MWCNTs. For comparison, original samples were also prepared. The results indicated that the introduction of MWCNTs can favorably enhance the interlaminar toughness of PWCs in a field-repair approach and the Mode I fracture energy release rate, GIC, increased by 102.92%. Based on the finite element method (FEM) of continuum damage mechanics, the original samples and the MWCNTs toughening specimen under DCB Mode I fracture were modeled and analyzed. The simulation and the experiment were in good agreement. Finally, when the toughening mechanism of MWCNTs was explored with a scanning electron microscope (SEM), we found that a large amount of fiber-matrix (F-M) interface debonding and matrix cracking in mountain shape were the major modes of fracture, accompanied by a small amount of fiber breakage and matrix peeling for the MWCNTs-toughening specimens.
Pressure-Tuning Superconductivity in Noncentrosymmetric Topological Materials ZrRuAs
Authors: Li Changhua , Su Yunlong , Zhang Cuiwei , Pei Cuiying , Cao Weizheng , Wang Qi , Zhao Yi , Gao Lingling , Zhu Shihao , Zhang Mingxin , Chen Yulin , Shi Youguo , Li Gang , Qi Yanpeng
Published: November 2022

Recently, the hexagonal phase of ternary transition metal pnictides TT’X (T = Zr, Hf; T’ = Ru; X = P, As), which are well-known noncentrosymmetric superconductors, were predicted to host nontrivial bulk topology. In this work, we systematically investigate the electronic responses of ZrRuAs to external pressure. At ambient pressure, ZrRuAs show superconductivity with Tc ~ 7.74 K, while a large upper critical field ~ 13.03 T is obtained for ZrRuAs, which is comparable to the weak-coupling Pauli limit. The resistivity of ZrRuAs exhibits a non-monotonic evolution with increasing pressure. The superconducting transition temperature Tc increases with applied pressure and reaches a maximum value of 7.93 K at 2.1 GPa, followed by a decrease. The nontrivial topology is robust and persists up to the high-pressure regime. Considering both robust superconductivity and intriguing topology in this material, our results could contribute to studies of the interplay between topological electronic states and superconductivity.
Damping Behaviour and Mechanical Properties of Restorative Materials for Primary Teeth
Authors: Niem Thomas , Frankenberger Roland , Amend Stefanie , Wöstmann Bernd , Krämer Norbert
Published: November 2022

The energy dissipation capacity and damping ability of restorative materials used to restore deciduous teeth were assessed compared to common mechanical properties. Mechanical properties (flexural strength, modulus of elasticity, modulus of toughness) for Compoglass F, Dyract eXtra, SDR flow, Tetric Evo Ceram, Tetric Evo Ceram Bulk Fill, and Venus Diamond were determined using a 4-point bending test. Vickers hardness and Martens hardness, together with its plastic index (ηITdis), were recorded using instrumented indentation testing. Leeb hardness (HLD) and its deduced energy dissipation data (HLDdis) were likewise determined. The reliability of materials was assessed using Weibull analysis. For common mechanical properties, Venus Diamond always exhibited the significantly highest results and SDR flow the lowest, except for flexural strength. Independently determined damping parameters (modulus of toughness, HLDdis, ηITdis) invariably disclosed the highest values for SDR flow. Composite materials, including SDR flow, showed markedly higher reliabilities (Weibull modulus) than Compoglass F and Dyract eXtra. SDR flow showed pronounced energy dissipation and damping characteristics, making it the most promising material for a biomimetic restoration of viscoelastic dentin structures in deciduous teeth. Future developments in composite technology should implement improved resin structures that facilitate damping effects in artificial restorative materials.
Microstructural and Thermal Transport Properties of Regioregular Poly(3-hexylthiophene-2,5-diyl) Thin Films
Authors: Herrmann Kai , Freund Simon , Eller Fabian , Rößler Tamino , Papastavrou Georg , Herzig Eva M. , Retsch Markus
Published: November 2022

