bluuebunny/crossref_metadata_2025 huggingface dataset:
Study on the Calculation Method of Stress in Strong Constraint Zones of the Concrete Structure on the Pile Foundation Based on Eshelby Equivalent Inclusion Theory
Authors: Yuan Min , Zhou Dan , Chen Jian , Hua Xia , Qiang Sheng
Published: August 2020

In view of the strong constraint zones of the concrete structure on the pile foundation, there are some differences between the calculation results of the isotropic equivalent pile foundation by the volume replacement ratio method and the actual engineering. In this paper, referring to the relevant algorithm of rock mass with anchor, the anchor and rock mass are, respectively, compared to pile and surrounding soil foundation. Eshelby equivalent inclusion theory is introduced into the equivalent mechanical model of soil foundation with pile, and a new equivalent pile foundation algorithm considering anisotropic elastic constant is compiled by Fortran. Three kinds of calculation methods are used to calculate the stress field of the concrete structure of the large pump station on the pile foundation during the construction period, and the stress in the strong constraint zones of the concrete structure are mainly analyzed. It is found that the calculation accuracy of Algorithm 3 is the highest, and the calculation results of Algorithm 2 can be modified by the coefficients to achieve the calculation accuracy of Algorithm 3 and the calculation efficiency is actually improved. Finally, the accuracy of the proposed method is verified by the engineering measured data.
Fabrication of Superhydrophobic Ti–6Al–4V Surfaces with Single-Scale Micotextures by using Two-Step Laser Irradiation and Silanization
Authors: He Haidong , Hua Risheng , Li Xuan , Wang Chunju , Ning Xuezhong , Sun Lining
Published: August 2020

Laser irradiation is a popular method to produce microtextures on metal surfaces. However, the common laser-produced microtextures were hierarchical (multiscale), which may limit their applicability. In this paper, a method of two-step laser irradiation, combining first-step strong ablation and sequentially second-step gentle ablation, was presented to produce micron-rough surface with single-scale microtextures. The effect of laser fluence on the Ti–6Al–4V surface morphology and wettability were investigated in detail. The morphology results revealed that the microtextures produced using this method gradually evolved from multiscale to single-scale meanwhile from microprotrusions to microholes with increasing the second-step laser fluence from 0.0 to 2.4 J/cm2. The wettability and EDS/XPS results indicated that attributing to the rich TiO2 content and micron roughness produced by laser irradiation, all the two-step laser-irradiated surfaces exhibited superhydrophilicity. In addition, after silanization, all these superhydrophilic surfaces immediately turned to be superhydrophobic with close water contact angles of 155–162°. However, due to the absence of nanotextures, the water-rolling angle on the superhydrophobic surfaces with single-scale microtextures distinctly larger than those with multiscale ones. Finally, using the two-step laser-irradiation method and assisted with silanization, multifunctional superhydrophobic Ti–6Al–4V surfaces were achieved, including self-cleaning, guiding of the water-rolling direction and anisotropic water-rolling angles (like the rice-leaf), etc.
On the Digital Cohomology Modules
Authors: Lee Dae-Woong
Published: August 2020

In this paper, we consider the digital cohomology modules of a digital image consisting of a bounded and finite subset of Zn and an adjacency relation. We construct a contravariant functor from the category of digital images and digital continuous functions to the category of unitary R-modules and R-module homomorphisms via the category of cochain complexes of R-modules and cochain maps, where R is a commutative ring with identity 1R. We also examine the digital primitive cohomology classes based on digital images and find the relationship between R-module homomorphisms of digital cohomology modules induced by the digital convolutions and digital continuous functions.
Classifications of Canal Surfaces with the Gauss Maps in Minkowski 3-Space
Authors: Qian Jinhua , Tian Xueqian , Fu Xueshan , Kim Young Ho
Published: August 2020

In this work, we study the canal surfaces foliated by pseudo spheres S12 along a Frenet curve in terms of their Gauss maps in Minkowski 3-space. Such kind of surfaces with pointwise 1-type Gauss maps are classified completely. For example, the canal surface with proper pointwise 1-type Gauss map of the first kind if and only if it is a part of a minimal surface of revolution.
Stability of Ulam–Hyers and Existence of Solutions for Impulsive Time-Delay Semi-Linear Systems with Non-Permutable Matrices
Authors: Mahmudov Nazim I. , Almatarneh Amal M.
Published: September 2020

In this paper, the stability of Ulam–Hyers and existence of solutions for semi-linear time-delay systems with linear impulsive conditions are studied. The linear parts of the impulsive systems are defined by non-permutable matrices. To obtain solution for linear impulsive delay systems with non-permutable matrices in explicit form, a new concept of impulsive delayed matrix exponential is introduced. Using the representation formula and norm estimation of the impulsive delayed matrix exponential, sufficient conditions for stability of Ulam–Hyers and existence of solutions are obtained.
Changes in Muscle Mass and Composition by Exercise and Hypoxia as Assessed by DEXA in Mice
Authors: McNair Benjamin D. , Marcello Nicholas A. , Smith Derek T. , Schmitt Emily E. , Bruns Danielle R.
Published: September 2020

