bluuebunny/crossref_metadata_2025 huggingface dataset:
Normal Partner Curves of a Pseudo Null Curve on Dual Space Forms
Authors: Qian Jinhua , Tian Xueqian , Kim Young Ho
Published: June 2020

In this work, a kind of normal partner curves of a pseudo null curve on dual space forms is defined and studied. The Frenet frames and curvatures of a pseudo null curve and its associate normal curve on de-Sitter space, its associate normal curve on hyperbolic space, are related by some particular function and the angles between their tangent vector fields, respectively. Meanwhile, the relationships between the normal partner curves of a pseudo null curve are revealed. Last but not least, some examples are given and their graphs are plotted by the aid of a software programme.
A Regularity Criterion in Weak Spaces to Boussinesq Equations
Authors: Agarwal Ravi P. , Gala Sadek , Ragusa Maria Alessandra
Published: June 2020

In this paper, we study the regularity of weak solutions to the incompressible Boussinesq equations in R 3 × ( 0 , T ) . The main goal is to establish the regularity criterion in terms of one velocity component and the gradient of temperature in Lorentz spaces.
Generalized Almost Periodicity in Lebesgue Spaces with Variable Exponents
Authors: Kostić Marko , Du Wei-Shih
Published: June 2020

In this paper, we introduce and analyze Stepanov uniformly recurrent functions, Doss uniformly recurrent functions and Doss almost-periodic functions in Lebesgue spaces with variable exponents. We investigate the invariance of these types of generalized almost-periodicity in Lebesgue spaces with variable exponents under the actions of convolution products, providing also some illustrative applications to the abstract semilinear integro-differential inclusions in Banach spaces.
Qualitative Study of a Well-Stirred Isothermal Reaction Model
Authors: Arcet Barbara , Dukarić Maša , Kadyrsizova Zhibek
Published: June 2020

We consider a two-dimensional system which is a mathematical model for a temporal evolution of a well-stirred isothermal reaction system. We give sufficient conditions for the existence of purely imaginary eigenvalues of the Jacobian matrix of the system at its fixed points. Moreover, we show that the system admits a supercritical Hopf bifurcation.
Semi-Implicit Multistep Extrapolation ODE Solvers
Authors: Butusov Denis , Tutueva Aleksandra , Fedoseev Petr , Terentev Artem , Karimov Artur
Published: June 2020

Multistep methods for the numerical solution of ordinary differential equations are an important class of applied mathematical techniques. This paper is motivated by recently reported advances in semi-implicit numerical integration methods, multistep and extrapolation solvers. Here we propose a novel type of multistep extrapolation method for solving ODEs based on the semi-implicit basic method of order 2. Considering several chaotic systems and van der Pol nonlinear oscillator as examples, we implemented a performance analysis of the proposed technique in comparison with well-known multistep methods: Adams–Bashforth, Adams–Moulton and the backward differentiation formula. We explicitly show that the multistep semi-implicit methods can outperform the classical linear multistep methods, providing more precision in the solutions for nonlinear differential equations. The analysis of stability regions reveals that the proposed methods are more stable than explicit linear multistep methods. The possible applications of the developed ODE solver are the long-term simulations of chaotic systems and processes, solving moderately stiff differential equations and advanced modeling systems.
A Molecular Dynamics Study on Rotational Nanofluid and Its Application to Desalination
Authors: Tu Qingsong , Ibrahimi Wice , Ren Steven , Wu James , Li Shaofan
Published: June 2020

In this work, we systematically study a rotational nanofluidic device for reverse osmosis (RO) desalination by using large scale molecular dynamics modeling and simulation. Moreover, we have compared Molecular Dynamics simulation with fluid mechanics modeling. We have found that the pressure generated by the centrifugal motion of nanofluids can counterbalance the osmosis pressure developed from the concentration gradient, and hence provide a driving force to filtrate fresh water from salt water. Molecular Dynamics modeling of two different types of designs are performed and compared. Results indicate that this novel nanofluidic device is not only able to alleviate the fouling problem significantly, but it is also capable of maintaining high membrane permeability and energy efficiency. The angular velocity of the nanofluids within the device is investigated, and the critical angular velocity needed for the fluids to overcome the osmotic pressure is derived. Meanwhile, a maximal angular velocity value is also identified to avoid Taylor-Couette instability. The MD simulation results agree well with continuum modeling results obtained from fluid hydrodynamics theory, which provides a theoretical foundation for scaling up the proposed rotational osmosis device. Successful fabrication of such rotational RO membrane centrifuge may potentially revolutionize the membrane desalination technology by providing a fundamental solution to the water resource problem.
Investigation on the Dynamic Behavior of Weld Pool and Weld Microstructure during DP-GMAW for Austenitic Stainless Steel
Authors: Chen Tao , Xue Songbai , Zhang Peng , Wang Bo , Zhai Peizhuo , Long Weimin
Published: June 2020

The influence of heat and droplet transfer into weld pool dynamic behavior and weld metal microstructure in double-pulsed gas metal arc welding (DP-GMAW) was investigated by the self-designed high-speed welding photography system. The heat input, the arc pressure, the droplet momentum and impingement pressure were measured and calculated. It was found that the arc pressure is far less than the droplet impingement pressure. The heat input and droplet impingement pressure per unit time acting on weld pool were proportional to the current pulse frequency, which fluctuated with thermal pulse. The size and oscillation amplitude of the weld pool had noticeable periodic changes synchronized with the process of heat input and droplet impingement. Compared to the microstructure of pulsed gas metal arc welding (P-GMAW) weld metal, that of DP-GMAW weld metal was significantly refined. High oscillation amplitude assisted the enhancement of weld pool convection, which leads to more constitutional supercooling. The heat input and shear force during the peak of thermal pulse causing dendrite fragmentation which provided sufficient crystal nucleus for the growth of equiaxed grains and the possibility of grain refinement. The effects of current parameters on welding behavior and weld metal grain size are investigated for further understanding of DP-GMAW.
Effect of Mg–Ti Treatment on Nucleation Mechanism of TiN Inclusions and Ferrite
Authors: Qu Tianpeng , Zhang Caiwei , Wang Deyong , Zhan Jie , Tian Jun , Hou Dong
Published: June 2020