Polymeric thin films offer a wide range of exciting properties and applications, with several advantages compared to inorganic counterparts. The thermal conductivity of such thin films ranges typically between 0.1–1 W m−1 K−1. This low thermal conductivity can cause problems with heat dissipation in various applications. Detailed knowledge about thermal transport in polymeric thin films is desired to overcome these shortcomings, especially in light of the multitude of possible microstructures for semi-crystalline thin films. Therefore, poly(3-hexylthiophene-2,5-diyl) (P3HT) is chosen as a model system to analyze the microstructure and optoelectronic properties using X-ray scattering and absorption spectra along with the thermal transport properties using the photoacoustic technique. This combination of analysis methods allows for determining the optoelectronic and thermal transport properties on the same specimen, supplemented by structural information. The effect of different molecular weights and solvents during film preparation is systematically examined. A variation of the optoelectronic properties, mainly regarding molecular weight, is apparent, while no direct influence of the solvent during preparation is discernible. In contrast, the thermal conductivities of all films examined fall within a similar range. Therefore, the microstructural properties in the ordered regions do not significantly affect the resulting thermal properties in the sample space investigated in this work. We conclude that it is mainly the amorphous regions that determine the thermal transport properties, as these represent a bottleneck for thermal transport.
Comparison of Fracture Toughness in the Coarse-Grain Heat-Affected Zone of X80 Pipelines Girth-Welded under Conventional and Ultra-Low Heat Input
Authors: Liu Shuo , Ba Lingzhi , Li Chengning , Di Xinjie
Published: November 2022

The coarse-grain heat-affected zones (CGHAZs) of X80 girth-welded steel pipelines are prone to embrittlement, which has an extremely adverse effect on their structural integrity. In the present work, the fracture behavior of the CGHAZs of X80 girth welds under the conditions of conventional and ultra-low heat input was studied. The fracture toughness of CGHAZs was evaluated using the crack tip opening displacement (CTOD) test at −10 °C, and the fracture behavior mechanism of CGHAZs were clarified by analyzing microstructural characteristics at prefabricated fatigue cracks containing fracture cloud image, scanning electron microscopy (SEM), and electron back-scatter diffraction (EBSD) figures. The results illustrate that the average fracture toughness (CTOD) value of the ultra-low heat input CGHAZ is 0.6 mm, and the dispersion of CTOD values is small, while the CTOD value of conventional heat input is only 0.04 mm. The ultra-low heat input makes the high-temperature residence time of the coarse-grained region short, reduces the proportion of prior austenite grain boundaries, and inhibits the formation of strip-like bainite and island-like M-A components. The reduction of these deleterious ductile microstructures increases the plastic reserve and deformation capacity of the CGHAZ.
Thallusin Quantification in Marine Bacteria and Algae Cultures
Authors: Ulrich Johann F. , Gräfe Melina S. , Dhiman Seema , Wienecke Paul , Arndt Hans-Dieter , Wichard Thomas
Published: November 2022

Thallusin, a highly biologically active, phytohormone-like and bacterial compound-inducing morphogenesis of the green tide-forming macroalga Ulva (Chlorophyta), was determined in bacteria and algae cultures. A sensitive and selective method was developed for quantification based on ultra-high-performance liquid chromatography coupled with electrospray ionization and a high-resolution mass spectrometer. Upon C18 solid phase extraction of the water samples, thallusin was derivatized with iodomethane to inhibit the formation of Fe–thallusin complexes interfering with the chromatographic separation. The concentration of thallusin was quantified during the relevant phases of the bacterial growth of Maribacter spp., ranging from 0.16 ± 0.01 amol cell−1 (at the peak of the exponential growth phase) to 0.86 ± 0.13 amol cell−1 (late stationary phase), indicating its accumulation in the growth medium. Finally, we directly determined the concentration of thallusin in algal culture to validate our approach for monitoring applications. Detection and quantification limits of 2.5 and 7.4 pmol L−1, respectively, were reached, which allow for quantifying ecologically relevant thallusin concentrations. Our approach will enable the surveying of thallusin in culture and in nature and will thus contribute to the chemical monitoring of aquaculture.
SCA-Safe Implementation of Modified SaMAL2R Algorithm in FPGA
Authors: Morales Romero José de Jesús , Reyes Barranca Mario Alfredo , Tinoco Varela David , Flores Nava Luis Martin , Espinosa Garcia Emilio Rafael
Published: November 2022