Background and Objective: Skeletal muscle is critical for overall health and predicts quality of life in several chronic diseases, thus quantification of muscle mass and composition is necessary to understand how interventions promote changes in muscle quality. The purpose of this investigation was to quantify changes in muscle mass and composition in two distinct pre-clinical models of changes in muscle quality using a clinical dual X-ray absorptiometry (DEXA), validated for use in mice. Materials and Methods: Adult C57Bl6 male mice were given running wheels (RUN; muscle hypertrophy) or placed in hypobaric hypoxia (HH; muscle atrophy) for four weeks. Animals received weekly DEXA and terminal collection of muscle hind limb complex (HLC) and quadriceps weights and signaling for molecular regulators of muscle mass and composition. Results: HH decreased total HLC muscle mass with no changes in muscle composition. RUN induced loss of fat mass in both the quadriceps and HLC. Molecular mediators of atrophy were upregulated in HH while stimulators of muscle growth were higher in RUN. These changes in muscle mass and composition were quantified by a clinical DEXA, which we described and validated for use in pre-clinical models. Conclusions: RUN improves muscle composition while HH promotes muscle atrophy, though changes in composition in hypoxia remain unclear. Use of the widely available clinical DEXA for use in mice enhances translational research capacity to understand the mechanisms by which atrophy and hypertrophy promote skeletal muscle and overall health.
Computational Fluid Dynamics Modeling of the Resistivity and Power Density in Reverse Electrodialysis: A Parametric Study
Authors: Jalili Zohreh , Burheim Odne Stokke , Einarsrud Kristian Etienne
Published: August 2020

Electrodialysis (ED) and reverse electrodialysis (RED) are enabling technologies which can facilitate renewable energy generation, dynamic energy storage, and hydrogen production from low-grade waste heat. This paper presents a computational fluid dynamics (CFD) study for maximizing the net produced power density of RED by coupling the Navier–Stokes and Nernst–Planck equations, using the OpenFOAM software. The relative influences of several parameters, such as flow velocities, membrane topology (i.e., flat or spacer-filled channels with different surface corrugation geometries), and temperature, on the resistivity, electrical potential, and power density are addressed by applying a factorial design and a parametric study. The results demonstrate that temperature is the most influential parameter on the net produced power density, resulting in a 43% increase in the net peak power density compared to the base case, for cylindrical corrugated channels.
Monolithically Integrated Diffused Silicon Two-Zone Heaters for Silicon-Pyrex Glass Microreactors for Production of Nanoparticles: Heat Exchange Aspects
Authors: Rašljić Rafajilović Milena , Radulović Katarina , Smiljanić Milče M. , Lazić Žarko , Jakšić Zoran , Stanisavljev Dragomir , Radović Dana Vasiljević
Published: August 2020

We present the design, simulation, fabrication and characterization of monolithically integrated high resistivity p-type boron-diffused silicon two-zone heaters in a model high temperature microreactor intended for nanoparticle fabrication. We used a finite element method for simulations of the heaters’ operation and performance. Our experimental model reactor structure consisted of a silicon wafer anodically bonded to a Pyrex glass wafer with an isotropically etched serpentine microchannels network. We fabricated two separate spiral heaters with different temperatures, mutually thermally isolated by barrier apertures etched throughout the silicon wafer. The heaters were characterized by electric measurements and by infrared thermal vision. The obtained results show that our proposed procedure for the heater fabrication is robust, stable and controllable, with a decreased sensitivity to random variations of fabrication process parameters. Compared to metallic or polysilicon heaters typically integrated into microreactors, our approach offers improved control over heater characteristics through adjustment of the Boron doping level and profile. Our microreactor is intended to produce titanium dioxide nanoparticles, but it could be also used to fabricate nanoparticles in different materials as well, with various parameters and geometries. Our method can be generally applied to other high-temperature microsystems.
Broadband Lumped-Element Parameter Extraction Method of Two-Port 3D MEMS In-Chip Solenoid Inductors Based on a Physics-Based Equivalent Circuit Model
Authors: Sun Jiamian , Li Haiwang , Wu Sifan , Xu Tiantong , Li Hanqing , Wu Hanxiao , Xia Shuangzhi
Published: September 2020