Large sizes of columnar crystals and TiN particles have a great influence on the surface quality of ferritic stainless steel. In the present paper, this study proposed to obtain fine-grained equiaxed structures by Mg–Ti treatment. Through the experiment happened in resistance furnace with argon protection, the refining effect of Mg–Ti addition on the microstructure and TiN particles were investigated, and the refinement mechanism was discussed from interface coherence theory. It was found that due to adding Mg and Ti into molten ferritic stainless steel, the equiaxed crystal ratio increased from 37% to 50%, and the size of TiN particles reduced at the same time. The lattice matching characteristics of MgAl2O4/TiN and TiN/δ-Fe were investigated by FIB-HRTEM. According to Bramfitt’s equation, the lattice misfit for (400)MgAl2O4∥(200)TiN and (200)TiN∥(110)δ-Fe was 5.02% and 4.41%, respectively, which were all belong to the effective nucleation range. It could be considered that MgO and MgAl2O4 formed in the molten steel promoted TiN nucleation easier to precipitate out with large quantities in the liquid phase. The TiN particles with more uniform distribution significantly enhanced the heterogenous nucleation of ferritic phase during initial solidification process base on the good lattice fitting condition. Finally the equiaxed crystal ratio of δ-Fe phase increased dramatically.
Microstructure and Hardness Evolution of Al8Zn7Ni3Mg Alloy after Casting at very Different Cooling Rates
Authors: Shurkin Pavel , Akopyan Torgom , Korotkova Nataliya , Prosviryakov Alexey , Bazlov Andrey , Komissarov Alexander , Moskovskikh Dmitry
Published: June 2020

In this study, we combined both a high strength Al-8%Zn-3%Mg aluminum matrix and a reinforcing contribution of Al3Ni intermetallics in Al8Zn7Ni3Mg hypereutectic alloy with a tuned microstructure via a variation of cooling rates from 0.1 K/s to 2.3 × 105 K/s. Using the Thermo-Calc software, we analyzed the effect of nickel content on the phase equilibria during solidification and found out that 7%Ni provides a formation of equal fractions of primary (6.5 vol.%) and eutectic (6.3 vol.%) crystals of the Al3Ni phase. Using microstructural analysis, a refinement of intermetallics with an increase in cooling rate was observed. It is remarkable that the structure after solidification at ~103 K/s across 1 mm flake casting consists of a quasi-eutectic with 1.5 μm Al3Ni fibers, while an increase in the cooling rate to ~105 K/s after melt spinning leads to the formation of 50 nm equiaxed Al3Ni particles. Under these conditions, the alloy showed an aging response at 200 °C, resulting in hardness of 200 HV and 220 HV, respectively. After 470 °C annealing, the fibers in the 1 mm sample evolved to needles. However, in melt-spun ribbons, the particles were kept globular and small-sized. Overall, the results may greatly contribute to the development of new eutectic type composites for rapid solidification methods.
Oxidized and Non-Oxidized Multiwalled Carbon Nanotubes as Materials for Adsorption of Lanthanum(III) Aqueous Solutions
Authors: Alguacil Francisco J. , García-Díaz Irene , Escudero Baquero Esther , Rodríguez Largo Olga , López Félix A.
Published: June 2020

The behavior of oxidized and non-oxidized multiwalled carbon nanotubes (MWCNTs) in the adsorption of lanthanum(III) from aqueous solutions is described. Metal uptake is studied as a function of several variables such as the stirring speed of the system, pH of the aqueous solution and metal and nanomaterial concentrations. The experimental results are fitted to various kinetic and isotherm models, the rate law being fitted to the film diffusion and particle diffusion models, when the non-oxidized and the oxidized nanomaterials are used to remove lanthanum from the solution, respectively. Sulfuric acid solutions seem to be appropriate to recover the metal from La-loaded nanomaterials.
Pulsed Laser Influence on Temperature Distribution during Dual Beam Laser Metal Deposition
Authors: Gipperich Marius , Riepe Jan , Arntz Kristian , Bergs Thomas
Published: June 2020

Wire-based Laser Metal Deposition (LMD-w) is a suitable manufacturing technology for a wide range of applications such as repairing, coating, or additive manufacturing. Employing a pulsed wave (pw) laser additionally to the continuous wave (cw) process laser has several positive effects on the LMD process stability. The pw-plasma has an influence on the cw-absorption and thus the temperature distribution in the workpiece. In this article, several experiments are described aiming to characterize the heat input during dual beam LMD. In the first setup, small aluminum and steel disks are heated up either by only cw or by combined cw and pw radiation. The absorbed energy is then determined by dropping the samples into water at ambient temperature and measuring the water’s temperature rise. In a second experiment, the temperature distribution in the deposition zone under real process conditions is examined by two-color pyrometer measurements. According to the results, the pw plasma leads to an increase of the effective absorption coefficient by more than 20%. The aim of this work is to achieve a deeper understanding of the physical phenomena acting during dual beam LMD and to deploy them selectively for a better and more flexible process control.
Effects of Genetic Variation on Urinary Small Molecule Signatures of Mice after Exposure to Ionizing Radiation: A Study of p53 Deficiency
Authors: Pannkuk Evan L. , Laiakis Evagelia C. , Ake Pelagie , Strawn Steven J. , Wang Yi-Wen , Fornace Albert J.
Published: June 2020