Cryptographic algorithms (RSA, DSA, and ECC) use modular exponentiation as part of the principal operation. However, Non-profiled Side Channel Attacks such as Simple Power Analysis and Differential Power Analysis compromise cryptographic algorithms that use such operation. In this work, we present a modification of a modular exponentiation algorithm implemented in programmable devices, such as the Field Programmable Gate Array, for which we use Virtex-6 and Artix-7 evaluation boards. It is shown that this proposal is not vulnerable to the attacks mentioned previously. Further, a comparison was made with other related works, which use the same family of FPGAs. These comparisons show that this proposal not only defeats physical attack but also reduces the number of resources. For instance, the present work reduces the Look-Up Tables by 3550 and the number of Flip-Flops was decreased by 62,583 compared with other works. Besides, the number of memory blocks used is zero in the present work, in contrast with others that use a large number of blocks. Finally, the clock cycles (latency) are compared in different programmable devices to perform operations.
MHD Dissipative Williamson Nanofluid Flow with Chemical Reaction Due to a Slippery Elastic Sheet Which Was Contained within a Porous Medium
Authors: Alrihieli Haifaa , Areshi Mounirah , Alali Elham , Megahed Ahmed M.
Published: November 2022

The reasons why the model of non-Newtonian nanofluids is more applicable than other models, particularly those that take the porous medium into account, are studied here. Thus, we looked at the heat and mass transfer features of a non-Newtonian Williamson nanofluid flow due to a stretched sheet under the impact of chemical reactions, slip velocity, viscous dissipation, and the magnetic field in this article. The main focus is on a situation in which the properties of Williamson nanofluid, such as viscosity and thermal conductivity, change with temperature. After utilizing the shooting technique, a numerical solution to the suggested problem is provided. As a result, several graphs have been drawn to highlight how various physical characteristics that arise in the problems affect velocity, temperature, and concentration profiles. It was discovered that the heat and mass transmission processes are affected by the viscous dissipation phenomena, the slip velocity assumption, and the magnetic field. Theoretical and numerical results show a high level of qualitative agreement.
Quantitative Investigation of the Link between Actin Cytoskeleton Dynamics and Cellular Behavior
Authors: Li Ying , Zhuang Xiaoru , Niu Fuzhou
Published: November 2022

Actin cytoskeleton reorganization, which is governed by actin-associated proteins, has a close relationship with the change of cell biological behavior. However, a perceived understanding of how actin mechanical property links to cell biological property remains unclear. This paper reports a label-free biomarker to indicate this interrelationship by using the actin cytoskeleton model and optical tweezers (OT) manipulation technology. Both biophysical and biochemical methods were employed, respectively, as stimuli for two case studies. By comparing the mechanical and biological experiment results of the leukemia cells under electrical field exposure and human mesenchymal stem cells (hMSC) under adipogenesis differentiation, we concluded that β-actin can function as an indicator in characterizing the alteration of cellular biological behavior during the change of actin cytoskeleton mechanical property. This study demonstrated an effective way to probe a quantitative understanding of how actin cytoskeleton reorganization reflects the interrelation between cell mechanical property and cell biological behavior.
Constant-Power versus Constant-Voltage Actuation in Frequency Sweeps for Acoustofluidic Applications
Authors: Lickert Fabian , Bruus Henrik , Rossi Massimiliano
Published: November 2022

Supplying a piezoelectric transducer with constant voltage or constant power during a frequency sweep can lead to different results in the determination of the acoustofluidic resonance frequencies, which are observed when studying the acoustophoretic displacements and velocities of particles suspended in a liquid-filled microchannel. In this work, three cases are considered: (1) Constant input voltage into the power amplifier, (2) constant voltage across the piezoelectric transducer, and (3) constant average power dissipation in the transducer. For each case, the measured and the simulated responses are compared, and good agreement is obtained. It is shown that Case 1, the simplest and most frequently used approach, is largely affected by the impedance of the used amplifier and wiring, so it is therefore not suitable for a reproducible characterization of the intrinsic properties of the acoustofluidic device. Case 2 strongly favors resonances at frequencies yielding the lowest impedance of the piezoelectric transducer, so small details in the acoustic response at frequencies far from the transducer resonance can easily be missed. Case 3 provides the most reliable approach, revealing both the resonant frequency, where the power-efficiency is the highest, as well as other secondary resonances across the spectrum.
Design and Performance of a Spatial 6-RRRR Compliant Parallel Nanopositioning Stage
Authors: Wang Ruizhou , Wu Heng
Published: November 2022

