bluuebunny/crossref_metadata_2025 huggingface dataset:
Euthanasia Complications in Non-Domestic Species
Authors: Hepps Keeney Caitlin , Harrison Tara M.
Published: November 2022

There are very few studies describing euthanasia complications in non-domestic species. The goal of this study was to survey veterinarians to determine what complications may commonly occur during the euthanasia of non-domestic species. An online survey was sent to seven professional organization listservs containing veterinarians most likely to practice on non-domestic species. Forty-one cases of euthanasia complications were reported. The most common taxa reported were mammals, (23/41, 56%), followed by avian (8/41, 20%), reptile (7/41, 17%), and fish (3/41, 7%). Most animals were reported to have been anesthetized prior to euthanasia (28/41, 68%). The most common method of euthanasia was pentobarbital (27/41, 66%). The reported euthanasia complications included “took an excessive amount of euthanasia solution” (12/41, 29%), “heart would not stop” (9/41, 22%), “animal awoke at a later time” (4/41, 10%), “a secondary method of euthanasia was required” (4/41, 10%), and “other” (12/41, 29%). This study reports complications that can occur during the euthanasia of non-domestic species. The concept of dysthanasia, a euthanasia with an undesirable outcome, has not been previously discussed in the context of zoo, wildlife, aquarium, and exotic pet practice. Strategies to reduce dysthanasia from both animal and human perspectives are explored, including alternative euthanasia techniques, principal-based euthanasia, and mental health implications.
Exploiting Partial Solubility in Partially Fluorinated Thermoplastic Blends to Improve Adhesion during Fused Deposition Modeling
Authors: Saldaña-Baqué Pau , Strutton Jared W. , Shankar Rahul , Morgan Sarah E. , McCollum Jena M.
Published: November 2022

This work studies the effect of interlayer adhesion on mechanical performance of fluorinated thermoplastics produced by fused deposition modeling (FDM). Here, we study the anisotropic mechanical response of 3D-printed binary blends of poly (vinylidene fluoride) (PVDF) and poly (methyl methacrylate) (PMMA) with the isotropic mechanical response of these blends fabricated via injection molding. Various PVDF/PMMA filament compositions were produced by twin-screw extrusion and, subsequently, injection-molded or 3D printed into dog-bone shapes. Specimen mechanical and thermal properties were evaluated by mode I tensile testing and differential scanning calorimetry, respectively. Results show that higher PMMA concentration not only improved the tensile strength and decreased ductility but reduced PVDF crystallization. As expected, injection-molded samples revealed better mechanical properties compared to 3D printed specimens. Interestingly, 3D printed blends with lower PMMA content demonstrated better diffusion (adhesion) across interfaces than those with a higher amount of PMMA. The present study provides new findings that may be used to tune mechanical response in 3D printed fluorinated thermoplastics, particularly for energy applications.
A Study on the Through-Plane Permeability of Anisotropic Fibrous Porous Material by Fractal Stochastic Method
Authors: Xu Yao , Xu Lianlian , Qiu Shuxia , Jiang Zhouting , Rao Binqi , Xu Peng
Published: November 2022

The through-plane permeability is of great importance for understanding the transport phenomenon in anisotropic fibrous porous material. In this paper, a novel pore-scale model based on the equilateral triangle representative unit cell (RUC) and capillary bundle model is developed for the fluid flow through the anisotropic fibrous porous material according to fractal theory, and the effective through-plane permeability is presented accordingly. The digital structures of the fibrous porous material are generated by a fractal stochastic method (FSM), and the single-phase fluid flow through the 3D-reconstructed model is simulated by using the finite element method (FEM). It was found that the effective through-plane permeability depends on the fiber column size, porosity, and fractal dimensions for pore and tortuosity. The results show that the predicted through-plane permeability by the present fractal model indicates good agreement with numerical results and available experimental data as well as empirical formulas. The dimensionless through-plane permeability is positively correlated with the porosity and negatively correlated with the fractal dimensions for pore and tortuosity at certain porosity.
Influence of Magnetic Field and Temperature on Rheological Behavior of Magnetorheological Gel
Authors: Sun Min , Li Xiangdong , Zhou Zhou , Deng Ran , Chen Xu , Wang Jiong , Mao Runsong
Published: November 2022

In this paper, the effect of temperature on rheological properties of magnetorheological (MR) gel is investigated under rotational steady shear and oscillatory dynamic shear. A kind of fluid-like MR gel (MRG) was firstly synthesized by mixing carbonyl iron powder (CIP) with polymer matrix. Then, the relationship between yield stress, normal stress of MRG and shear rate under six temperatures and four magnetic field strengths were studied by rotational shear experiments. The results demonstrate that the dependence of shear stress on temperature displays an opposite tendency in comparison with that of normal stress on temperature. Moreover, maximum yield stress, one of the most important parameter of MR materials, decreases with the increment of temperature. Under oscillatory dynamic shear test, storage and loss moduli and normal stress of MRG all increase with temperature when a magnetic field is applied, which presents a contrary trend in the absence of a magnetic field. Related mechanisms about the alternation of microstructures of MRG were proposed to explain the above-mentioned phenomena. This paper is helpful in fabricating semi-active engineering devices using MR materials as a medium.
Evaluation of Different Tools of Precision Finishing for Sun Gear with Inner-Outer Tooth Shapes
Authors: Liang Qiang , Zhang Xianming , Liu Yunqi , Zhou Jie , Liu Zuofa
Published: November 2022