Due to risks from potential exposures to ionizing radiation (IR), improved radiological countermeasures are required, as well as rapid high-throughput biodosimetry. Genotypic variation in the general population contributes to differences in radiosensitivity that may affect biodosimetry accuracy. Previous studies utilized radiosensitive mutant mouse models (Parp1−/− and Atm−/−) to determine the effects of genotypic deficiency on radiation signatures. Here, we extend this approach by examining changes in the urinary metabolome in a hematopoietic (HP) resistant mouse model (p53−/−) after IR exposure. As p53 is a primary regulator in radiation response and apoptosis, limited hematopoietic stem cell apoptosis leads to reduced mortality at doses of ~8–10 Gy but increased mortality at higher doses (>15 Gy) due to mitotic catastrophe in gastrointestinal (GI) crypt cells. Urine was collected from mice (wild-type (WT), p53+/−, and p53−/−) pre-irradiation and at 4 and 24 h after total body irradiation (TBI) (WT: 8 and 10 Gy; p53−/−: 10 Gy) for metabolic phenotyping using an ultra-performance liquid chromatography mass spectrometry (UPLC-MS) platform. Minimal differences were detected between unirradiated WT, p53+/−, and p53−/− mice. While similar perturbations were observed for metabolites involved in tryptophan, vitamin B6, and histamine pathways, glycine conjugation, and redox metabolism for WT and p53−/− mice after TBI, an overall dampened response was observed in p53-deficient mice. Despite comparable metabolite patterns between genotypes, differentiation was achieved through receiver operating characteristic curve analysis with high specificity and sensitivity for carnitine, N1-acetylspermidine, and creatine. These studies highlight that both attenuated and dampened metabolic responses due to genetic variability in the general population need to be addressed in biodosimetry frameworks.
Diversity of Transmission Outcomes Following Co-Infection of Sheep with Strains of Bluetongue Virus Serotype 1 and 8
Authors: Veronesi Eva , Darpel Karin , Gubbins Simon , Batten Carrie , Nomikou Kyriaki , Mertens Peter , Carpenter Simon
Published: June 2020

Bluetongue virus (BTV) causes an economically important disease, bluetongue (BT), in susceptible ruminants and is transmitted primarily by species of Culicoides biting midges (Diptera: Ceratopogonidae). Since 2006, northern Europe has experienced multiple incursions of BTV through a variety of routes of entry, including major outbreaks of strains of BTV serotype 8 (BTV-8) and BTV serotype 1 (BTV-1), which overlapped in distribution within southern Europe. In this paper, we examined the variation in response to coinfection with strains of BTV-1 and BTV-8 using an in vivo transmission model involving Culicoides sonorensis, low passage virus strains, and sheep sourced in the United Kingdom. In the study, four sheep were simultaneously infected using BTV-8 and BTV-1 intrathoracically inoculated C. sonorensis and co-infections of all sheep with both strains were established. However, there were significant variations in both the initiation and peak levels of virus RNA detected throughout the experiment, as well as in the infection rates in the C. sonorensis that were blood-fed on experimentally infected sheep at peak viremia. This is discussed in relation to the potential for reassortment between these strains in the field and the policy implications for detection of BTV strains.
The Role of Cyanobacterial External Layers in Mass Transfer: Evidence from Temperature Shock Experiments by Noninvasive Microtest Technology
Authors: Xiao Yan , Liu Lingxin , Li Zhe , Cheng Yuran
Published: June 2020

Groundwork on cyanobacterial external layers is crucial for an improved understanding of the persistent dominance of cyanobacteria in freshwaters. In this study, the role of two morphotypes of external layers in Microcystis and Nostoc in mass transfer and instantaneous temperature shock were explored by noninvasive microtest technology (NMT) after a series of pretreatments, to obtain the external layers retained or stripped samples. The results showed no statistical influence on photosynthetic activity between retained and stripped samples in both Microcystis and Nostoc. External-layer-retaining strains had higher net O2 effluxes than stripped strains. Moreover, the net NH4+ influx was significantly higher for the sheath retaining Nostoc than for the stripped sample, indicating that external layers might be an important feature driving mass transfer in cyanobacteria. However, the role of slime in NH4+ absorption was limited compared with that of sheath. In addition, external-layer-retaining strains exhibited a longer response time to instantaneous temperature shock, greater net O2 effluxes at a 4 °C shock and lower net O2 influx at a 35 °C shock, which were interpreted as reflecting a tolerance to temperature fluctuation over short time scales via a buffer function of external layers to stabilize cell activity, ameliorating the efficiency of photosynthesis and respiration. These results advance current knowledge regarding the external layers, especially the dense sheath, involved in the mass transfer in cyanobacteria, and provide new clues concerning the adaptive strategies of cyanobacteria under global climate changes.
Thymol and Carvacrol Downregulate the Expression of Salmonella typhimurium Virulence Genes during an In Vitro Infection on Caco-2 Cells
Authors: Giovagnoni Giulia , Rossi Barbara , Tugnoli Benedetta , Ghiselli Federico , Bonetti Andrea , Piva Andrea , Grilli Ester
Published: June 2020

