bluuebunny/crossref_metadata_2025 huggingface dataset:
Prediction Models for Estimating Compressive Strength of Concrete Made of Manufactured Sand Using Gene Expression Programming Model
Authors: Khan Kaffayatullah , Salami Babatunde Abiodun , Jamal Arshad , Amin Muhammad Nasir , Usman Muhammad , Al-Faiad Majdi Adel , Abu-Arab Abdullah M. , Iqbal Mudassir
Published: August 2022

The depletion of natural resources of river sand and its availability issues as a construction material compelled the researchers to use manufactured sand. This study investigates the compressive strength of concrete made of manufactured sand as a partial replacement of normal sand. The prediction model, i.e., gene expression programming (GEP), was used to estimate the compressive strength of manufactured sand concrete (MSC). A database comprising 275 experimental results based on 11 input variables and 1 target variable was used to train and validate the developed models. For this purpose, the compressive strength of cement, tensile strength of cement, curing age, Dmax of crushed stone, stone powder content, fineness modulus of the sand, water-to-binder ratio, water-to-cement ratio, water content, sand ratio, and slump were taken as input variables. The investigation of a varying number of genetic characteristics, such as chromosomal number, head size, and gene number, resulted in the creation of 11 alternative models (M1-M11). The M5 model outperformed other created models for the training and testing stages, with values of (4.538, 3.216, 0.919) and (4.953, 3.348, 0.906), respectively, according to the results of the accuracy evaluation parameters root mean square error (RMSE), mean absolute error (MAE), and coefficient of determination (R2). The R2 and error indices values revealed that the experimental and projected findings are in extremely close agreement. The best model has 200 chromosomes, 8 head sizes, and 3 genes. The mathematical expression achieved from the GEP model revealed that six parameters, namely the compressive and tensile strength of cement, curing period, water–binder ratio, water–cement ratio, and stone powder content contributed effectively among the 11 input variables. The sensitivity analysis showed that water–cement ratio (46.22%), curing period (25.43%), and stone powder content (13.55%) were revealed as the most influential variables, in descending order. The sensitivity of the remaining variables was recorded as w/b (11.37%) > fce (2.35%) > fct (1.35%).
Research on the Evolution of Shield Segment Cracks Based on Acoustic Emission and CMOD
Authors: Li Junwei , Xu Fei , Wang Tianmu , Shi Songtao
Published: August 2022

In order to explore the cracking law and failure characteristics of segments, a model test of shield segment cracking was conducted. The microscopic and macroscopic crack evolution process of the segment is studied by using acoustic emission detection technology and crack opening displacement (CMOD). According to the acoustic emission signal and CMOD, characteristics generated in the process of segment cracking, in the form of numerical value, the evolution characteristics of each stage of segment cracking are directly reflected. Based on acoustic emission energy and CMOD, the segment cracking damage model was established to determine the segment fracture damage degree. The result shows that segment cracking can be divided into three stages, and the acoustic emission detection results and CMOD have different degrees of change in each cracking stage. This proves that both the acoustic emission acquisition results and CMOD can be used as evaluation indicators of damage degree. Acoustic emission can accurately identify the crack evolution process, and the yield strengthening is an important stage of crack damage evolution. The damage data points in this stage account for 76.83% of all the damage data points, the occurrence rate of damage data points is 0.225 s, and the density of data points in the damaged area is 3.219 × 10−4 mm3, which is larger than the other two stages. The segment cracking damage model can effectively reflect the segment cracking degree and provide a reference for the actual segment cracking assessment.
The Pore Microstructure Evolution and Porous Properties of Large Capillary Pressure Wicks Sintered with Carbonyl Nickel Powder
Authors: Zheng Fengshi , Wang Linshan , Wang Rui , Wang Jianwei , Zhang Shaoming , Hu Qiang , Wang Limin
Published: August 2022

We investigated the effect of different sintering temperatures ranging from 200 °C to 600 °C on the porous properties and pore microstructure of large capillary pressure wicks made of carbonyl nickel powder. The evolution model of hydraulic diameter was established and verified by the maximum pore diameter. Hydraulic diameter changed as the roughness of particle surfaces decreased and sintering necks grew large during sintering. In the contact-formation stage and the initial sintering stage (200–500 °C), the decrease in the roughness of particle surfaces played a decisive role, contributing to an increase in hydraulic diameter. In the intermediate sintering stage (600 °C), the growth of sintering necks dominated the process, however the hydraulic diameter was reduced. These results show that the maximum pore diameter first increased and then decreased in the same way as our evolution model. Permeability and capillary performance of the wicks first increased and then declined with increasing sintering temperature. We found the optimal sintering temperature to be 400 °C, at which point the wicks achieved the maximum pore diameter of 1.21 μm, a permeability of 1.77 × 10−14 m2, and their highest capillary performance of 1.46 × 10−8 m.
Effect of Chromium Content on the Oxidation Behavior of a Ta Stabilized γ’-Strengthened Polycrystalline Co-30Ni-10Al-4W-4Ti-2Ta Alloy
Authors: Qian Kun , Qu Shasha , Shu Lei , Xue Peng , Li Xiaobing , Chen Bo , Liu Kui
Published: August 2022