Aiming at the technical difficulty of poor teeth accuracy of the extruded sun gears, an innovative precision finishing approach was developed as the subsequent process of producing high-quality sun gears, and three finishing tools were designed, namely mandrel with gap, mandrel without gap and interference mandrel. A finite element prediction method was proposed by using the post-processing toolbox of DEFORM software to study the distribution laws of outer and inner teeth deviations of the reshaped sun gear. Moreover, the effects of various precision finishing tools on the formability of sun gear (such as tooth deformation, tool stress and tooth accuracy) were investigated. The results show that the tooth accuracy class of the reshaped outer teeth in profile and helix were seventh and eighth, respectively, and the total M-value error of the inner teeth was decreased to 72.3 μm and the reduction ratio was 73.8% by adopting the interference mandrel, which indicates that the finishing effect of the interference mandrel was better than that of mandrels for both with gap and without gap, and the forming accuracy of the finished teeth could be considerably improved. Therefore, the interference mandrel can be recommended as the optimum finishing tool in the manufacture of precision sun gears. The simulated results were in good agreement with experimental ones within a maximum error of 14.4%, which proves the practicability of the sizing approach and the dependability of the finite element prediction method.
Research on the Working Performance and the Corresponding Mechanical Strength of Polyaluminum Sulfate Early Strength Alkali-Free Liquid Accelerator Matrix Cement
Authors: Wang Lin , He Xinxin , Shu Chunxue , Wei Zicheng , Wang Hui
Published: November 2022

Liquid accelerating agents have the advantages of simple operation and fast construction, and have become indispensable admixtures in shotcrete. However, most liquid accelerating agents in the market at present contain alkali or fluorine, which adversely affect concrete and seriously threaten the physical and mental health of workers. Therefore, in view of the above deficiencies, it is necessary to develop a new type of alkali-free fluorine-free liquid accelerating agent. In this paper, the polyaluminum sulfate early strength alkali-free liquid accelerator is prepared using polymeric aluminum sulfate, diethanolamine, magnesium sulfate heptahydrate and nano-silica. The influence of this agent on the setting time of fresh cement paste and compressive strength of the corresponding cement mortar is determined. Thermogravimetric analysis curves, X-ray diffraction and scanning electron microscopy images are obtained to investigate the mechanism. Findings show that the initial setting time and the final setting time of cement paste are 2 min 30 s and 7 min 25 s. The compressive strengths of cement mortar cured for 1 d, 28 d and 90 d are 2.4 MPa, 52.2 MPa and 54.3 MPa respectively. Additionally, the corresponding flexural strengths are 3.4 MPa, 9.8 MPa, 11.8 MPa. When the mass rate of accelerator is 7%, the mechanical strengths of cement mortar are the highest. The additions of fly ash and blast furnace slag can affect the mechanical of cement mortar mixed with accelerator. When the mass ratio of the fly ash and blast furnace slag is 15%, the mechanical strengths of cement mortar reach the highest. Moreover, the hydration heat release rate of cement is increased by the accelerator and the corresponding time of hydration heat peak is decreased by the accelerator. The accelerator can decrease the amount of needle-like hydration products and improve the compactness. The mechanical strengths are improved by consuming a large amount of Ca(OH)2 and forming more compact hydration products. It is recommended that the optimum dosage range of the polyaluminum sulfate early strength alkali-free liquid accelerator is 7%.
Surface Relief Modulated Grating in Azo Polymer—From the Tailoring of Diffraction Order to Reshaping of a Laser Beam
Authors: Kozanecka-Szmigiel Anna , Hernik Aleksandra , Rutkowska Katarzyna , Konieczkowska Jolanta , Schab-Balcerzak Ewa , Szmigiel Dariusz
Published: November 2022

Among light-responsive materials for photonics, azo polymers occupy an important position due to their optical response and the related concepts of consecutive applications. However, scientific insight is still needed to understand the effects of irradiation on the modification of the azo polymer structure and the effect of this modification on incoming probing light. In this work, we report on a surface relief grating with a maximum depth of a record-high value of 1.7 µm, inscribed holographically in a custom synthesized glassy azo polymer belonging to the poly(ether imide) family. We show that the specifically deformed polymer, forming an amplitude-modulated relief grating, has a unique dual effect on an incoming light beam of different diameters. When illuminated by a narrow probe beam, the structure acts as a variable-depth grating, enabling a continuous tuning of the diffraction efficiencies in the entire theoretically predicted range and, thus, generating or eliminating diffracted waves of specified order. Alternatively, when illuminated by a wide probe beam, the whole structure acts as an optical component reshaping the Gaussian light intensity profile into the profiles resembling the squares of Bessel functions of the zeroth- or higher orders. Moreover, a physical justification of the effects observed is provided.
Achievements and Perspectives on Fe-Based Shape Memory Alloys for Rehabilitation of Reinforced Concrete Bridges: An Overview
Authors: Qiang Xuhong , Chen Longlong , Jiang Xu
Published: November 2022

Reinforced concrete (RC) bridges often face great demands of strengthening or repair during their service life. Fe-based shape memory alloys (Fe-SMAs) as a kind of low-cost smart materials have great potential to enhance civil engineering structures. The stable shape memory effect of Fe-SMAs is generated by, taking Fe-Mn-Si alloys as an example, the martensite transformation of fcc(γ) → hcp(ε) and its reverse transformation which produces considerable recovery stress (400~500 MPa) that can be used as prestress for reinforcement of RC bridges. In this work, the mechanism, techniques, and applications of Fe-SMAs in the reinforcement of RC beams in the past two decades are classified and introduced in detail. Finally, some new perspectives on Fe-SMAs application in civil engineering and their expected evolution are proposed. This paper offers an effective active rehabilitation alternative for the traditional passive strengthening method of RC bridges.
Resin-Based Bulk-Fill Composites: Tried and Tested, New Trends, and Evaluation Compared to Human Dentin
Authors: Ilie Nicoleta
Published: November 2022