Salmonella typhimurium is one of the major bacteria responsible for gastroenteritis in humans caused by foodborne pathogens. As pork is one of the main routes of transmission, bioactive compounds used as feed additives may be an important strategy to control Salmonella typhimurium. The aim of this study was to assess the antimicrobial activity of several organic acids and nature identical compounds against Salmonella typhimurium ATCC®® 6994™. Moreover, the effect of sub-lethal concentrations of thymol and carvacrol in counteracting a Salmonella typhimurium in vitro infection on Caco-2 cells was evaluated, focusing on the maintenance of the epithelial barrier and the alteration of Salmonella virulence genes. The results showed a protective effect of the compounds on the integrity of the intestinal monolayer, improving transepithelial electrical resistance and bacterial translocation compared to the non-treated cells. A real-time PCR study highlighted a significant downregulation of the main virulence genes of Salmonella (hilA, prgH, invA, sipA, sipC, sipD, sopB, sopE2). These findings indicate that thymol and carvacrol could be good candidates for the control of Salmonella typhimurium in pigs.
Crossing the Vacuolar Rubicon: Structural Insights into Effector Protein Trafficking in Apicomplexan Parasites
Authors: Egea Pascal F.
Published: June 2020

Apicomplexans form a large phylum of parasitic protozoa, including the genera Plasmodium, Toxoplasma, and Cryptosporidium, the causative agents of malaria, toxoplasmosis, and cryptosporidiosis, respectively. They cause diseases not only in humans but also in animals, with dramatic consequences in agriculture. Most apicomplexans are vacuole-dwelling and obligate intracellular parasites; as they invade the host cell, they become encased in a parasitophorous vacuole (PV) derived from the host cellular membrane. This creates a parasite–host interface that acts as a protective barrier but also constitutes an obstacle through which the pathogen must import nutrients, eliminate wastes, and eventually break free upon egress. Completion of the parasitic life cycle requires intense remodeling of the infected host cell. Host cell subversion is mediated by a subset of essential effector parasitic proteins and virulence factors actively trafficked across the PV membrane. In the malaria parasite Plasmodium, a unique and highly specialized ATP-driven vacuolar secretion system, the Plasmodium translocon of exported proteins (PTEX), transports effector proteins across the vacuolar membrane. Its core is composed of the three essential proteins EXP2, PTEX150, and HSP101, and is supplemented by the two auxiliary proteins TRX2 and PTEX88. Many but not all secreted malarial effector proteins contain a vacuolar trafficking signal or Plasmodium export element (PEXEL) that requires processing by an endoplasmic reticulum protease, plasmepsin V, for proper export. Because vacuolar parasitic protein export is essential to parasite survival and virulence, this pathway is a promising target for the development of novel antimalarial therapeutics. This review summarizes the current state of structural and mechanistic knowledge on the Plasmodium parasitic vacuolar secretion and effector trafficking pathway, describing its most salient features and discussing the existing differences and commonalities with the vacuolar effector translocation MYR machinery recently described in Toxoplasma and other apicomplexans of significance to medical and veterinary sciences.
Shorter Antibacterial Peptide Having High Selectivity for E. coli Membranes and Low Potential for Inducing Resistance
Authors: Barreto-Santamaría Adriana , Rivera Zuly Jenny , García Javier Eduardo , Curtidor Hernando , Patarroyo Manuel Elkin , Patarroyo Manuel Alfonso , Arévalo-Pinzón Gabriela
Published: June 2020

Antimicrobial peptides (AMPs) have been recognised as a significant therapeutic option for mitigating resistant microbial infections. It has been found recently that Plasmodium falciparum-derived, 20 residue long, peptide 35409 had antibacterial and haemolytic activity, making it an AMP having reduced selectivity, and suggesting that it should be studied more extensively for obtaining new AMPs having activity solely targeting the bacterial membrane. Peptide 35409 was thus used as template for producing short synthetic peptides (<20 residues long) and evaluating their biological activity and relevant physicochemical characteristics for therapeutic use. Four of the sixteen short peptides evaluated here had activity against E. coli without any associated haemolytic effects. The 35409-1 derivative (17 residues long) had the best therapeutic characteristics as it had high selectivity for bacterial cells, stability in the presence of human sera, activity against E. coli multiresistant clinical isolates and was shorter than the original sequence. It had a powerful membranolytic effect and low potential for inducing resistance in bacteria. This peptide’s characteristics highlighted its potential as an alternative for combating infection caused by E. coli multiresistant bacteria and/or for designing new AMPs.
Porphyromonas gingivalis, a Long-Range Pathogen: Systemic Impact and Therapeutic Implications
Authors: Mulhall Hannah , Huck Olivier , Amar Salomon
Published: June 2020

Periodontitis is an inflammatory disease associated with a dysbiosis of the oral flora characterized by a chronic sustained inflammation leading to destruction of tooth-supporting tissues. Over the last decade, an association between periodontitis and systemic disorders such as cardiovascular diseases, rheumatoid arthritis and obesity has been demonstrated. The role of periodontal pathogens, notably Porphyromonas gingivalis (P. gingivalis), in the onset or exacerbation of systemic diseases has been proposed. P. gingivalis expresses several virulence factors that promote its survival, spreading, and sustaining systemic inflammation. Recently, the impact of periodontitis on gut dysbiosis has also been suggested as a potential mechanism underlying the systemic influence of periodontitis. New therapeutic strategies for periodontitis and other dysbiotic conditions, including the use of beneficial microbes to restore healthy microbial flora, may pave the way to improved therapeutic outcomes and more thorough patient management.
Arbuscular Mycorrhizal Fungal Communities of Native Plant Species under High Petroleum Hydrocarbon Contamination Highlights Rhizophagus as a Key Tolerant Genus
Authors: Lee Soon-Jae , Kong Mengxuan , St-Arnaud Marc , Hijri Mohamed
Published: June 2020