The high-temperature oxidation behaviors of polycrystalline Co-30Ni-10Al-4W-4Ti-2Ta superalloys with Cr contents ranging from 1 to 5 at.% are characterized at 900 °C to provide benchmark data for the alloy design of the CoNi-based superalloys. The mass gain curves for all three alloys exhibit parabolic growth, and the addition of 5Cr at.% is sufficient to decrease the oxidation rate by two orders of magnitude compared to the Cr-free alloy. Furthermore, cross-sectional findings reveal that these three alloys form qualitatively similar oxide scales composed of an outer oxide layer of Co3O4 and CoAl2O4 phase on top of an Al2O3 scale, following the inner oxide layers of Cr2O3, TiO2, and TiTaO4, and internally oxidized Al2O3 precipitate. The alloy forms a chromium-rich oxide scale as the Cr addition increased, and the concentration of Cr in the scale/alloy interface increases, promoting the growth of Cr2O3, while CoAl2O4 and Co3O4 nucleation is inhibited. The results further indicate that Cr has a superior effect on improving the oxidation resistance of CoNi-based alloys and that a higher content of Cr can assist the formation of a continuous Al2O3, Cr2O3, and TiTaO4 layers, which in turn hampers outer Co and Ni, and inward oxygen flux.
Strain-Rate Dependence of Tensile Behavior in Commercial-Grade Tungsten—Effect of Recrystallization Condition
Authors: Kong Byeong Seo , Shin Ji Ho , An Taejeong , Jang Changheui , Kim Hyoung Chan
Published: August 2022

The tensile deformation behavior of double-forged (DF-W) and recrystallized (RX-W) commercial-grade tungsten was investigated at 700 °C. With increasing strain rate, the dominant dynamic recrystallization (DRX) mechanism changes from continuous dynamic recrystallization (CDRX) to discontinuous dynamic recrystallization (DDRX). For DF-W, pre-existing sub-grains promote CDRX and associated a high-DRX fraction, resulting in reduced post-necking strain under a static condition. With increasing strain rate, a shift in the restoration mechanism from CDRX to DDRX contributes to the enhanced ductility in DF-W, while RX-W shows enhanced flow hardening without a loss of ductility. These results suggest that the strain-rate dependence of mechanical behavior depends on the initial microstructure.
Metal–Organic Frameworks (MOFs) Derived Materials Used in Zn–Air Battery
Authors: Song Dongmei , Hu Changgang , Gao Zijian , Yang Bo , Li Qingxia , Zhan Xinxing , Tong Xin , Tian Juan
Published: August 2022

It is necessary to develop new energy technologies because of serious environmental problems. As one of the most promising electrochemical energy conversion and storage devices, the Zn–air battery has attracted extensive research in recent years due to the advantages of abundant resources, low price, high energy density, and high reduction potential. However, the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) of Zn–air battery during discharge and charge have complicated multi-electron transfer processes with slow reaction kinetics. It is important to develop efficient and stable oxygen electrocatalysts. At present, single-function catalysts such as Pt/C, RuO2, and IrO2 are regarded as the benchmark catalysts for ORR and OER, respectively. However, the large-scale application of Zn–air battery is limited by the few sources of the precious metal catalysts, as well as their high costs, and poor long-term stability. Therefore, designing bifunctional electrocatalysts with excellent activity and stability using resource-rich non-noble metals is the key to improving ORR/OER reaction kinetics and promoting the commercial application of the Zn–air battery. Metal–organic framework (MOF) is a kind of porous crystal material composed of metal ions/clusters connected by organic ligands, which has the characteristics of adjustable porosity, highly ordered pore structure, low crystal density, and large specific surface area. MOFs and their derivatives show remarkable performance in promoting oxygen reaction, and are a promising candidate material for oxygen electrocatalysts. Herein, this review summarizes the latest progress in advanced MOF-derived materials such as oxygen electrocatalysts in a Zn–air battery. Firstly, the composition and working principle of the Zn–air battery are introduced. Then, the related reaction mechanism of ORR/OER is briefly described. After that, the latest developments in ORR/OER electrocatalysts for Zn–air batteries are introduced in detail from two aspects: (i) non-precious metal catalysts (NPMC) derived from MOF materials, including single transition metals and bimetallic catalysts with Co, Fe, Mn, Cu, etc.; (ii) metal-free catalysts derived from MOF materials, including heteroatom-doped MOF materials and MOF/graphene oxide (GO) composite materials. At the end of the paper, we also put forward the challenges and prospects of designing bifunctional oxygen electrocatalysts with high activity and stability derived from MOF materials for Zn–air battery.
Salt Scaling Resistance of Variable w/c Ratio Air-Entrained Concretes Modified with Polycarboxylates as a Proper Consequence of Air Void System
Authors: Nowak-Michta Aneta
Published: August 2022

The values of the air void parameters in hardened concrete (spacing factor L ≤ 0.200 mm and micro air content A300 ≥ 1.5%), determined on the basis of the Powers model, in concretes produced today do not always guarantee the frost resistance of the concrete, especially when in surface impact with the participation of de-icing agents. The literature indicates that the modified polycarboxylates used to liquefy concrete mixes are one of the factors involved in changing the air void system; therefore, the aim of the article was to determine the dependence of the air void parameters and the resistance to scaling of concretes liquefied to a constant consistency by the use of modified polycarboxylates in the spectrum of variability of the ratio w/c = 0.53 ÷ 0.30. In the research program, twelve concrete mixes were made with a constant proportion of aggregate and paste: six air-entrained—with a constant air content of 5.5 ± 0.5%—and six non-air-entrained. The air void parameters were determined in accordance with EN 480-11, while the resistance to scaling was determined in accordance with CEN/TS 12390-9 and assessed according to the criteria of SS 137244. The analysis of the test results showed that liquefaction with modified polycarboxylates did not affect the w/c limit values, enabling obtaining concretes resistant to scaling. They are, respectively, 0.35 in the non-air-entrained concretes and 0.50 in the air-entrained concretes with an air content of 5.5 ± 0.5. Moreover, the commonly used criterion for ensuring the frost resistance of air-entrained concretes, L ≤ 0.200 mm and A300 ≥ 1.5%, requires supplementing with the minimum value of the w/c ≤ 0.50.
Crystallographic Features of Phase Transformations during the Continuous Cooling of a Ti6Al4V Alloy from the Single-Phase β-Region
Authors: Naschetnikova Inna A. , Stepanov Stepan I. , Redikultsev Andrey A. , Yarkov Valentin Yu. , Zorina Maria A. , Lobanov Mikhail L.
Published: August 2022