A more-and-more-accepted alternative to the time-consuming and technique-sensitive, classic, incremental-layering technique of resin-based composites (RBCs) is their placement in large increments. The so-called bulk-fill RBCs had to be modified for a higher polymerization depth and already have a 20-year history behind them. From the initial simple mechanisms of increasing the depth of cure by increasing their translucency, bulk-fill RBCs have evolved into complex materials with novel polymerization mechanisms and bioactive properties. However, since the materials are intended to replace the tooth structure, they must be comparable in mechanical behavior to the substance they replace. The study compares already established bulk-fill RBCs with newer, less-studied materials and establishes their relationship to dentin with regard to basic material properties such as hardness and indentation modulus. Instrumented indentation testing enables a direct comparison of tooth and material substrates and provides clinically relevant information. The results underline the strong dependence of the measured properties on the amount of filler in contrast to the small influence of the material classes into which they are classified. The main difference of RBCs compared to dentin is a comparable hardness but a much lower indentation modulus, emphasizing further development potential.
Structural Characterization and In Vivo Anti-Inflammatory Activity of Fucoidan from Cystoseira crinita (Desf.) Borry
Authors: Apostolova Elisaveta , Lukova Paolina , Baldzhieva Alexandra , Delattre Cédric , Molinié Roland , Petit Emmanuel , Elboutachfaiti Redouan , Nikolova Mariana , Iliev Ilia , Murdjeva Marianna , Kokova Vesela
Published: November 2022

The aim of this study was to evaluate the effects of fucoidan isolated from C. crinita on histamine-induced paw inflammation in rats, and on the serum levels of TNF-α, IL-1β, IL-6, and IL-10 in rats during systemic inflammation response. The levels of TNF-α in a model of acute peritonitis in rats were also investigated. The isolated crude fucoidan was identified as a sulfated xylogalactofucan with high, medium, and low molecular weight fractions and a content of fucose of 39.74%, xylose of 20.75%, and galactose of 15.51%. Fucoidan from C. crinita showed better anti-inflammatory effects in the rat paw edema model, and this effect was present during all stages of the experiment. When compared to controls, a commercial fucoidan from F. vesiculosus, the results also displayed anti-inflammatory activity on the 60th, 90th, and 120th minute of the experiment. A significant decrease in serum levels of IL-1β in rats treated with both doses of C. crinita fucoidan was observed in comparison to controls, whereas TNF-α concentrations were reduced only in the group treated with fucoidan from C. crinita at the dose of 25 mg/kg bw. In the model of carrageenan-induced peritonitis, we observed a tendency of decrease in the levels of the pro-inflammatory cytokine TNF-α in peritoneal fluid after a single dose of C. crinita fucoidan, but this did not reach the statistical significance margin. Single doses of C. crinita fucoidan did not alter serum levels of the anti-inflammatory cytokine IL-10 in animals with lipopolysaccharide-induced systemic inflammation.
Airspace Enlargement with Fibrosis in a Young Heavy Smoker Mimicking Diffuse Cystic Lung Disease
Authors: Bae Kyungsoo , An Hyo Jung , Jeon Kyung Nyeo
Published: November 2022

The widespread use of computed tomography (CT) has led to the increased recognition of cystic lung lesions. Multiple pulmonary cysts can be observed in heterogeneous disorders called diffuse cystic lung diseases (DCLDs), which include pulmonary Langerhans cell histiocytosis, lymphangioleiomyomatosis, lymphocytic interstitial pneumonia, and Birt–Hogg–Dubé syndrome. Recently, airspace enlargement with fibrosis (AEF) has been recognized as an entity on the spectrum of smoking-related lung diseases. We report a young male heavy smoker presenting diffuse pulmonary cysts on chest CT with suspected DCLD. However, histopathological examination of the surgical biopsy specimen revealed dilated emphysematous cysts with prominent mural fibrosis, consistent with AEF.
Analysis of Prior Aspirin Treatment on in-Hospital Outcome of Geriatric COVID-19 Infected Patients
Authors: Zekri-Nechar Khaoula , Barberán José , Zamorano-León José J. , Durbán María , Andrés-Castillo Alcira , Navarro-Cuellar Carlos , López-Farré Antonio , López-de-Andrés Ana , Jiménez-García Rodrigo , Martínez-Martínez Carlos H.
Published: November 2022