Arbuscular mycorrhizal fungi (AMF) have been shown to play an important role in increasing plant fitness in harsh conditions. Therefore, AMF are currently considered to be effective partners in phytoremediation. However, AMF communities in high levels of petroleum pollution are still poorly studied. We investigated the community structures of AMF in roots and rhizospheric soils of two plant species, Eleocharis elliptica and Populus tremuloides, growing spontaneously in high petroleum-contaminated sedimentation basins of a former petrochemical plant (91,000 μg/Kg of C10–C50 was recorded in a basin which is 26-fold higher than the threshold of polluted soil in Quebec, Canada). We used a PCR cloning, and sequencing approach, targeting the 18S rRNA gene to identify AMF taxa. The high concentration of petroleum-contamination largely influenced the AMF diversity, which resulted in less than five AMF operational taxonomical units (OTUs) per individual plant at all sites. The OTUs detected belong mainly to the Glomerales, with some from the Diversisporales and Paraglomerales, which were previously reported in high concentrations of metal contamination. Interestingly, we found a strong phylogenetic signal in OTU associations with host plant species identity, biotopes (roots or soils), and contamination concentrations (lowest, intermediate and highest). The genus Rhizophagus was the most dominant taxon representing 74.4% of all sequences analyzed in this study and showed clear association with the highest contamination level. The clear association of Rhizophagus with high contamination levels suggests the importance of the genus for the use of AMF in bioremediation, as well as for the survey of key AMF genes related to petroleum hydrocarbon resistance. By favoring plant fitness and mediating its soil microbial interactions, Rhizophagus spp. could enhance petroleum hydrocarbon pollutant degradation by both plants and their microbiota in contaminated sites.
Influence of Drying Method on Some Bioactive Compounds and the Composition of Volatile Components in Dried Pink Rock Rose (Cistus creticus L.)
Authors: Matłok Natalia , Lachowicz Sabina , Gorzelany Józef , Balawejder Maciej
Published: June 2020

This study investigates the effects of various drying methods applied to leaves of Cistus creticus L. on the contents of polyphenols and the composition of the volatile fraction. The following four drying methods were used: convection drying at a temperature of 40 °C (CD 40 °C), 50 °C (CD 50 °C), and 60 °C (CD 60 °C); vacuum-microwave (VMD 240 W); combined drying, involving convection pre-drying (50 °C) and vacuum-microwave (240 W) finish drying (CPD-VMFD) as well as freeze-drying (FD). Polyphenols in the dried leaves were determined using chromatography-photodiode detector-quadrupole/time of flight-mass spectrometry (UPLC-PDA-Q/TOF-MS). The contents of odoriferous substances in the dry material were determined by means of head space-solid phase microextraction (HS-SPME) with the use of a gas chromatograph (GC). Thirty-seven polyphenol components including 21 flavonols, eight flavan-3-ols, and eight hydrolyzed tannins in dry Pink Rock Rose material were found for the first time. The highest contents of polyphenols, totaling 2.8 g 100 g−1 dry matter (d.m.), were found in the samples subjected to the CPD/VMFD drying method. Pink Rock Rose subjected to this drying method was characterized by large quantities of odoriferous compounds, mainly eugenol, thymol, and carvacrol, which contribute to its antiseptic properties. By using CPD/VMFD methods, it is possible to obtain fine quality dry material from the leaves of C. creticus.
Nanoformulated Ajwa (Phoenix Dactylifera) Bioactive Compounds Improve the Safety of Doxorubicin without Compromising Its Anticancer Efficacy in Breast Cancer
Authors: Godugu Kavitha , El-Far Ali , Al Jaouni Soad , Mousa Shaker
Published: June 2020

One of the major causes of women’s death in the world is breast cancer. Consequently, numerous regimens for the control of this severe disease have been created. The chemotherapeutic agent doxorubicin (DOX) is frequently used to treat breast cancer, but DOX can also cause cardiotoxic effects that lead to heart failure. Therefore, many research studies have been done to find a natural product that effectively potentiates or does not interfere with DOX’s anticancer effect and protects against its cardiotoxicity. We studied the impact of combined nanoformulated Ajwa (Phoenix dactylifera) selected bioactive compounds (BAC) rutin (R) and quercetin (Q) in nude mice breast cancer xenografts on DOX-mediated anticancer efficacy. We also studied if this Ajwa BAC could safeguard against DOX-mediated cardiomyopathies by evaluating plasma cardiac troponin-I (cTn-I) levels and cardiac histopathology. Nanoformulated Ajwa BAC effectively alleviated weight loss induced by DOX in mice and significantly decreased the elevated cTn-I. Furthermore, 5 mg RQ-NPs/kg of nude mice that subcutaneously daily injected for 11 days, attenuated the histopathological alterations induced in cardiac muscles due to DOX without any interference with the anticancer effects of DOX against breast cancer.
Comparison of Phytochemicals, Antioxidant, and In Vitro Anti-Alzheimer Properties of Twenty-Seven Morus spp. Cultivated in Thailand
Authors: Temviriyanukul Piya , Sritalahareuthai Varittha , Jom Kriskamol Na , Jongruaysup Butsara , Tabtimsri Somying , Pruesapan Kanchana , Thangsiri Sirinapa , Inthachat Woorawee , Siriwan Dalad , Charoenkiatkul Somsri , Suttisansanee Uthaiwan
Published: June 2020