Crystallographic relationships between α- and β-phases resulting from phase transformations, which took place during the continuous water quenching (WQ), air cooling (AC) and furnace cooling (FC) of a Ti6Al4V plates solution treated at 1065 °C, were investigated by methods of electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM). WQ, AC and FC resulted in typical martensite, basket-weave and parallel-plate Widmanstatten structures, respectively. The experimental distribution of α/β-misorientations deviated from BOR at set discrete angles close to 22, 30, 35 and 43°. The experimental spectra of angles were confirmed by theoretical calculations of the possible misorientations between the α and β phases through the βo→α→βII –transformation path based on Burgers orientation relationship (BOR). Joint analysis of the experimental data and theoretical calculations revealed that the secondary βII-phase was precipitated according to the sequence βo→α→βII during continuous cooling from the single-phase β-region. Similar spectra for α/β-phase misorientations for all investigated cooling rates acknowledged the similar transformation mechanisms and dominant shear component of the phase transformations.
Using Tectona Grandis Biomass to Produce Valuable Adsorbents for Pesticide Removal from Liquid Effluent
Authors: da Paixão Cansado Isabel Pestana , Mourão Paulo Alexandre Mira , Belo Cristóvão Ramiro
Published: August 2022

This work presents a first approach concerning the valorization of Tectona Grandis tree by-products, from East Timor through their transformation into high activated carbon (AC) by chemical activation with KOH and K2CO3. The better ACs, Teak-KOH-1-1-700 and Teak-K2CO3-1-2-700, presented a high ABET (995 and 1132 m2·g−1) and micropore volume (0.43 and 0.5 cm3·g−1), respectively. Both ACs were tested on the removal of four pesticides, from the liquid phase. Both ACs performed better than existing commercial types, presenting a maximum adsorption capacity of 1.88, 1.67, 1.10 and 0.89 mmol·g−1, for 4-chloro-2-methylphenoxyacetic acid, 2,4-dichlorophenoxyacetic acid, diuron and atrazine, respectively. Pesticide adsorption from diluted and concentrated solutions confirms that diffusion is the limiting factor. The possibility of implementing a production unit for ACs in East Timor is very promising for that country. It presents an opportunity for job creation, biomass waste reduction and a contribution to environmental sustainability, thereby following the principles of a circular economy.
Energy-Saving One-Step Pre-Treatment Using an Activated Sodium Percarbonate System and Its Bleaching Mechanism for Cotton Fabric
Authors: Li Qing , Lu Run , Liang Yan , Gao Kang , Jiang Huiyu
Published: August 2022

The traditional pre-treatment of cotton fabric hardly meets the requirement of low carbon emissions due to its large energy consumption and wastewater discharge. In this study, a low-temperature and near-neutral strategy was designed by establishing a tetraacetylethylenediamine (TAED)-activated sodium percarbonate (SPC) system. First, the effects of SPC concentration, temperature and duration on the whiteness index (WI) and capillary effect of cotton fabrics were investigated. Particularly, excess SPC’s ability to create an additional bleaching effect was studied. The optimized activated pre-treatment was compared with the traditional pre-treatment in terms of the bleaching effect and energy consumption. Further, the degradation of morin, which is one of the natural pigments in cotton, was carried out in a homogeneous TAED/SPC system to reveal the bleaching mechanism. Lastly, the application performance of the treated cotton was evaluated by characterizing the dyeability, mechanical properties, morphology, etc. The research results showed that temperature had a significant influence on both the WI and capillary effect, followed by the SPC concentration and duration. The WI was positively correlated with the SPC concentration, but excess SPC could not produce an obvious additional effect. The WI of the fabric increased by 67.6% after the optimized activated bleaching using 10 mmol/L SPC and 15 mmol/L TAED at 70 °C for 30 min. Compared with the traditional process performed at 95 °C for 45 min, the activated process produced approximately 39.3% energy savings. Research on the bleaching mechanism indicated that the reactive species that participated in degrading the morin were the hydroxyl radical and superoxide radical, and the contribution degree of the former was larger than that of the latter. Two degradation components with molecular weights of 180 and 154 were detected using mass spectroscopy. Based on this, the bleaching mechanism of the TAED/SPC system was proposed. Moreover, the fabric after the activated pre-treatment had a suitable dyeability and strength, a lower wax residual and a smoother and cleaner fiber surface. The encouraging results showed that TAED/SPC is a promising bleaching system that is conducive to the sustainable advance of the textile industry.
Razumikhin Theorems on Polynomial Stability of Neutral Stochastic Pantograph Differential Equations with Markovian Switching
Authors: Zou Zihan , Song Yinfang , Zhao Chi
Published: August 2022