Background and Objectives: Aspirin (ASA) is a commonly used antithrombotic drug that has been demonstrated to reduce venous thromboembolism. The aim was to analyze if geriatric COVID-19 patients undergoing a 100 mg/day Aspirin (ASA) treatment prior to hospitalization differ in hospital outcome compared to patients without previous ASA therapy. Materials and Methods: An observational retrospective study was carried out using an anonymized database including geriatric COVID-19 patients (March to April 2020) admitted to Madrid Hospitals Group. A group of COVID-19 patients were treated with low ASA (100 mg/day) prior to COVID-19 infection. Results: Geriatric ASA-treated patients were older (mean age over 70 years; n = 41), had higher frequency of hypertension and hyperlipidemia, and upon admission had higher D-dimer levels than non-ASA-treated patients (mean age over 73 years; n = 160). However, patients under ASA treatment did not show more frequent pulmonary thromboembolism (PE) than non-ASA-treated patients. ASA-treated geriatric COVID-19-infected patients in-hospital < 30 days all-cause mortality was more frequent than in non-ASA-treated COVID-19 patients. In ASA-treated COVID-19-infected geriatric patients, anticoagulant therapy with low molecular weight heparin (LMWH) significantly reduced need of ICU care, but tended to increase in-hospital < 30 days all-cause mortality. Conclusions: Prior treatment with a low dose of ASA in COVID-19-infected geriatric patients increased frequency of in-hospital < 30 days all-cause mortality, although it seemed to not increase PE frequency despite D-dimer levels upon admission being higher than in non-ASA users. In ASA-treated geriatric COVID-19-infected patients, addition of LMWH therapy reduced frequency of ICU care, but tended to increase in-hospital < 30 days all-cause mortality.
Characteristics of Submucous Myomas and the Risk of Anemia
Authors: Ricci Giuseppe , Scrimin Federica , Sartore Andrea , Borelli Massimo , Zito Gabriella , Romano Federico , Stabile Guglielmo
Published: November 2022

Background and Objectives: Uterine fibroids still represent the most common indication for hysterectomy for benign pathologies. In the United States, more than 479,000 hysterectomies are performed annually, 46.6% for myomas and 47.7% in women aged from 18 to 44 years. By applying appropriateness criteria to this procedure, it has been estimated that overuse ranges from 16 to 70%. One of the main reasons that induce patients and gynecologists to consider hysterectomy is represented by severe anemia. Materials and Methods: This is a retrospective cohort study of 202 patients with uterine fibroids diagnosed by transvaginal ultrasound who underwent a hysteroscopic procedure. Myoma grade, size, location, and number were assessed by transvaginal scan and office hysteroscopy and correlated to the pre-treatment hemoglobin level. Results: Univariate analysis showed that anemia does not have a statistically significant association with myoma number and with age considered as a numerical predictor. In the patients with myoma type 0, there is a possibility of 81% having anemia regardless of menorrhagia. On the contrary, in patients with myoma type 1 or type 2, the possibility of having anemia varies according to the presence or absence of menorrhagia. If there is menorrhagia, the risk of moderate anemia is only present for myomas >60 mm. Conclusions: The results of this study may contribute to defining objective criteria for the management of submucous myomas and anemia. Our data suggest that submucosal myomas type 0 >10 mm should always be treated, putting patients at risk for anemia. Myomas type 2 and 3 should be treated for the risk of anemia in the presence of menorrhagia episodes or if > of 60 mm. Adequate management of anemia and myomas could reduce the rate of unnecessary hysterectomies.
Electrodialysis for the Concentration of Lithium-Containing Brines—An Investigation on the Applicability
Authors: Rögener Frank , Tetampel Lena
Published: November 2022

The importance of lithium as a raw material is steadily increasing, especially in the growing markets of grid energy and e-mobility. Today, brines are the most important lithium sources. The rising lithium demand raises concerns over the expandability and the environmental impact of common mining techniques, which are mainly based on the evaporation of brine solutions (Salars) in arid and semiarid areas. In this case, much of the water contained in the brine is lost. Purification processes lead to further water losses of the ecosystems. This calls for new and improved processes for lithium production; one of them is electrodialysis (ED). Electrodialysis offers great potential in accessing lithium from brines in a more environmentally friendly way; furthermore, for the recovery of lithium from spent lithium-ion batteries (LIB), electrodialysis may become a vital technology. The following study focused on investigating the effect of varying brine compositions, different ED operation modes, and limiting factors on the use of ED for concentrating lithium-containing brine solutions. Synthetic lithium salt solutions (LiCl, LiOH) were concentrated using conventional ED in batch-wise operation. While the diluate solution was exchanged once a defined minimum concentration was reached, the concentrate solution was concentrated to the respective maximum. The experiments were conducted using a lab-scale ED-plant (BED1-3 from PCCell GmbH, Germany). The ion-exchange membranes used were PCSK and PCSA. The treated solutions varied in concentration and composition. Parameters such as current density, current efficiency, and energy requirements were evaluated. ED proved highly effective in the concentration of lithium salt solutions. Lithium chloride solutions were concentrated up to approximately 18-fold of the initial concentration. Current efficiencies and current densities depended on voltage, concentration, and the composition of the brine. Overall, the current efficiencies reached maximum values of around 70%. Furthermore, the experiments revealed a water transport of about 0.05 to 0.075% per gram of LiCl transferred from the diluate solution to the concentrate solution.
Research on Optimization Design of Cast Process for TiAl Case Casting
Authors: Zhu Xiaoping , Zhu Chunlei , Lin Baosen , Wang Zidong
Published: November 2022

The effect of the cast process procedure and pouring systems on several typical metallurgical defects for TiAl case casting was studied by numerical simulation and pouring test. The results indicated that gravity casting had much better melt-filling stability and synchronization, compared to centrifugal casting. Misrun defects in the upper edge of the thin-walled outer ring could be removed by increasing the bottom cross runners, and the negative effect of the overheated zone in the thick-walled flange could be reduced by designing a suitable inner-gate structure. The crack induced by stress concentration in the transition zone brought significant challenges for TiAl case casting and the issue would be effectively resolved through structural design and process optimization.
Textile One-Component Organic Electrochemical Sensor for Near-Body Applications
Authors: Brendgen Rike , Graßmann Carsten , Gellner Sandra , Schwarz-Pfeiffer Anne
Published: November 2022