Piezoelectric actuators (PEAs) and compliant parallel mechanisms (CPMs) are advantageous for designing nanopositioning stages (NPSs) with multiple degrees of freedom (multi-DOFs). This paper proposes a new NPS that uses PEAs and CPMs with multiple spatial DOFs. First, the design of the mechanism is introduced. Six parallel kinematics revolute-revolute-revolute-revolute (RRRR) branched chains were used to create a 6-RRRR CPM for superior mechanical performance. Three in-plane and three out-of-plane chains were combined using a two-in-one structure to ensure fabrication feasibility. A two-in-one 6-RRRR CPM was employed to build the proposed NPS. Second, the mechanical performance was analyzed. High-efficiency finite-element modeling approaches were derived using the compliance-based matrix method (CMM) and a pseudo-rigid body model (PRBM). The model included both 6-RRRR CPM and NPS. The simulation results validated the static and dynamic performance, and the experimental results verified the kinematics. Based on the newly designed mechanism and verified mechanical performance, the proposed 6-RRRR NPS contributes to the development of spatial multi-DOF NPSs using PEAs and CPMs.
Aerial Oxygen-Driven Selenocyclization of O-Vinylanilides Mediated by Coupled Fe3+/Fe2+ and I2/I− Redox Cycles
Authors: Zhang Hao-Yuan , Zeng Tong-Tong , Xie Zhen-Biao , Dong Ying-Ying , Ma Cha , Gong Shan-Shan , Sun Qi
Published: November 2022

In the past decade, selenocyclization has been extensively exploited for the preparation of a wide range of selenylated heterocycles with versatile activities. Previously, selenium electrophile-based and FeCl3-promoted methods were employed for the synthesis of selenylated benzoxazines. However, these methods are limited by starting material availability and low atomic economy, respectively. Inspired by the recent catalytic selenocyclization approaches based on distinctive pathways, we rationally constructed an efficient and greener double-redox catalytic system for the access to diverse selenylated benzoxazines. The coupling of I2/I− and Fe3+/Fe2+ catalytic redox cycles enables aerial O2 to act as the driving force to promote the selenocyclization. Control and test redox experiments confirmed the roles of each component in the catalytic system, and a PhSeI-based pathway is proposed for the selenocyclization process.
Characterization of Conyza bonariensis Allelochemicals against Broomrape Weeds
Authors: Peralta Antonio Cala , Soriano Gabriele , Zorrilla Jesús G. , Masi Marco , Cimmino Alessio , Fernández-Aparicio Mónica
Published: November 2022

The study of allelopathic activity of plants and the isolation and characterization of the responsible allelochemicals can lead to the development of environment friendly alternative approaches to weed control. Conyza species are invasive weeds that use allelopathic activity as part of a successful strategy to outcompete neighboring plants. Broomrape weeds are parasitic plants that use host-induced germination and the formation of a haustorium as strategies to infect host plants. The control of broomrape infection in most affected crops is limited or non-existing. In the current study, we investigated the allelopathic activity of Conyza bonariensis organic extracts in suicidal germination and radicle growth of four broomrape species (Orobanche crenata, Orobanche cumana, Orobanche minor and Phelipanche ramosa). A bioactivity-driven fractionation of Conyza bonariensis extracts led to the identification of two germination-inducing molecules and two growth-inhibitory compounds. The germination-inducing metabolites had species-specific activity being hispidulin active on seeds of O. cumana and methyl 4-hydroxybenzoate active in P. ramosa. The growth-inhibitory metabolites (4Z)-lachnophyllum lactone and (4Z,8Z)-matricaria lactone strongly inhibited the radicle growth of all parasitic weed species studied. Some structure–activity relationships were found as result of the study herein presented.
Effect of Sonication on Microwave Inactivation Kinetics of Enterococcus faecalis in Dairy Effluent
Authors: Kernou Ourdia-Nouara , Belbahi Amine , Sahraoui Yasmine , Bedjaoui Kenza , Kerdouche Kamelia , Amir Akila , Dahmoune Farid , Madani Khodir , Rijo Patricia
Published: November 2022

The aim of this study is to inactivate Enterococcus faecalis ATCC 29212 present in dairy wastewater effluent using microwave (MW) waves and/or ultrasound waves (US). The ultrasonic bath treatment (35 kHz) had no significant effect on the reduction of the survival rate (predominant declumping effect). At 650 W of microwave treatment, the total destruction was completed at 75 s, while at 350 W a 3 log reduction was achieved. The Weibull model was fitted to the survival curves to describe the inactivation kinetics, and the effect of the combined microwave-ultrasound treatments was evaluated. The scaling parameter α that was estimated from the inactivation kinetics for the microwaves combined with the ultrasound waves in pre-treatment was found to be lower than the scaling parameters obtained in post-treatment, which were in turn lower than those estimated for microwaves or ultrasound waves alone. The use of the ultrasound waves in pre-treatment was more effective than in post-treatment; a total reduction was achieved using a combination of US (30 min) followed by MW (650 W) with α = 28.3 s, while 4.0 log was obtained by reversing all processes with α = 34.5 s. The results from the protein assays indicate that the bacterial wall was damaged and that holes were formed from which protein leakage occurred.
Choline Chloride-Based Deep Eutectic Solvents as Green Effective Medium for Quaternization Reactions
Authors: Bušić Valentina , Molnar Maja , Tomičić Vice , Božanović Dalia , Jerković Igor , Gašo-Sokač Dajana
Published: November 2022