This paper investigates the polynomial stability of neutral stochastic pantograph differential equations with Markovian switching (NSPDEsMS). Firstly, under the local Lipschitz condition and a more general nonlinear growth condition, the existence and uniqueness of the global solution to the addressed NSPDEsMS is considered. Secondly, by adopting the Razumikhin approach, one new criterion on the qth moment polynomial stability of NSPDEsMS is established. Moreover, combining with the Chebyshev inequality and the Borel–Cantelli lemma, the almost sure polynomial stability of NSPDEsMS is examined. The results derived in this paper generalize the previous relevant ones. Finally, two examples are provided to illustrate the effectiveness of the theoretical work.
Parity Deformed Tavis-Cummings Model: Entanglement, Parameter Estimation and Statistical Properties
Authors: Algarni Mariam , Berrada Kamal , Abdel-Khalek Sayed , Eleuch Hichem
Published: August 2022

In this paper, we introduce the parity extension of the harmonic oscillator systems to develop the generalized Tavis-Cummings model (T-CM) based on a specific deformation of the Heisenberg algebra. We present a quantum scheme of a two-qubit system (TQS) interacting with a quantized field that is initially prepared in parity deformed coherent states (PDCSs). The dynamical features of the considered system are explored in the presence of parity deformed parameter (PDP) and time-dependent coupling (t-dc). In particular, we examine the amount of the entanglement formed in the qubit–field and qubit–qubit states. We find that the maximal amount of the entanglement may be occurred periodically during the time evolution. Finally, we investigate the influence of PDP on the Fisher information and the photon statistics of the deformed field with respect to the main parameters of the system.
Gas Permeability and Mechanical Properties of Polyurethane-Based Membranes for Blood Oxygenators
Authors: Coelho Inês , Pires Rita F. , Gonçalves Sérgio B. , Bonifácio Vasco D. B. , Faria Mónica
Published: August 2022

The production of medical devices follows strict guidelines where bio- and hemocompatibility, mechanical strength, and tear resistance are important features. Segmented polyurethanes (PUs) are an important class of polymers that fulfill many of these requirements, thus justifying the investigation of novel derivatives with enhanced properties, such as modulated carbon dioxide and oxygen permeability. In this work, three segmented polyurethane-based membranes, containing blocks of hard segments (HSs) dispersed in a matrix of soft segment (SS) blocks, were prepared by reacting a PU prepolymer (PUR) with tris(hydroxymethyl)aminomethane (TRIS), Congo red (CR) and methyl-β-cyclodextrin (MBCD), rendering PU/TRIS, PU/CR and PU/MBCD membranes. The pure (control) PU membrane exhibited the highest degree of phase segregation between HSs and SSs followed by PU/TRIS and PU/MBCD membranes, and the PU/CR membrane displayed the highest degree of mixing. Pure PU and PU/CR membranes exhibited the highest and lowest values of Young’s modulus, tangent moduli and ultimate tensile strength, respectively, suggesting that the introduction of CR increases molecular mobility, thus reducing stiffness. The CO2 permeability was highest for the PU/CR membrane, 347 Barrer, and lowest for the pure PU membrane, 278 Barrer, suggesting that a higher degree of mixing between HSs and SSs leads to higher CO2 permeation rates. The permeability of O2 was similar for all membranes, but ca. 10-fold lower than the CO2 permeability.
New Generation of Compositional Aquivion®-Type Membranes with Nanodiamonds for Hydrogen Fuel Cells: Design and Performance
Authors: Primachenko Oleg N. , Kulvelis Yuri V. , Odinokov Alexei S. , Glebova Nadezhda V. , Krasnova Anna O. , Antokolskiy Lev A. , Nechitailov Andrey A. , Shvidchenko Alexander V. , Gofman Iosif V. , Marinenko Elena A. , Yevlampieva Natalia P. , Lebedev Vasily T. , Kuklin Alexander I.
Published: August 2022

Compositional proton-conducting membranes based on perfluorinated Aquivion®-type copolymers modified by detonation nanodiamonds (DND) with positively charged surfaces were prepared to improve the performance of hydrogen fuel cells. Small-angle neutron scattering (SANS) experiments demonstrated the fine structure in such membranes filled with DND (0–5 wt.%), where the conducting channels typical for Aquivion® membranes are mostly preserved while DND particles (4–5 nm in size) decorated the polymer domains on a submicron scale, according to scanning electron microscopy (SEM) data. With the increase in DND content (0, 0.5, and 2.6 wt.%) the thermogravimetric analysis, potentiometry, potentiodynamic, and potentiotatic curves showed a stabilizing effect of the DNDs on the operational characteristics of the membranes. Membrane–electrode assemblies (MEA), working in the O2/H2 system with the membranes of different compositions, demonstrated improved functional properties of the modified membranes, such as larger operational stability, lower proton resistance, and higher current densities at elevated temperatures in the extended temperature range (22–120 °C) compared to pure membranes without additives.
Potential Cardioprotective Effects and Lipid Mediator Differences in Long-Chain Omega-3 Polyunsaturated Fatty Acid Supplemented Mice Given Chemotherapy
Authors: Angelotti Austin , Snoke Deena B. , Ormiston Kate , Cole Rachel M. , Borkowski Kamil , Newman John W. , Orchard Tonya S. , Belury Martha A.
Published: August 2022