The need for more efficient health services and the trend of a healthy lifestyle pushes the development of smart textiles. Since textiles have always been an object of everyday life, smart textiles promise an extensive user acceptance. Thereby, the manufacture of electrical components based on textile materials is of great interest for applications as biosensors. Organic electrochemical transistors (OECTs) are often used as biosensors for the detection of saline content, adrenaline, glucose, etc., in diverse body fluids. Textile-based OECTs are mostly prepared by combining a liquid electrolyte solution with two separate electro-active yarns that must be precisely arranged in a textile structure. Herein, on the other hand, a biosensor based on a textile single-component organic electrochemical transistor with a hardened electrolyte was developed by common textile technologies such as impregnation and laminating. Its working principle was demonstrated by showing that the herein-produced transistor functions similarly to a switch or an amplifier and that it is able to detect ionic analytes of a saline solution. These findings support the idea of using this new device layout of textile-based OECTs as biosensors in near-body applications, though future work must be carried out to ensure reproducibility and selectivity, and to achieve an increased level of textile integration.
A Non-Invasive Physiological Control System of a Rotary Blood Pump Based on Preload Sensitivity: Use of Frank–Starling-Like Mechanism
Authors: Wang Fangqun , Wang Shaojun , Li Zhijian , He Chenyang , Xu Fan , Jing Teng
Published: November 2022

Implanting rotary blood pumps (RBPs) has become the principal treatment for patients suffering from severe heart failure. There are still many challenges to address for RBP control systems. These problems include meeting the patient’s physiological perfusion, eliminating postoperative complications, as well as debugging the patient’s physiological control system (automatically and indiscriminately). This paper proposes a non-invasive adaptive control system based on the Frank–Starling-like mechanism (NAC-FSL) to solve these problems. This control system uses the motor speed of the rotary blood pump as the only input variable, and the pump flow was estimated by the motor speed for achieving non-invasive detection. Simultaneously, a cardiovascular reference model was developed to provide an appropriate real-time preload for heart failure patients. The Frank–Starling-like control baseline was tracked to obtain the desired reference average pump flow by using the preload. Avoiding suction was done by adopting the control baseline (CLn), which included a flat slope under a high preload. Moreover, the NAC-FSL system could potentially unload the left ventricle and provide a higher pump flow with a smaller error during the exercise state, as compared to the CSC system. Finally, the K value indicating the preload sensitivity in the NAC-FSL controller was optimized to meet the perfusion needs according to the hemodynamic parameters.
Pickering Emulsions as Vehicles for Bioactive Compounds from Essential Oils
Authors: Cahyana Yana , Putri Yunita Safriliani Eka , Solihah Dian Siti , Lutfi Farrah Shabira , Alqurashi Randah Miqbil , Marta Herlina
Published: November 2022

Pickering emulsions are emulsion systems stabilized by solid particles at the interface of oil and water. Pickering emulsions are considered to be natural, biodegradable, and safe, so their applications in various fields—such as food, cosmetics, biomedicine, etc.—are very promising, including as a vehicle for essential oils (EOs). These oils contain volatile and aromatic compounds and have excellent properties, such as antifungal, antibacterial, antiviral, and antioxidant activities. Despite their superior properties, EOs are prone to evaporation, decompose when exposed to light and oxygen, and have low solubility, limiting their industrial applications. Several studies have shown that EOs in Pickering emulsions displays less sensitivity to evaporation and oxidation, stronger antibacterial activity, and increased solubility. In brief, the application of Pickering emulsions for EOs is interesting to explore. This review discusses recent progress in the application of Pickering emulsions, particularly as EO carriers, drug carriers, antioxidant and antimicrobial carriers, and in active packaging.
Octahedral Rhenium Cluster Complexes with 1,2-Bis(4-pyridyl)ethylene and 1,3-Bis(4-pyridyl)propane as Apical Ligands
Authors: Ulantikov Anton A. , Brylev Konstantin A. , Sukhikh Taisiya S. , Mironov Yuri V. , Muravieva Viktoria K. , Gayfulin Yakov M.
Published: November 2022

A series of eight new octahedral rhenium cluster complexes with the general formula trans-[{Re6Q8}L4X2] (Q = S or Se; L = 1,2-Bis(4-pyridyl)ethylene (bpe) or 1,3-Bis(4-pyridyl)propane (bpp); X = Cl or Br) was synthesized and investigated. While bpe is a ligand with a conjugated aromatic system, bpp represents a molecule of opposite type and has independent aromatic systems of the two pyridine rings. It was shown that this difference in the electronic structure of the ligands has a fundamental effect on the electronic structure, electrochemical and luminescent properties of the corresponding cluster complexes. Specifically, the [{Re6Q8}(bpe)4X2] complexes in solutions show multiple quasi-reversible electrochemical transitions associated with reduction of the organic ligands. At the same time, the trans-[{Re6Q8}(bpp)4X2] complexes show multielectron quasi-irreversible reduction processes, which correlate with the mixed character of the lowest unoccupied molecular orbitals of these complexes. All the obtained new compounds exhibit red photoluminescence. The photophysical parameters (emission lifetimes and quantum yields) measured for the bpp complexes exceed those revealed for bpe complexes by more than an order of magnitude.
A Green Approach to 2-Substituted Benzo- and Naphthothiazoles via N-bromosuccinimide/Bromide-Mediated C(aryl)-S Bond Formation
Authors: Brown Ainka T. , Downer-Riley Nadale K.
Published: November 2022