The Menshutkin reaction represents the alkylation of tertiary amines by alkyl halide where the reactants are neutral and the products, quaternary ammonium salts, are two ions with opposite signs. The most commonly used organic solvents in quaternization reactions are volatile organic solvents (VOSs), namely acetone, anhydrous benzene, dry dichloromethane (DCM), dimethylformamide (DMF) and acetonitrile (ACN). The purpose of this work was to examine eutectic solvents as a “greener” alternative to conventional solvents so that quaternization reactions take place in accordance with the principles of green chemistry. Herein, sixteen eutectic solvents were used as replacements for volatile organic ones in quaternization reactions of isonicotinamide with substituted phenacyl bromides. The reactions were carried out at 80 °C by three synthetic approaches: conventional (4–6 h), microwave (20 min) and ultrasound (3 h). Microwave-assisted organic reactions produced the highest yields, where in several reactions, the yield was almost quantitative. The most suitable eutectic solvents were based on choline chloride (ChCl) as the hydrogen bond acceptor (HBA) and glycerol, oxalic or levulinic acid as hydrogen bond donors (HBDs). The benefits of these three deep eutectic solvents (DESs) as a medium for quaternization reactions are the simplicity of their preparation for large-scale production, with inexpensive, available and nontoxic starting materials, as well as their biodegradability.
Production of High-Quality Red Fruit Juices by Athermal Membrane Processes
Authors: Morelli Rosanna , Conidi Carmela , Tundis Rosa , Loizzo Monica R. , D’Avella Massimo , Timpone Rosario , Cassano Alfredo
Published: November 2022

Membrane-based processes are increasingly used to clarify and concentrate thermo-sensitive fruit juices and plant extracts as alternatives to conventional processes. This work aimed to evaluate the quality of red fruit juices clarified and concentrated by an integrated membrane process with special regard to the preservation of valuable compounds. A red fruit juice obtained from a blend of pomegranate, cactus pear, and red orange juices of Sicilian origin was clarified by microfiltration (MF) and then pre-concentrated up to 33 °Brix by nanofiltration (NF). The pre-concentrated juice was finally concentrated by osmotic distillation (OD) up to 50 and 60 °Brix. Samples of clarified, pre-concentrated, and concentrated juice were analyzed for their physico-chemical composition and in terms of the antioxidant activity and inhibitory activity against α-amylase and lipase. The results clearly confirmed the assumption of a mild fruit juice processing method, allowing us to preserve the original nutritional and functional properties of the fresh juice. In particular, the OD retentate at 60 °Brix resulted the most active sample against pancreatic lipase and α-amylase inhibitory activity with IC50 values of 44.36 and 214.65 μg/mL, respectively.
Organic/Inorganic Species Synergistically Supported Unprecedented Vanadomolybdates
Authors: Chang Tian , Qu Di , Li Bao , Wu Lixin
Published: November 2022

Vanadomolybdates (VMos), comprised of Mo and V in high valences with O bridges, are one of the most important types of polyoxometalates (POMs), which have high activity due to their strong capabilities of gaining/losing electrons. Compared with other POMs, the preparation of VMos is difficult due to their relatively low structural stability, especially those with unclassical architectures. To overcome this shortcoming, in this study, triol ligands were applied to synthesize VMos through a beaker reaction in the presence of V2O5, Na2MoO4, and organic species in the aqueous solution. The single-crystal X-ray diffraction results indicate that two VMo clusters, Na4{V5Mo2O19[CH3C(CH2O)3]}∙13H2O and Na4{V5Mo2O19[CH3CH2C(CH2O)3]}∙13H2O, with a similar architecture, were synthesized, which were both stabilized by triol ligand and {MoO6} polyhedron. Both clusters are composed of five V ions and one Mo ion in a classical Lindqvist arrangement with an additional Mo ion, showing an unprecedented hepta-nuclear VMo structure. The counter Na+ cations assemble into one-dimensional channels, which facilitates the transport of protons and was further confirmed by proton conductivity experiments. The present results provide a new strategy to prepare and stabilize VMos, which is applicable for developing other compounds, especially those with untraditional architectures.
Comparison of Intermolecular Interactions of Irreversible and Reversible Inhibitors with Bruton’s Tyrosine Kinase via Molecular Dynamics Simulations
Authors: Yu Xiangfan , Qiu Simei , Sun Dongshan , Guo Pei , Li Quhuan
Published: November 2022