Many commonly used chemotherapies induce mitochondrial dysfunction in cardiac muscle, which leads to cardiotoxicity and heart failure later in life. Dietary long-chain omega-3 polyunsaturated fatty acids (LC n-3 PUFA) have demonstrated cardioprotective function in non-chemotherapy models of heart failure, potentially through the formation of LC n-3 PUFA-derived bioactive lipid metabolites. However, it is unknown whether dietary supplementation with LC n-3 PUFA can protect against chemotherapy-induced cardiotoxicity. To test this, 36 female ovariectomized C57BL/6J mice were randomized in a two-by-two factorial design to either a low (0 g/kg EPA + DHA) or high (12.2 g/kg EPA + DHA) LC n-3 PUFA diet, and received either two vehicle or two chemotherapy (9 mg/kg anthracycline + 90 mg/kg cyclophosphamide) tail vein injections separated by two weeks. Body weight and food intake were measured as well as heart gene expression and fatty acid composition. Heart mitochondria were isolated using differential centrifugation. Mitochondrial isolate oxylipin and N-acylethanolamide levels were measured by mass spectrometry after alkaline hydrolysis. LC n-3 PUFA supplementation attenuated some chemotherapy-induced differences (Myh7, Col3a1) in heart gene expression, and significantly altered various lipid species in cardiac mitochondrial preparations including several epoxy fatty acids [17(18)-EpETE] and N-acylethanolamines (arachidonoylethanolamine, AEA), suggesting a possible functional link between heart lipids and cardiotoxicity.
Staphylococcus aureus Causes the Arrest of Neutrophils in the Bloodstream in a Septicemia Model
Authors: Pleskova Svetlana N. , Bobyk Sergey Z. , Kriukov Ruslan N. , Gorshkova Ekaterina N. , Bezrukov Nikolay A.
Published: August 2022

Staphylococcus aureus induces the expression of VCAM-1, P- and E-selectins on the endothelial cells of the EA.hy926 cell line but, at the same time, causes the significant suppression of the force and work of adhesion between these receptors of endotheliocytes and the receptors of neutrophils in an experimental septicemia model. Adhesion contacts between the receptors of neutrophils and endotheliocytes are statistically significantly suppressed under non-opsonized and opsonized S. aureus treatment, which disrupts the initial stage of transendothelial migration of neutrophils—adhesion. Thus, S. aureus causes the arrest of neutrophils in the bloodstream in an experimental septicemia model.
Comparative Genomic Analysis of Antimicrobial-Resistant Escherichia coli from South American Camelids in Central Germany
Authors: González-Santamarina Belén , Weber Michael , Menge Christian , Berens Christian
Published: August 2022

South American camelids (SAC) are increasingly kept in Europe in close contact with humans and other livestock species and can potentially contribute to transmission chains of epizootic, zoonotic and antimicrobial-resistant (AMR) agents from and to livestock and humans. Consequently, SAC were included as livestock species in the new European Animal Health Law. However, the knowledge on bacteria exhibiting AMR in SAC is too scarce to draft appropriate monitoring and preventive programs. During a survey of SAC holdings in central Germany, 39 Escherichia coli strains were isolated from composite fecal samples by selecting for cephalosporin or fluoroquinolone resistance and were here subjected to whole-genome sequencing. The data were bioinformatically analyzed for strain phylogeny, detection of pathovars, AMR genes and plasmids. Most (33/39) strains belonged to phylogroups A and B1. Still, the isolates were highly diverse, as evidenced by 28 multi-locus sequence types. More than half of the isolates (23/39) were genotypically classified as multidrug resistant. Genes mediating resistance to trimethoprim/sulfonamides (22/39), aminoglycosides (20/39) and tetracyclines (18/39) were frequent. The most common extended-spectrum-β-lactamase gene was blaCTX-M-1 (16/39). One strain was classified as enteropathogenic E. coli. The positive results indicate the need to include AMR bacteria in yet-to-be-established animal disease surveillance protocols for SAC.
Use of Probiotic Bacteria and Bacteriocins as an Alternative to Antibiotics in Aquaculture
Authors: Pereira Wellison Amorim , Mendonça Carlos Miguel N. , Urquiza Alejandro Villasante , Marteinsson Viggó Þór , LeBlanc Jean Guy , Cotter Paul D. , Villalobos Elías Figueroa , Romero Jaime , Oliveira Ricardo P. S.
Published: August 2022

In addition to their use in human medicine, antimicrobials are also used in food animals and aquaculture, and their use can be categorized as therapeutic against bacterial infections. The use of antimicrobials in aquaculture may involve a broad environmental application that affects a wide variety of bacteria, promoting the spread of bacterial resistance genes. Probiotics and bacteriocins, antimicrobial peptides produced by some types of lactic acid bacteria (LAB), have been successfully tested in aquatic animals as alternatives to control bacterial infections. Supplementation might have beneficial impacts on the intestinal microbiota, immune response, development, and/or weight gain, without the issues associated with antibiotic use. Thus, probiotics and bacteriocins represent feasible alternatives to antibiotics. Here, we provide an update with respect to the relevance of aquaculture in the animal protein production sector, as well as the present and future challenges generated by outbreaks and antimicrobial resistance, while highlighting the potential role of probiotics and bacteriocins to address these challenges. In addition, we conducted data analysis using a simple linear regression model to determine whether a linear relationship exists between probiotic dose added to feed and three variables of interest selected, including specific growth rate, feed conversion ratio, and lysozyme activity.
Coal Feed-Dependent Variation in Fly Ash Chemistry in a Single Pulverized-Combustion Unit
Authors: Hower James C. , Groppo John G. , Hopps Shelley D. , Morgan Tonya D. , Hsu-Kim Heileen , Taggart Ross K.
Published: August 2022

Four suites of fly ash, all generated at the same power plant, were selected for the study of the distribution of rare earth elements (REE). The fly ashes represented two runs of single-seam/single-mine coals and two runs of run-of-mine coals representing several coal seams from several mines. Plots of the upper continental crust-normalized REE, other parameters derived from the normalization, and the principal components analysis of the derived REE parameters (including the sum of the lanthanides plus yttrium and the ratio of the light to heavy REE) all demonstrated that the relatively rare earth-rich Fire Clay coal-derived fly ashes have a different REE distribution, with a greater concentration of REE with a relative dominance of the heavy REE, than the other fly ashes. Particularly with the Fire Clay coal-derived fly ashes, there is a systematic partitioning of the overall amount and distribution of the REE in the passage from the mechanical fly ash collection through to the last row of the electrostatic precipitator hoppers.
Comparison between 1,2-Dihydropyridine and 1,4-Dihydropyridine on Hydride-Donating Ability and Activity
Authors: Zhang Jin-Ye , Zhu Xiao-Qing
Published: August 2022