2-Substituted benzo- and naphthothiazoles have been conveniently prepared from the intramolecular cyclization of phenylthioureas and activated thiobenzanilides or the coupling of isothiocyanates with amines under mild conditions using N-bromosuccinimide/tetrabutylammonium bromide in 1,2-dimethoxyethane (DME) under ambient conditions. The reactions produce moderate to excellent yields with good functional group tolerance and avoid the use of harsh thermal conditions, corrosive reagents, halogenated solvents, toxic metal salts, and expensive metal catalysts, and are amenable to preparations on a gram-scale.
Coumarin-Based Dual Inhibitors of Human Carbonic Anhydrases and Monoamine Oxidases Featuring Amino Acyl and (Pseudo)-Dipeptidyl Appendages: In Vitro and Computational Studies
Authors: Agamennone Mariangela , Fantacuzzi Marialuigia , Carradori Simone , Petzer Anél , Petzer Jacobus P. , Angeli Andrea , Supuran Claudiu T. , Luisi Grazia
Published: November 2022

The involvement of human carbonic anhydrase (hCA) IX/XII in the pathogenesis and progression of many types of cancer is well acknowledged, and more recently human monoamine oxidases (hMAOs) A and B have been found important contributors to tumor development and aggressiveness. With a view of an enzymatic dual-blockade approach, in this investigation, new coumarin-based amino acyl and (pseudo)-dipeptidyl derivatives were synthesized and firstly evaluated in vitro for inhibitory activity and selectivity against membrane-bound and cytosolic hCAs (hCA IX/XII over hCA I/II), as well as the hMAOs, to estimate their potential as anticancer agents. De novo design of peptide-coumarin conjugates was subsequently carried out and involved the combination of the widely explored coumarin nucleus with the unique biophysical and structural properties of native or modified peptides. All compounds displayed nanomolar inhibitory activities towards membrane-anchored hCAs, whilst they were unable to block the ubiquitous CA I and II isoforms. Structural features pertinent to potent and selective CA inhibitory activity are discussed, and modeling studies were found to support the biological data. Lower potency inhibition of the hMAOs was observed, with most compounds showing preferential inhibition of hMAO-A. The binding of the most potent ligands (6 and 16) to the hydrophobic active site of hMAO-A was investigated in an attempt to explain selectivity on the molecular level. Calculated Ligand Efficiency values indicate that compound 6 has the potential to serve as a lead compound for developing innovative anticancer agents based on the dual inhibition strategy. This information may help design new coumarin-based peptide molecules with diverse bioactivities.
Ultrasonic Auxiliary Ozone Oxidation-Extraction Desulfurization: A Highly Efficient and Stable Process for Ultra-Deep Desulfurization
Authors: Wang Rui , Zhang Kaiqing , Kozhevnikov Ivan V.
Published: November 2022

For ultra-deep desulfurization of diesel fuel, this study applied the ultrasound-assisted catalytic ozonation process to the dibenzothiophene (DBT) removal process with four Keggin-type heteropolyacids (HPA) as catalysts and acetonitrile as extractant. Through experimental evaluations, H3PMo12O40 was found to be the most effective catalyst for the oxidative removal of DBT. Under favorable operating conditions with a temperature of 0 °C, H3PMo12O40 dosage of 2.5 wt.% of n-octane, and ultrasonic irradiation, DBT can be effectively removed from simulated diesel. Moreover, the reused catalyst exhibited good catalytic activity in recovery experiments. This desulfurization process has high potential for ultra-deep desulfurization of diesel.
Angelica sinensis Polysaccharide and Astragalus membranaceus Polysaccharide Accelerate Liver Regeneration by Enhanced Glycolysis via Activation of JAK2/STAT3/HK2 Pathway
Authors: Wen Xu-Dong , Zhang Yao-Lei , Yang Ling , Ye Zhen , Fu Guo-Chuan , Hu Yong-He , Pan Tao , Ye Qiao-Bo
Published: November 2022

The promotion of liver regeneration is crucial to avoid liver failure after hepatectomy. Angelica sinensis polysaccharide (ASP) and Astragalus membranaceus polysaccharide (AMP) have been identified as being associated with hepatoprotective effects. However, their roles and specific mechanisms in liver regeneration remain to be elucidated. In the present study, it suggested that the respective use of ASP or AMP strikingly promoted hepatocyte proliferation in vitro with a wide range of concentrations (from 12.5 μg/mL to 3200 μg/mL), and a stronger promoting effect was observed in combined interventions. A significantly enhanced liver/body weight ratio (4.20%) on day 7 and reduced serum transaminase (ALT 243.53 IU/L and AST 423.74 IU/L) and total bilirubin (52.61 IU/L) levels on day 3 were achieved by means of ASP-AMP administration after partial hepatectomy in mice. Metabonomics showed that differential metabolites were enriched in glycolysis with high expression of beta-d-fructose 6-phosphate and lactate, followed by significantly strengthened lactate secretion in the supernatant (0.54) and serum (0.43) normalized to control. Upon ASP-AMP treatment, the knockdown of hexokinase 2 (HK2) or inhibited glycolysis caused by 2-deoxy-d-glucose decreased hepatocyte proliferation in vitro and in vivo. Furthermore, pathway analysis predicted the role of JAK2/STAT3 pathway in ASP-AMP-regulated liver regeneration, and phosphorylation of JAK2 and STAT3 was proven to be elevated in this promoting process. Finally, downregulated expression of HK2, an attenuated level of lactate secretion, and reduced hepatocyte proliferation were displayed when STAT3 was knocked out in vitro. Therefore, it can be concluded that ASP-AMP accelerated liver regeneration and exerted a hepatoprotective effect after hepatectomy, in which the JAK2/STAT3/HK2 pathway was actively involved in activating glycolysis.
Essential Oils and COVID-19
Authors: Elsebai Mahmoud Fahmi , Albalawi Marzough Aziz
Published: November 2022