Bruton’s tyrosine kinase (BTK) is a key protein from the TEC family and is involved in B-cell lymphoma occurrence and development. Targeting BTK is therefore an effective strategy for B-cell lymphoma treatment. Since previous studies on BTK have been limited to structure-function analyses of static protein structures, the dynamics of conformational change of BTK upon inhibitor binding remain unclear. Here, molecular dynamics simulations were conducted to investigate the molecular mechanisms of association and dissociation of a reversible (ARQ531) and irreversible (ibrutinib) small-molecule inhibitor to/from BTK. The results indicated that the BTK kinase domain was found to be locked in an inactive state through local conformational changes in the DFG motif, and P-, A-, and gatekeeper loops. The binding of the inhibitors drove the outward rotation of the C-helix, resulting in the upfolded state of Trp395 and the formation of the salt bridge of Glu445-Arg544, which maintained the inactive conformation state. Met477 and Glu475 in the hinge region were found to be the key residues for inhibitor binding. These findings can be used to evaluate the inhibitory activity of the pharmacophore and applied to the design of effective BTK inhibitors. In addition, the drug resistance to the irreversible inhibitor Ibrutinib was mainly from the strong interaction of Cys481, which was evidenced by the mutational experiment, and further confirmed by the measurement of rupture force and rupture times from steered molecular dynamics simulation. Our results provide mechanistic insights into resistance against BTK-targeting drugs and the key interaction sites for the development of high-quality BTK inhibitors. The steered dynamics simulation also offers a means to rapidly assess the binding capacity of newly designed inhibitors.
Small Molecule BRD4 Inhibitors Apabetalone and JQ1 Rescues Endothelial Cells Dysfunction, Protects Monolayer Integrity and Reduces Midkine Expression
Authors: Shahid Sidra , Pantakani Marlena , Binder Lutz , Fischer Andreas , Pantakani Krishna , Asif Abdul R.
Published: November 2022

NF-κB signaling is a key regulator of inflammation and atherosclerosis. NF-κB cooperates with bromodomain-containing protein 4 (BRD4), a transcriptional and epigenetic regulator, in endothelial inflammation. This study aimed to investigate whether BRD4 inhibition would prevent the proinflammatory response towards TNF-α in endothelial cells. We used TNF-α treatment of human umbilical cord-derived vascular endothelial cells to create an in vitro inflammatory model system. Two small molecule inhibitors of BRD4—namely, RVX208 (Apabetalone), which is in clinical trials for the treatment of atherosclerosis, and JQ1—were used to analyze the effect of BRD4 inhibition on endothelial inflammation and barrier integrity. BRD4 inhibition reduced the expression of proinflammatory markers such as SELE, VCAM-I, and IL6 in endothelial cells and prevented TNF-α-induced endothelial tight junction hyperpermeability. Endothelial inflammation was associated with increased expression of the heparin-binding growth factor midkine. BRD4 inhibition reduced midkine expression and normalized endothelial permeability upon TNF-α treatment. In conclusion, we identified that TNF-α increased midkine expression and compromised tight junction integrity in endothelial cells, which was preventable by pharmacological BRD4 inhibition.
Using Online 24-h Dietary Methodology to Validate the Psychometric Properties of a Dietary Scoring Tool with an International Sample of Adults Living with Multiple Sclerosis
Authors: Guan Vivienne , Simpson-Yap Steve , Nag Nupur , Jelinek George , Neate Sandra , Probst Yasmine
Published: November 2022