Alzheimer’s disease (AD) is a progressive neurodegenerative disorder. To fight the disease, natural products, including mulberry, with antioxidant activities and inhibitory activities against key enzymes (acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and beta-secretase 1 (BACE-1)) are of interest. However, even in the same cultivars, mulberry trees grown in different populated locations might possess disparate amounts of phytochemical profiles, leading to dissimilar health properties, which cause problems when comparing different cultivars of mulberry. Therefore, this study aimed to comparatively investigate the phytochemicals, antioxidant activities, and inhibitory activities against AChE, BChE, and BACE-1, of twenty-seven Morus spp. cultivated in the same planting area in Thailand. The results suggested that Morus fruit samples were rich in phenolics, especially cyanidin, kuromanin, and keracyanin. Besides, the aqueous Morus fruit extracts exhibited antioxidant activities, both in single electron transfer (SET) and hydrogen atom transfer (HAT) mechanisms, while strong inhibitory activities against AD key enzymes were observed. Interestingly, among the twenty-seven Morus spp., Morus sp. code SKSM 810191 with high phytochemicals, antioxidant activities and in vitro anti-AD properties is a promising cultivar for further developed as a potential mulberry resource with health benefits against AD.
Stepwise Ethanol-Water Fractionation of Enzymatic Hydrolysis Lignin to Improve Its Performance as a Cationic Dye Adsorbent
Authors: Sui Wenjie , Pang Tairan , Wang Guanhua , Liu Cuiyun , Parvez Ashak Mahmud , Si Chuanling , Li Chao
Published: June 2020

In this work, lignin fractionation is proposed as an effective approach to reduce the heterogeneity of lignin and improve the adsorption and recycle performances of lignin as a cationic dye adsorbent. By stepwise dissolution of enzymatic hydrolysis lignin in 95% and 80% ethanol solutions, three lignin subdivisions (95% ethanol-soluble subdivision, 80% ethanol-soluble subdivision, and 80% ethanol-insoluble subdivision) were obtained. The three lignin subdivisions were characterized by gel permeation chromatography (GPC), FTIR, 2D-NMR and scanning electron microscopy (SEM), and their adsorption capacities for methylene blue were compared. The results showed that the 80% ethanol-insoluble subdivision exhibited the highest adsorption capacity and its value (396.85 mg/g) was over 0.4 times higher than that of the unfractionated lignin (281.54 mg/g). The increased adsorption capacity was caused by the enhancement of both specific surface area and negative Zeta potential. The maximum monolayer adsorption capacity of 80% ethanol-insoluble subdivision by adsorption kinetics and isotherm studies was found to be 431.1 mg/g, which was much higher than most of reported lignin-based adsorbents. Moreover, the 80% ethanol-insoluble subdivision had much higher regeneration yield (over 90% after 5 recycles) compared with the other two subdivisions. Consequently, the proposed fractionation method is proved to be a novel and efficient non-chemical modification approach that significantly improves adsorption capacity and recyclability of lignin.
Dual Action of Dipyridothiazine and Quinobenzothiazine Derivatives—Anticancer and Cholinesterase-Inhibiting Activity
Authors: Jończyk Jakub , Godyń Justyna , Stawarska Ewelina , Morak-Młodawska Beata , Jeleń Małgorzata , Pluta Krystian , Malawska Barbara
Published: June 2020

The inverse correlation observed between Alzheimer’s disease (AD) and cancer has prompted us to look for cholinesterase-inhibiting activity in phenothiazine derivatives that possess anticancer properties. With the use of in silico and in vitro screening methods, our study found a new biological activity in anticancer polycyclic, tricyclic, and tetracyclic compounds. The virtual screening of a library of 120 ligands, which are the derivatives of azaphenothiazine, led to the identification of 25 compounds that can act as potential inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). Biological assays revealed the presence of selective inhibitors of eeAChE (electric eel AChE) or eqBuChE (equine serum BuChE) and nonselective inhibitors of both enzymes among the tested compounds. Their potencies against eeAChE were in a submicromolar-to-micromolar range with IC50 values from 0.78 to 19.32 μM, while their IC50 values against eqBuChE ranged from 0.46 to 10.38 μM. The most potent among the compounds tested was the tetracyclic derivative, 6-(4-diethylaminobut-2-ynyl)-9-methylthioquinobenzothiazine 24, which was capable of inhibiting both enzymes. 9-Fluoro-6-(1-piperidylethyl)quinobenzothiazine 23 was found to act as a selective inhibitor of eqBuChE with an IC50 value of 0.46 μM. Compounds with such a dual antitumor and cholinesterase-inhibitory activity can be considered as a valuable combination for the treatment of both cancer and AD prevention. The results presented in this study might open new directions of research on the group of tricyclic phenothiazine derivatives.
Osteomeles schwerinae Extract and Its Major Compounds Inhibit Methylglyoxal-Induced Apoptosis in Human Retinal Pigment Epithelial Cells
Authors: Pyun Bo-Jeong , Kim Young Sook , Lee Ik Soo , Jung Dong Ho , Kim Joo-Hwan , Kim Jin Sook
Published: June 2020