Herbal products are a major source of herbal medicines and other medicines. Essential oils have shown various pharmacological activities, such as antiviral activity, and therefore are proposed to have potential activity against SARS-CoV-2. Due to their lipophilicity, essential oils can easily penetrate the viral membrane and cause the viral membrane to rupture. In addition, crude essential oils usually have many active constituents that can act on different parts of the virus including its cell entry, translation, transcription, and assembly. They have further beneficial pharmacological effects on the host’s respiratory system, including anti-inflammatory, immune regulation, bronchiectasis, and mucolytics. This review reported potential essential oils which could be promising drugs for COVID-19 eradication. Essential oils have many advantages because they are promising volatile antiviral molecules, making them potential drug targets for the prevention and treatment of COVID-19, whether used alone or in combination with other chemotherapeutic drugs. The aim of the current review is to shed light on the potential essential oils against enveloped viruses and their proposed activity against SARS-CoV-2 which is also an enveloped virus. The objectives were to present all data reflecting the promising activities of diverse essential oils against enveloped viruses and how they could contribute to the eradication of COVID disease, especially in indoor places. The data collected for the current review were obtained through the SciFinder database, Google scholar, PubMed, and Mendeley database. The data of the current review focused on the most common essential oils which are available in the pharmaceutical market and showed noticeable activities against enveloped viruses such as HSV and influenza.
Heterometallic Molecular Architectures Based on Fluorinated β-Diketone Ligands
Authors: Saloutin Viktor I. , Edilova Yulia O. , Kudyakova Yulia S. , Burgart Yanina V. , Bazhin Denis N.
Published: November 2022

This review summarizes the data on the synthesis of coordination compounds containing two or more different metal ions based on fluorinated β-diketonates. Heterometallic systems are of high interest in terms of their potential use in catalysis, medicine and diagnostics, as well as in the development of effective sensor devices and functional materials. Having a rich history in coordination chemistry, fluorinated β-diketones are well-known ligands generating a wide variety of heterometallic complexes. In this context, we focused on both the synthetic approaches to β-dicarbonyl ligands with additional coordination centers and their possible transformations in complexation reactions. The review describes bi- and polynuclear structures in which β-diketones are the key building blocks in the formation of a heterometallic framework, including the examples of both homo- and heteroleptic complexes.
Fast and Sensitive Analysis of Short- and Long-Chain Perfluoroalkyl Substances in Foods of Animal Origin
Authors: Gallocchio Federica , Moressa Alessandra , Zonta Gloria , Angeletti Roberto , Lega Francesca
Published: November 2022

The availability of sensitive analytical methods to detect per- and polyfluoroalkyl substances (PFASs) in food of animal origin is fundamental for monitoring programs to collect data useful for improving risk assessment strategies. The present study aimed to develop and validate a fast and sensitive method for determining short and long-chain PFASs in meat (bovine, fish, and swine muscle), bovine liver, hen eggs, and cow’s milk to be easily applicable in routine analysis of food. A QuEChERS extraction and clean-up method in combination with liquid chromatography coupled to mass spectrometry (LC-MSMS) were used. The method resulted in good linearity (Pearson’s R > 0.99), low limits of detection (7.78–16.35 ng/kg, 8.26–34.01 ng/kg, 6.70–33.65 ng/kg, and 5.92–19.07 ng/kg for milk, liver, egg, and muscle, respectively), and appropriate limits of quantification (50 ng/kg for all compounds except for GenX and C6O4, where the limits of quantification were 100 ng/kg). Trueness and precision for all the tested levels met the acceptability criteria of 80–120% and ≤20%, respectively, regardless of the analyzed matrix. As to measurement uncertainty, it was <50% for all compound/matrix combinations. These results demonstrate the selectivity and sensitivity of the method for simultaneous trace detection and quantification of 14 PFASs in foods of animal origin, verified through the analysis of 63 food samples.
Theoretical and Experimental Insights of Benzimidazole Catalyzed by the Epoxy–Acrylic Acid Reaction
Authors: Saif Muhammad , Fazal-ur-Rehman  , Abrar Shazia , Hameed Arruje , Idrees Nazeran , Asif Muhammad
Published: November 2022

This study focuses on the experimental and molecular-level investigation of epoxy acrylate formation. Epoxy acrylate vinyl ester resin was prepared by a reaction of diglycidyl ether of bisphenol-A-based epoxy resin and acrylic acid, using benzimidazole as a catalyst. It was confirmed that benzimidazole can effectively catalyze this reaction. FTIR analysis of the product revealed a simple addition esterification reaction between the epoxide group and carboxylic group of acrylic acid excluding the side reactions (e.g., etherification). DFT computational studies were performed to theoretically explore the insights of reaction mechanisms. The calculations revealed that the benzimidazole-catalyzed reaction dominates the uncatalyzed reaction. A comparison of calculated activation energies showed that concerted mechanisms are less significant in such reactions owing to their high activation barriers.
Phytochemicals from Vanda bensonii and Their Bioactivities to Inhibit Growth and Metastasis of Non-Small Cell Lung Cancer Cells
Authors: Jimoh Tajudeen O. , Nuamnaichati Narawat , Sungthong Rungroch , Chansriniyom Chaisak , Chanvorachote Pithi , Likhitwitayawuid Kittisak , Chaotham Chatchai , Sritularak Boonchoo
Published: November 2022