Understanding the dietary characteristics of people living with multiple sclerosis (plwMS) may assist in the planning of nutrition interventions for multiple sclerosis; yet dietary assessment methods in existing studies are not well established. The aim of this study was to validate the psychometric properties (construct validity and internal consistency) of the Dietary Habits Questionnaire (DHQ) against repeated online 24-h recall dietary assessments. The DHQ is a 24-item tool that is scored using ten dietary sub-scores. Total DHQ scores can range from 20–100 and are considered indicative of the quality of dietary intake with higher scores reflecting increased quality. People living with a relapsing-remitting MS phenotype who had completed a modified DHQ were recruited from the international Health Outcomes and Lifestyle In a Sample of people with Multiple sclerosis (HOLISM) cohort. Repeated 24-h recall via the online Automated Self-administered Assessment-24 (ASA-24) tool were modelled to reflect usual dietary intakes using the Multiple Source Method. DHQ scores of eight sub-scores: three key nutrients, three food groups and two food preparation practices, were calculated and statistically compared with ASA-24 usual intake data. Principal component analysis of the ASA-24 data was undertaken to understand dietary patterns of the sample. Of the 105 participants, valid 24-h recall data were available for 96 plwMS (n = 66 1 day, n = 30 ≥ 2 day). The median total DHQ score was 84.50 (IQR: 77.04, 91.83) points. The highest absolute correlations were between the DHQ scores and ASA-24 data for cereal (r = 0.395, p < 0.001), fruit and vegetables (r = 0.436, p < 0.001), and total dietary fiber (r = 0.482, p < 0.001). Five dietary patterns emerged from the data explaining 42.12% variance and reflecting exposure of plwMS to the influence of ‘MS diets’. The DHQ appears to be appropriate for screening participants with relapsing-remitting MS. Evidence-based dietary models focusing on food are required to monitor the quality of an overall dietary pattern and set priorities for the planning nutrition interventions for plwMS.
Investigating Causal Associations of Circulating Micronutrients Concentrations with the Risk of Lung Cancer: A Mendelian Randomization Study
Authors: Yan Haihao , Jin Xiao , Yin Linlin , Zhu Changjun , Feng Ganzhu
Published: November 2022

Previous observational studies have suggested that the effect of diet-derived circulating micronutrient concentrations on lung cancer (LC) risk is controversial. We conducted a two-sample Mendelian randomization (MR) analysis to investigate the causal relationship between circulating micronutrient concentrations and the overall risk of LC and three LC subtypes (namely lung adenocarcinoma (LA), squamous cell lung cancer (SqCLC), and small cell lung cancer (SCLC)). The instrumental variables (IVs) of 11 micronutrients (beta-carotene, calcium, copper, folate, lycopene, magnesium, phosphorus, retinol, selenium, zinc, and vitamin B6) were screened from the published genome-wide association studies (GWAS). Summary statistics related to LC and its subtypes came from the largest meta-analysis, including 29,266 cases and 56,450 controls. Inverse-variance weighted (IVW) method is used as the main MR analysis, and the sensitivity analysis is carried out to ensure the MR assumptions. This MR study found suggestive evidence that genetically predicted 6 circulating micronutrient concentrations was correlated with the risk of overall LC (odds ratio (OR): 1.394, 95% confidence interval (CI): 1.041–1.868, p = 0.026, phosphorus), LA (OR: 0.794, 95% CI: 0.634–0.995, p = 0.045, beta-carotene; OR: 0.687, 95%CI: 0.494–0.957, p = 0.026, calcium), SqCLC (OR: 0.354, 95% CI: 0.145–0.865, p = 0.023, retinol), and SCLC (OR: 1.267, 95% CI: 1.040–1.543, p = 0.019, copper; OR: 0.801, 95% CI: 0.679–0.944, p = 0.008, zinc). We found no evidence that other micronutrients are associated with the risk of overall LC or its subtypes. Our study suggested that the increase in circulating beta-carotene, calcium, retinol, and zinc concentration may reduce the risk of LC; the increase in circulating copper and phosphorus concentration may be related to the increased risk of LC. In the future, larger replication samples of LC genetic data and larger micronutrient-related GWAS will be needed to verify our findings.
Nutritional Support in Pancreatic Diseases
Authors: Cañamares-Orbís Pablo , García-Rayado Guillermo , Alfaro-Almajano Enrique
Published: November 2022