The accumulation and formation of advanced glycation end products (AGEs) are related to diabetes and age-related disease. Osteomeles schwerinae C. K. Schneid. (Rosaceae, OSSC) is used traditionally for the treatment of various diseases in Asia. Previous studies have shown that OSSC elicits preventive effects in an in vivo model of diabetes. This study was to evaluate the antiapoptotic effects of dried leaves and twigs of OSSC extract and its major compounds in ARPE-19 cells—spontaneously arising human retinal pigment epithelial cells—under diabetic conditions. To examine the effects of an OSSC extract and its active compounds (acetylvitexin, hyperoside and quercitrin) on apoptosis in methylglyoxal (MG, the active precursor in the formation of AGEs)-treated ARPE-19 cells and the mechanism by which these effects occur, apoptosis was measured using flow cytometry analysis. Protein expression levels of phospho-p53 (p-p53), Bax and Bcl-2 were determined by western blot analyses. The OSSC extract inhibited apoptosis in MG-treated ARPE-19 cells in a dose-dependent manner. The major compounds also reduced the rate of apoptosis. Both the extract and major compounds also inhibited the expression of p-p53 and Bax and increased the levels of Bcl-2 that had been previously reduced by MG treatment. The OSSC extract (0.1 μg/mL) and its major compounds (0.01 μM) attenuated apoptosis in ARPE-19 cells under toxic diabetic conditions by downregulating of expression of p-p53 and Bax. OSSC may serve as an alternative therapy to retard the development of diabetic retinopathy.
Genus Ophiorrhiza: A Review of Its Distribution, Traditional Uses, Phytochemistry, Biological Activities and Propagation
Authors: Taher Muhammad , Shaari Siti Syazwani , Susanti Deny , Arbain Dayar , Zakaria Zainul Amiruddin
Published: June 2020

Almost 50 species of Ophiorrhiza plants were reviewed in this work and the main objective is to critically analyse their distribution, phytochemical content, biological activity, and propagation. Moreover, the information would be useful in promoting the relevant uses of the plant, especially in the medicinal fields based on in vitro and in vivo studies. To this end, scientific sources, including theses, PubMed, Google Scholar, International Islamic University Malaysia IIUM EBSCO, PubChem, and Elsevier, were accessed for publications regarding the Ophiorrhiza genus in this review. Scientific literature regarding the Ophiorrhiza plants revealed their wide distribution across Asia and the neighbouring countries, whereby they were utilised as traditional medicine to treat various diseases. In particular, various active compounds, such as alkaloids, flavonoids, and terpenoids, were reported in the plant. Furthermore, the Ophiorrhiza species showed highly diverse biological activities, such as anti-cancer, antiviral, antimicrobial, and more. The genus propagation reported could produce a high quality and quantity of potent anticancer compound, namely camptothecin (CPT). Hence, it is believed that the relevant uses of natural compounds present in the plants can replace the existing crop of synthetic anticancer drugs associated with a multitude of unbearable side effects. Additionally, more future studies on the Ophiorrhiza species should be undertaken to establish the links between its traditional uses, active compounds, and pharmacological activities reported.
The Study on the hERG Blocker Prediction Using Chemical Fingerprint Analysis
Authors: Choi Kwang-Eun , Balupuri Anand , Kang Nam Sook
Published: June 2020

Human ether-a-go-go-related gene (hERG) potassium channel blockage by small molecules may cause severe cardiac side effects. Thus, it is crucial to screen compounds for activity on the hERG channels early in the drug discovery process. In this study, we collected 5299 hERG inhibitors with diverse chemical structures from a number of sources. Based on this dataset, we evaluated different machine learning (ML) and deep learning (DL) algorithms using various integer and binary type fingerprints. A training set of 3991 compounds was used to develop quantitative structure–activity relationship (QSAR) models. The performance of the developed models was evaluated using a test set of 998 compounds. Models were further validated using external set 1 (263 compounds) and external set 2 (47 compounds). Overall, models with integer type fingerprints showed better performance than models with no fingerprints, converted binary type fingerprints or original binary type fingerprints. Comparison of ML and DL algorithms revealed that integer type fingerprints are suitable for ML, whereas binary type fingerprints are suitable for DL. The outcomes of this study indicate that the rational selection of fingerprints is important for hERG blocker prediction.
Composite Graphene-Containing Porous Materials from Carbon for Capacitive Deionization of Water
Authors: Bakhia Tamuna , Khamizov Ruslan Kh. , Bavizhev Zaur R. , Bavizhev Mukhamed D. , Konov Magomet A. , Kozlov Daniil A. , Tikhonova Snezhana A. , Maslakov Konstantin I. , Ashurov Matin S. , Melezhik Alexander V. , Kurnosov Dmitry A. , Burakov Alexander E. , Tkachev Aleksey G.
Published: June 2020

New techniques were developed for the synthesis of monolithic highly porous composite aerogels (hydrogels) from reduced graphene oxide and carbon nanotubes, as well as graphene-containing composites based on mesoporous activated carbon. Simple operations for hydrophilization of synthesized samples were proposed. New electrode materials for electrosorption and deionization of water were fabricated. The resulting materials were investigated and tested in electrochemical cells for membrane capacitive deionization (MCDI).
Generation of High Affinity Anti-Peptide Polyclonal Antibodies Recognizing Goat αs1-Casein
Authors: Mohsin Aliah Zannierah , Sukor Rashidah , Selamat Jinap , Meor Hussin Anis Shobirin , Ismail Intan Hakimah , Jambari Nuzul Noorahya , Mustaffa-Kamal Farina
Published: June 2020