In this paper, detailed comparisons of the driving force in thermodynamics and intrinsic force in the kinetics of 1,2-dihydropyridine and 1,4-dihydropyridine isomers of PNAH, HEH, and PYH in hydride transfer reactions are made. For 1,2-PNAH and 1,4-PNAH, the values of the thermodynamic driving forces, kinetic intrinsic barriers, and thermo-kinetic parameters are 60.50 and 61.90 kcal/mol, 27.92 and 26.34 kcal/mol, and 44.21 and 44.12 kcal/mol, respectively. For 1,2-HEH and 1,4-HEH, the values of the thermodynamic driving forces, kinetic intrinsic barriers, and thermo-kinetic parameters are 63.40 and 65.00 kcal/mol, 31.68 and 34.96 kcal/mol, and 47.54 and 49.98 kcal/mol, respectively. For 1,2-PYH and 1,4-PYH, the order of thermodynamic driving forces, kinetic intrinsic barriers, and thermo-kinetic parameters are 69.90 and 72.60 kcal/mol, 33.06 and 25.74 kcal/mol, and 51.48 and 49.17 kcal/mol, respectively. It is not difficult to find that thermodynamically favorable structures are not necessarily kinetically favorable. In addition, according to the analysis of thermo-kinetic parameters, 1,4-PNAH, 1,2-HEH, and 1,4-PYH have a strong hydride-donating ability in actual chemical reactions.
Molecular Dereplication and In Vitro and In Silico Pharmacological Evaluation of Coriandrum sativum against Neuroblastoma Cells
Authors: Marcucci Maria Cristina , Oliveira Carlos Rocha , Spindola Daniel , Antunes Alyne A. , Santana Leila Y. K. , Cavalaro Victor , Costa Isabelle B. , de Carvalho Ana C. , Veiga Thiago A. M. , Medeiros Livia S. , dos Santos Zamarioli Lucas , Gonçalves Carolina P. , Santos Milena F. , Grecco Simone S. , Suzuki Vanessa Y. , Ferreira Lydia Masako , Garcia Daniel M.
Published: August 2022

The aim of this study was to investigate the cytotoxic activity of the Coriandrum sativum (C. sativum) ethanolic extract (CSEE) in neuroblastoma cells, chemically characterize the compounds present in the CSEE, and predict the molecular interactions and properties of ADME. Thus, after obtaining the CSEE and performing its chemical characterization through dereplication methods using UPLC/DAD-ESI/HRMS/MS, PM6 methods and the SwissADME drug design platform were used in order to predict molecular interactions and ADME properties. The CSEE was tested for 24 h in neuroblastoma cells to the establishment of the IC50 dose. Then, the cell death was evaluated, using annexin-PI, as well as the activity of the effector caspase 3, and the protein and mRNA levels of Bax and Bcl-2 were analyzed by ELISA and RT-PCR, respectively. By UHPLC/DAD/HRMS-MS/MS analysis, the CSEE showed a high content of isocoumarins-dihydrocoriandrin, coriandrin, and coriandrones A and B, as well as nitrogenated compounds (adenine, adenosine, and tryptophan). Flavonoids (apigenin, hyperoside, and rutin), phospholipids (PAF C-16 and LysoPC (16:0)), and acylglicerol were also identified in lower amount as important compounds with antioxidant activity. The in silico approach results showed that the compounds 1 to 6, which are found mostly in the C. sativum extract, obey the “Five Rules” of Lipinski, suggesting a good pharmacokinetic activity of these compounds when administered orally. The IC50 dose of CSEE (20 µg/mL) inhibited cell proliferation and promoted cell death by the accumulation of cleaved caspase-3 and the externalization of phosphatidylserine. Furthermore, CSEE decreased Bcl-2 and increased Bax, both protein and mRNA levels, suggesting an apoptotic mechanism. CSEE presents cytotoxic effects, promoting cell death. In addition to the promising results predicted through the in silico approach for all compounds, the compound 6 showed the best results in relation to stability due to its GAP value.
Effect of Pinoresinol and Vanillic Acid Isolated from Catalpa bignonioides on Mouse Myoblast Proliferation via the Akt/mTOR Signaling Pathway
Authors: Kim Seo-Young , Kwon Sung-Pil , Park SeonJu , Cho Su-Hyeon , Oh Youngse , Kim Seung Hyun , Park Yoon Ho , Jung Hyun Suk , Lee Deug-chan , Jeong Hoibin , Kim Kil-Nam
Published: August 2022

Growth and maintenance of skeletal muscle is essential for athletic performance and a healthy life. Stimulating the proliferation and differentiation of muscle cells may help prevent loss of muscle mass. To discover effective natural substances enabling to mitigate muscle loss without side effects, we evaluated muscle growth with several compounds extracted from Catalpa bignonioides Walt. Among these compounds, pinoresinol and vanillic acid increased C2C12, a mouse myoblast cell line, proliferation being the most without cytotoxicity. These substances activated the Akt/mammalian target of the rapamycin (mTOR) pathway, which positively regulates the proliferation of muscle cells. In addition, the results of in silico molecular docking study showed that they may bind to the active site of insulin-like growth factor 1 receptor (IGF-1R), which is an upstream of the Akt/mTOR pathway, indicating that both pinoresinol and vanillic acid stimulate myoblast proliferation through direct interaction with IGF-1R. These results suggest that pinoresinol and vanillic acid may be a natural supplement to improve the proliferation of skeletal muscle via IGF-1R/Akt/mTOR signaling and thus strengthen muscles.
Synthesis, Structure and Antileishmanial Evaluation of Endoperoxide–Pyrazole Hybrids
Authors: Amado Patrícia S. M. , Costa Inês C. C. , Paixão José A. , Mendes Ricardo F. , Cortes Sofia , Cristiano Maria L. S.
Published: August 2022