The most prevalent lung cancer is non-small cell lung cancer (NSCLC). This lung cancer type often develops other organ-specific metastases that are critical burdens in the treatment process. Orchid species in the genus Vanda have shown their potential in folkloric medication of diverse diseases but not all its species have been investigated, and little is known about their anticancer activities against NSCLC. Here, we firstly profiled the specialized metabolites of Vanda bensonii and examined their capability to inhibit growth and metastasis of NSCLC using NCI-H460 cells as a study model. Four phytochemicals, including phloretic acid methyl ester (1), cymbinodin-A (2), ephemeranthoquinone B (3), and protocatechuic acid (4), were isolated from the whole plant methanolic extract of V. bensonii. The most distinguished cytotoxic effect on NCI-H460 cells was observed in the treatments with crude methanolic extract and compound 2 with the half maximal inhibitory concentrations of 40.39 μg mL−1 and 50.82 μM, respectively. At non-cytotoxic doses (10 μg mL−1 or 10 μM), only compound 1 could significantly limit NCI-H460 cell proliferation when treated for 48 h, while others excluding compound 4 showed significant reduction in cell proliferation after treating for 72 h. Compound 1 also significantly decreased the migration rate of NCI-H460 cells examined through a wound-healing assay. Additionally, the crude extract and compound 1 strongly affected survival and growth of NCI-H460 cells under anchorage-independent conditions. Our findings proved that natural products from V. bensonii could be promising candidates for the future pharmacotherapy of NSCLC.
Amine-Reactive BODIPY Dye: Spectral Properties and Application for Protein Labeling
Authors: Ksenofontova Ksenia V. , Kerner Anastasia A. , Ksenofontov Alexander A. , Shagurin Artyom Yu. , Bocharov Pavel S. , Lukanov Michael M. , Kayumov Airat R. , Zhuravleva Darya E. , Iskhakova Zalina I. , Molchanov Evgeniy E. , Merkushev Dmitriy A. , Khodov Ilya A. , Marfin Yuriy S.
Published: November 2022

A boron-dipyrromethene (BODIPY) derivative reactive towards amino groups of proteins (NHS-Ph-BODIPY) was synthesized. Spectroscopic and photophysical properties of amine-reactive NHS-Ph-BODIPY and its non-reactive precursor (COOH-Ph-BODIPY) in a number of organic solvents were investigated. Both fluorescent dyes were characterized by green absorption (521–532 nm) and fluorescence (538–552 nm) and medium molar absorption coefficients (46,500–118,500 M−1·cm−1) and fluorescence quantum yields (0.32 – 0.73). Solvent polarizability and dipolarity were found to play a crucial role in solvent effects on COOH-Ph-BODIPY and NHS-Ph-BODIPY absorption and emission bands maxima. Quantum-chemical calculations were used to show why solvent polarizability and dipolarity are important as well as to understand how the nature of the substituent affects spectroscopic properties of the fluorescent dyes. NHS-Ph-BODIPY was used for fluorescent labeling of a number of proteins. Conjugation of NHS-Ph-BODIPY with bovine serum albumin (BSA) resulted in bathochromic shifts of absorption and emission bands and noticeable fluorescence quenching (about 1.5 times). It was demonstrated that the sensitivity of BSA detection with NHS-Ph-BODIPY was up to eight times higher than with Coomassie brilliant blue while the sensitivity of PII-like protein PotN (PotN) detection with NHS-Ph-BODIPY and Coomassie brilliant blue was almost the same. On the basis of the molecular docking results, the most probable binding sites of NHS-Ph-BODIPY in BSA and PotN and the corresponding binding free energies were estimated.
Targeting Ultrasmall Gold Nanoparticles with cRGD Peptide Increases the Uptake and Efficacy of Cytotoxic Payload
Authors: Perrins Richard D. , McCarthy Lee-Anne , Robinson Angela , Spry Kelly L. , Cognet Valentin , Ferreira Avelino , Porter John , Garcίa Cristina Espinosa , Rodriguez Miguel Ángel , Lopez Diana , Perera Ibon , Conlon Kelly , Barrientos Africa , Coulter Tom , Pace Alessandro , Hale Sarah J. M. , Ferrari Enrico , Bachrati Csanad Z.
Published: November 2022

Cyclic arginyl-glycyl-aspartic acid peptide (cRGD) peptides show a high affinity towards αVβ3 integrin, a receptor overexpressed in many cancers. We aimed to combine the versatility of ultrasmall gold nanoparticles (usGNP) with the target selectivity of cRGD peptide for the directed delivery of a cytotoxic payload in a novel design. usGNPs were synthesized with a modified Brust-Schiffrin method and functionalized via amide coupling and ligand exchange and their uptake, intracellular trafficking, and toxicity were characterized. Our cRGD functionalized usGNPs demonstrated increased cellular uptake by αVβ3 integrin expressing cells, are internalized via clathrin-dependent endocytosis, accumulated in the lysosomes, and when loaded with mertansine led to increased cytotoxicity. Targeting via cRGD functionalization provides a mechanism to improve the efficacy, tolerability, and retention of therapeutic GNPs.