The chemical, technological and allergy properties of goat’s milk are significantly affected by the level of αs1-casein. Detection and quantification of αs1-casein requires high-specificity methods to overcome high-sequence similarity between this protein and others in the casein family. Unavailability of antibodies with high affinity and specificity towards goat αs1-casein hinders the development of immuno-based analytical methods such as enzyme-linked immunosorbent assay (ELISA) and biosensors. Here, we report the generation of polyclonal antibodies (or immunoglobulins, IgGs) raised towards goat αs1-casein N- (Nter) and C-terminal (Cter) peptide sequences. The Nter and Cter peptides of goat αs1-casein were immunized in rabbits for the generation of antisera, which were purified using protein G affinity chromatography. The binding affinity of the antisera and purified IgGs were tested and compared using indirect ELISA, where peptide-BSA conjugates and goat αs1-casein were used as the coating antigens. The Nter antiserum displayed higher titer than Cter antiserum, at 1/64,000 and 1/32,000 dilutions, respectively. The purification step further yielded 0.5 mg/mL of purified IgGs from 3 mL of antisera. The purified Nter IgG showed a significantly (p < 0.05) higher binding affinity towards peptide-BSA and goat αs1-casein, with lower Kd value at 5.063 × 10−3 μM compared to 9.046 × 10−3 μM for the Cter IgG. A cross-reactivity test showed that there was no binding in neither Nter nor Cter IgGs towards protein extracts from the milk of cow, buffalo, horse and camel. High-quality antibodies generated will allow further development of immuno-based analytical methods and future in vitro studies to be conducted on goat αs1-casein.
Chemical Bonding: The Journey from Miniature Hooks to Density Functional Theory
Authors: Constable Edwin C. , Housecroft Catherine E.
Published: June 2020

Our modern understanding of chemistry is predicated upon bonding interactions between atoms and ions resulting in the assembly of all of the forms of matter that we encounter in our daily life. It was not always so. This review article traces the development of our understanding of bonding from prehistory, through the debates in the 19th century C.E. bearing on valence, to modern quantum chemical models and beyond.
Cellulose as a Delivery System of Raspberry Juice Volatiles and Their Stability
Authors: Vukoja Josipa , Pichler Anita , Ivić Ivana , Šimunović Josip , Kopjar Mirela
Published: June 2020

Formulation of delivery systems for active ingredients is of increasing importance for the food industry. For that purpose, we selected cellulose as a carrier polymer of raspberry volatiles. Freeze-dried cellulose/raspberry complexes were prepared by complexation of raspberry juice (constant amount) and cellulose (2.5%, 5%, 7.5% and 10%). In our study, cellulose was shown as a good carrier of raspberry juice volatiles. Thirty-nine volatiles were detected in raspberry juice while 11 of them were lost during preparation of the complexes. Berry flavor note was the dominant one in raspberry juice (40% of overall flavor), followed by citrus and woody notes (each around 18% of overall flavor) and floral, fruity, and green (each around 8% of overall flavor). Cellulose/raspberry complexes had different flavor profiles, but a berry flavor note was still the dominant one in all complexes. These results suggest an efficient plant-based approach to produce value-added cellulose/volatile dry complexes with possible utility as food flavoring ingredients.
Computational and Crystallographic Examination of Naphthoquinone Based Diarylethene Photochromes
Authors: Patel Dinesh G. , Boggio-Pasqua Martial , Mitchell Travis B. , Walton Ian M. , Quigley William R. , Novak Frank A.
Published: June 2020

Photochromic compounds have a lengthy history of study and a profusion of applications that stand to gain from these studies. Among the classes of photochromic compounds, diarylethenes show desirable properties including high fatigue resistance and thermal stability, thus meeting some of the most important criteria necessary to enter the realm of practical applications. Recently, photochromic diarylethenes containing quinone functionalities have demonstrated interesting optical and solid-state properties. When properly interfaced with suitable electron withdrawing groups on the aryl component, both the ring-opening and ring-closing reactions can be achieved with visible light; this is in contrast to most other diarylethenes where UV light is required for ring closure. Unfortunately, quantitative conversion from open to closed forms is not possible. In this work, we examine the relative energies of conformations of solid-state structures observed by X-ray crystallography and evaluate their thermal stabilities based on density functional theory (DFT) calculations. Time-dependent DFT (TD–DFT) is used to model the UV-vis absorption spectra of these quinone diarylethenes. We show that spectral overlap between open and closed forms is a major hindrance to full photoconversion.
Sialic Acid Metabolic Engineering of Breast Cancer Cells Interferes with Adhesion and Migration
Authors: Nagasundaram Manimozhi , Horstkorte Rüdiger , Gnanapragassam Vinayaga Srinivasan
Published: June 2020

Breast cancer is the most frequent cancer diagnosed in women and the second most common cancer-causing death worldwide. The major problem around the management of breast cancer is its high heterogeneity and the development of therapeutic resistance. Therefore, understanding the fundamental breast cancer biology is crucial for better diagnosis and therapy. Protein sialylation is a key posttranslational modification of glycoproteins, which is also involved in tumor progression and metastasis. Increased expression of sialic acids (Sia) can interfere in receptor–ligand interactions and might protect tumor cells from the immune system. Furthermore, Sia content on the cell membrane plays a role in cancer resistance towards chemo- and radiation therapy. In this study, we glycoengineered MCF-7 breast cancer cells using a series of non-natural Sia precursors, which are prolonged in their acyl side chain. We observed a significant reduction in the natural Sia (N-Acetylneuraminic acid) expression after cultivation of MCF-7 cells with these Sia precursors. In addition, the expression of polySia, a unique glycosylation of the neural cell adhesion molecule NCAM, which interferes with cell adhesion, was decreased. We conclude that sialic acid engineering i) opens up novel opportunities to study the biological role of Sia in breast cancer and ii) provides a toolbox to examine the sialic acid-dependent complex cellular alterations in breast cancer cell biology.