Leishmaniases are among the most impacting neglected tropical diseases. In attempts to repurpose antimalarial drugs or candidates, it was found that selected 1,2,4-trioxanes, 1,2,4,5-tetraoxanes, and pyrazole-containing chemotypes demonstrated activity against Leishmania parasites. This study reports the synthesis and structure of trioxolane–pyrazole (OZ1, OZ2) and tetraoxane–pyrazole (T1, T2) hybrids obtained from the reaction of 3(5)-aminopyrazole with endoperoxide-containing building blocks. Interestingly, only the endocyclic amine of 3(5)-aminopyrazole was found to act as nucleophile for amide coupling. However, the fate of the reaction was influenced by prototropic tautomerism of the pyrazole heterocycle, yielding 3- and 5-aminopyrazole containing hybrids which were characterized by different techniques, including X-ray crystallography. The compounds were evaluated for in vitro antileishmanial activity against promastigotes of L. tropica and L. infantum, and for cytotoxicity against THP-1 cells. Selected compounds were also evaluated against intramacrophage amastigote forms of L. infantum. Trioxolane–pyrazole hybrids OZ1 and OZ2 exhibited some activity against Leishmania promastigotes, while tetraoxane–pyrazole hybrids proved inactive, most likely due to solubility issues. Eight salt forms, specifically tosylate, mesylate, and hydrochloride salts, were then prepared to improve the solubility of the corresponding peroxide hybrids and were uniformly tested. Biological evaluations in promastigotes showed that the compound OZ1•HCl was the most active against both strains of Leishmania. Such finding was corroborated by the results obtained in assessments of the L. infantum amastigote susceptibility. It is noteworthy that the salt forms of the endoperoxide–pyrazole hybrids displayed a broader spectrum of action, showing activity in both strains of Leishmania. Our preliminary biological findings encourage further optimization of peroxide–pyrazole hybrids to identify a promising antileishmanial lead.
Novel Novolac Phenolic Polymeric Network of Chalcones: Synthesis, Characterization, and Thermal–Electrical Conductivity Investigation
Authors: Sharshira Essam Mohamed , Ataalla Ahmed A. , Hagar Mohamed , Salah Mohammed , Jaremko Mariusz , Shehata Nader
Published: August 2022

A series of novolac phenolic polymeric networks (NPPN) were prepared via an acid-catalyzed polycondensation reaction of formaldehyde with chalcones possessing a p-phenolic OH group. When p-hydroxybenzaldehyde was treated with formaldehyde under the same conditions, a phenolic polymer (PP) was obtained. The resulting polymers were isolated in excellent yields (83–98%). Isolated polymers (NPPN, PP) were characterized using FTIR, TGA, and XRD. The results obtained from the TGA revealed that all prepared phenolic polymers have high thermal stability at high temperatures and can act as thermosetting materials. XRD data analysis showed a high degree of amorphousness for all polymers (78.8–89.2%). The electrical conductivities and resistivities of all chalcone-based phenolic networks (NPPN) and p-hydroxybenzaldehyde polymer (PP) were also determined. The physical characteristics obtained from the I-V curve showed that the conductivity of phenolic polymers has a wide range from ultimately negligible values of 0.09 µS/cm up to 2.97 μS/cm. The degree of polarization of the conjugated system’s carbonyl group was attributed to high, low, or even no conductivity for all phenolic polymers since the electronic effects (inductive and mesomeric) could impact the polarization of the carbonyl group and, consequently, change the degree of the charge separation to show varied conductivity values.
pH-Responsive PEGylated Niosomal Nanoparticles as an Active-Targeting Cyclophosphamide Delivery System for Gastric Cancer Therapy
Authors: Khodabakhsh Farnaz , Bourbour Mahsa , Yaraki Mohammad Tavakkoli , Bazzazan Saina , Bakhshandeh Haleh , Ahangari Cohan Reza , Tan Yen Nee
Published: August 2022

A PEGylated niosomal formulation of cyclophosphamide (Nio-Cyclo-PEG) was prepared using a central composite design and characterized in terms of drug loading, size distribution, and average size. The stability of formulations was also studied at different conditions. In vitro cytotoxicity of drug delivery formulations was assessed on gastric cancer cells using MTT assay. The mechanism of cytotoxicity was studied at the transcriptional level by real-time PCR on Caspase3, Caspase9, CyclinD, CyclinE, MMP-2, and MMP-9 genes, while apoptosis was investigated with flow cytometry. The anti-metastatic property was evaluated using the scratch method. Propidium iodide staining was used to study the cell cycle. The results indicated that the as-designed nanocarrier exhibited a controlled drug release pattern with improved nanoparticle stability. It was found that the living cancer cells treated with Nio-Cyclo-PEG showed a significant decrease in number when compared with the niosomal carrier without PEG (Nio-Cyclo) and free drug (Cyclo). Moreover, the drug-loaded nanocarrier induced planned death (apoptosis) in the cancer cells through the regulation of Caspase3, Caspase9, CyclinD, CyclinE, MMP-9, and MMP-2 gene expression, indicating that the Nio-Cyclo-PEG formulation could significantly inhibit the cell cycle at the sub G1 phase as well as prevent the migration of cancer cells. In conclusion, Nio-Cyclo-PEG as developed in this study could serve as an active-targeting drug delivery nanocarriers for gastric cancer therapy with high efficacy and minimal side effects on healthy tissues/cells.
Pharmacokinetic Interactions between Canagliflozin and Sorafenib or Lenvatinib in Rats
Authors: Cui Yanjun , Li Ying , Guo Caihui , Li Yajing , Ma Yinling , Dong Zhanjun
Published: August 2022