This review summarizes the main pancreatic diseases from a nutritional approach. Nutrition is a cornerstone of pancreatic disease and is sometimes undervalued. An early identification of malnutrition is the first step in maintaining an adequate nutritional status in acute pancreatitis, chronic pancreatitis and pancreatic cancer. Following a proper diet is a pillar in the treatment of pancreatic diseases and, often, nutritional counseling becomes essential. In addition, some patients will require oral nutritional supplements and fat-soluble vitamins to combat certain deficiencies. Other patients will require enteral nutrition by nasoenteric tube or total parenteral nutrition in order to maintain the requirements, depending on the pathology and its consequences. Pancreatic exocrine insufficiency, defined as a significant decrease in pancreatic enzymes or bicarbonate until the digestive function is impaired, is common in pancreatic diseases and is the main cause of malnutrition. Pancreatic enzymes therapy allows for the management of these patients. Nutrition can improve the nutritional status and quality of life of these patients and may even improve life expectancy in patients with pancreatic cancer. For this reason, nutrition must maintain the importance it deserves.
Consumer Attitudes and Purchase Intentions in Relation to Animal Welfare-Friendly Products: Evidence from Taiwan
Authors: Chang Min-Yen , Chen Han-Shen
Published: November 2022

Animal welfare, environmental sustainability, and food safety have become topics of international concern. With the rise of friendly rearing and green consumption consciousness, consumers can use animal welfare certification labels as references to make purchase decisions. This study adopts the theory of planned behavior (TPB) as its core and incorporates variables, such as moral affection, health consciousness, and trust in certification, to discuss the thoughts of Taiwanese consumers on buying animal welfare-friendly products and the factors that affect their purchase decisions. This study will be conducive in clarifying the consumption behavioral pattern of animal welfare-friendly products, which previous literature has mentioned but not tested, thereby filling this literature gap. This study collects 653 valid questionnaires and uses the partial least square-structural equation modeling to analyze the correlations between various variables. The research findings indicate the following. (1) Consumers’ attitudes, subjective norms, and perceived behavioral control have significant and positive influences on the behavioral intention of purchasing fresh milk with animal welfare labels. (2) Moral affection positively influences customers’ behavioral intention toward fresh milk with an animal welfare label through attitudes, subjective norms, and perceived behavioral control. (3) Trust in certifications will enhance moral cognition and positive attitudes toward fresh milk with animal welfare labels. According to the research findings of this study, we recommend that businesses strengthen the promotion of dairy products in line with friendly rearing, environmental sustainability, and other ethical consumption concepts to generate market segregation elements.
Effect of Tetragonia tetragonoides (Pall.) Kuntze Extract on Andropause Symptoms
Authors: Lee Ka Youn , Kim Seung-Hyung , Yang Won-Kyung , Lee Geung-Joo
Published: November 2022

Testosterone and free testosterone levels decrease in men as they age, consequently inducing andropause symptoms, such as weight gain, fatigue, and depression. Therefore, this study aimed to evaluate the reducing effect of New Zealand spinach (NZS) on these androgenic symptoms by orally administering its extract to 26-week-old rats for four weeks. Biochemical blood testing was conducted, and the andropause symptoms-related indicators and muscular endurance levels were examined. In the NZS extract-treated rats, the decrease in muscle mass was suppressed, and immobility time was reduced in the forced swim test. In addition, the grip force and muscular endurance of the forelimbs were significantly increased compared to the control group; therefore, NZS extract exhibits a positive effect on the maintenance of muscle mass and improves muscular endurance. The representative male hormones, testosterone and progesterone, in the NZS extract-treated group were 1.84 times and 2.48 times higher than those in the control groups, respectively. Moreover, cholesterol and low-density lipoprotein, which affect lipid metabolism, were significantly reduced in the NZS extract-treated group. Overall, NZS extract shows potential for further development as a functional food material for improving muscle strength and relieving andropause symptoms.
The Immunological Role of Milk Fat Globule Membrane
Authors: Cavaletto Maria , Givonetti Annalisa , Cattaneo Chiara
Published: November 2022

Human milk is the ideal food for newborns until the age of six months. Human milk can be defined as a dynamic living tissue, containing immunological molecules, such as immunoglobulins, supra-molecular structures, such as the milk fat globule membrane (MFGM), and even entire cells, such as the milk microbiota. The milk composition changes throughout lactation to fulfill the infant’s requirements and reflect the healthy/disease status of the lactating mother. Many bioactive milk components are either soluble or bound to the MFGM. In this work, we focus on the peculiar role of the MFGM components, from their structural organization in fat globules to their route into the gastrointestinal tract. Immunometabolic differences between human and bovine MFGM components are reported and the advantages of supplementing infant formula with the MFGM are highlighted.