Hepatocellular carcinoma (HCC) and type 2 diabetes mellitus (T2DM) are common clinical conditions, and T2DM is an independent risk factor for HCC. Sorafenib and lenvatinib, two multi-targeted tyrosine kinase inhibitors, are first-line therapies for advanced HCC, while canagliflozin, a sodium-glucose co-transporter 2 inhibitor, is widely used in the treatment of T2DM. Here, we developed an ultra-performance liquid chromatography-tandem mass spectrometry method for the simultaneous determination of canagliflozin, sorafenib, and lenvatinib, and investigated the pharmacokinetic drug interactions between canagliflozin and sorafenib or lenvatinib in rats. The animals were randomly divided into five groups. Groups I–III were gavage administrated with sorafenib, lenvatinib, and canagliflozin, respectively. Group IV received sorafenib and canagliflozin; while Group V received lenvatinib and canagliflozin. The area under the plasma concentration-time curves (AUC) and maximum plasma concentrations (Cmax) of canagliflozin increased by 37.6% and 32.8%, respectively, while the apparent volume of distribution (Vz/F) and apparent clearance (CLz/F) of canagliflozin significantly decreased (30.6% and 28.6%, respectively) in the presence of sorafenib. Canagliflozin caused a significant increase in AUC and Cmax of lenvatinib by 28.9% and 36.2%, respectively, and a significant decrease in Vz/F and CLz/F of lenvatinib by 52.9% and 22.7%, respectively. In conclusion, drug interactions exist between canagliflozin and sorafenib or lenvatinib, and these findings provide a reference for the use of these drugs in patients with HCC and T2DM.
Multivalent Pyrrolidine Iminosugars: Synthesis and Biological Relevance
Authors: Wang Yali , Xiao Jian , Meng Aiguo , Liu Chunyan
Published: August 2022

Recently, the strategy of multivalency has been widely employed to design glycosidase inhibitors, as glycomimetic clusters often induce marked enzyme inhibition relative to monovalent analogs. Polyhydroxylated pyrrolidines, one of the most studied classes of iminosugars, are an attractive moiety due to their potent and specific inhibition of glycosidases and glycosyltransferases, which are associated with many crucial biological processes. The development of multivalent pyrrolidine derivatives as glycosidase inhibitors has resulted in several promising compounds that stand out. Herein, we comprehensively summarized the different synthetic approaches to the preparation of multivalent pyrrolidine clusters, from total synthesis of divalent iminosugars to complex architectures bearing twelve pyrrolidine motifs. Enzyme inhibitory properties and multivalent effects of these synthesized iminosugars were further discussed, especially for some less studied therapeutically relevant enzymes. We envision that this comprehensive review will help extend the applications of multivalent pyrrolidine iminosugars in future studies.
Research on ACEI of Low-Molecular-Weight Peptides from Hirudo nipponia Whitman
Authors: Ding Zhao , Chen Keli , Chen Yunzhong
Published: August 2022

The renin-angiotensin system (RAS) is the primary pathway for regulating blood pressure in the body, and angiotensin-converting enzymes (ACEs) play a crucial role in it. Hirudo nipponia is an invertebrate that contains a variety of active peptides; however, there are no studies on the ACE inhibitory activity of hirudo. In the present study, our aim was to identify the active peptides in hirudo based on active peptide database analysis, unexpectedly filling the gap in hirudo ACE inhibitory activity research. Prep-HPLC was used to separate the part below 3 kD from hirudo. The peptide composition of the isolates was obtained based on Orbitrap LC-MS. The activity of each group of peptides was predicted by the database and the activity was determined by bioassay. Peptides with validation activity were screened through the database. In total, 337 peptides and 18 peptides matching the NCBI leech protein database were identified. All four fractions showed ACE inhibitory activity, and the IC50 was 0.8266, 0.2708, 0.4432, and 0.1764 mg/mL, respectively. Six screened peptides showed good affinity for ACE. This work reveals for the first time that low-molecular-weight peptides from H. nipponia have ACE inhibitory activity, which can provide a new explanation for leech treatment of hypertension.
Regulation of Antimicrobial Effect of Hemicyanine-Based Photosensitizer via Supramolecular Assembly
Authors: Yuan Huanxiang , Jia Shaochuan , Li Zelin , Liu Jian , Wang Xiaoyu , Qi Ruilian
Published: August 2022

An intelligent “antimicrobial switch” has been constructed to reduce prolonged exposure of pathogenic bacteria to antibiotics, which could reversibly “turn off” or “turn on” the antimicrobial activity of hemicyanines through self-assembly or dis-assembly of cucurbit[7]uril (CB[7]). This assembly effectively inhibited the production of ROS under light, shielding the active site of hemicyanines and achieving on-demand antimicrobial ability. Moreover, CB[7] differentially inhibits ROS of molecules with different alkyl chain lengths, which provided reference for the subsequent design of materials with antimicrobial activity regulation, and could effectively delay or even prevent the development of pathogens resistance.