Integrated 2D spiral inductors possess low inductance per unit area, which limits their application range. However, the state of investigation into the lumped-element parameter extraction method for integrated 3D in-chip multi-turn solenoid inductors, which possess higher inductance per unit area, is inadequate. This type of inductor can thus not be incorporated into fast computer-aided design (CAD)-assisted circuit design. In this study, we propose a broadband two-port physics-based equivalent circuit model for 3D microelectromechanical system (MEMS) in-chip solenoid inductors that are embedded in silicon substrates. The circuit model was composed of lumped elements with specific physical meanings and incorporated complicated parasitics resulting from eddy currents, skin effects, and proximity effects. Based on this model, we presented a lumped-element parameter extraction method using the electronic design automation software package, Agilent Advanced Design System (ADS). This method proved to be consistent with the results of two-port testing at low to self-resonant frequencies and could thus be used in CAD-assisted circuit design. The lumped element value variations were analyzed based on the physical meaning of the elements with respect to variations in structures and the substrate resistivity of inductors. This provided a novel perspective in terms of the design of integrated in-chip solenoid inductors.
Comparative Evaluation of Band-Based Genotyping Methods for Mycobacterium intracellulare and Its Application for Epidemiological Analysis
Authors: Shin Jeong-Ih , Ha Jong-Hun , Lee Dong-Hae , Choi Jeong-Gyu , Kim Kyu-Min , Lee Seung Jun , Jeong Yi Yeong , Lee Jong Deog , Jung Myunghwan , Baik Seung-Chul , Lee Woo Kon , Kang Hyung-Lyun , Shin Min-Kyoung , Yoo Jung-Wan
Published: August 2020

Mycobacterium intracellulare is a leading cause of nontuberculous mycobacterial pulmonary disease, with a rapidly increasing prevalence worldwide. This bacterium, commonly distributed in soil and water, is known to be transmitted through the environment rather than between people. Therefore, it is imperative to establish distinguishable genotyping methods to understand the clinical outcome, disease relapses, and epidemiology. Therefore, in this study, representative band-based genotyping methods were performed using M. intracellualre clinical isolates, and their Hunter–Gaston discriminatory index (HGDI) was 0.947, 0.994, and 1 for variable number tandem repetition (VNTR), VNTR-mycobacterial interspersed repetitive units, pulsed field gel electrophoresis, and repetitive sequence based-PCR, respectively. Although VNTR showed relatively low HGDI, co-infection with other M. intracellualre strains could be determined by loci showing allele diversity from 0 to 0.69. Additionally, genetic distance of clinical isolates from Gyeongnam/Korea, and other regions/countries were visualized by minimum spanning tree (MST) using the globally available VNTR profiles. The results of MST revealed that M. intracellulare isolated from patients in Gyeongnam/Korea had specific VNTR genotypes, which may be evidence of the geographic distribution of M. intracellulare specific genotypes. The comparative results of genotyping techniques and geographical characteristics in this study may provide fundamental information for the epidemiology of M. intracellulare.
Frequency and Characterization of Antimicrobial Resistance and Virulence Genes of Coagulase-Negative Staphylococci from Wild Birds in Spain. Detection of tst-Carrying S. sciuri Isolates
Authors: Ruiz-Ripa Laura , Gómez Paula , Alonso Carla Andrea , Camacho María Cruz , Ramiro Yolanda , de la Puente Javier , Fernández-Fernández Rosa , Quevedo Miguel Ángel , Blanco Juan Manuel , Báguena Gerardo , Zarazaga Myriam , Höfle Ursula , Torres Carmen
Published: August 2020

The objective of this study was to determine the prevalence and diversity of coagulase-negative staphylococci (CoNS) species from wild birds in Spain, as well as to analyze the antimicrobial resistance phenotype/genotype and the virulence gene content. During 2015–2016, tracheal samples of 242 wild birds were collected in different regions of Spain for staphylococci recovery. The species identification was performed using MALDI-TOF. The antimicrobial resistance phenotype and genotype was investigated by the disk diffusion method and by PCR, respectively. The presence of the virulence genes lukF/S-PV, tst, eta, etb, etd and scn was investigated by PCR. Moreover, CoNS carrying the mecA gene were subjected to SCCmec typing. Of the tested animals, 60% were CoNS-carriers, and 173 CoNS isolates were recovered from the 146 positive animals, which belonged to 11 species, with predominance of S. sciuri (n = 118) and S. lentus (n = 25). A total of 34% of CoNS isolates showed a multidrug resistance phenotype, and 42 mecA-positive methicillin-resistant CoNS (MRCoNS) were detected. The isolates showed resistance to the following antimicrobials (percentage of resistant isolates/antimicrobial resistance genes detected): penicillin (49/ blaZ, mecA), cefoxitin (24/ mecA), erythromycin and/or clindamycin (92/ erm(B), erm(C), erm(43), msr(A), mph(C), lnu(A), lsa(B), vga(A) and sal(A)), gentamicin and/or tobramycin (5/ aac(6′)-Ie-aph(2″)-Ia, ant(4′)-Ia), streptomycin (12/str), tetracycline (17/ tet(K), tet(L), tet(M)), ciprofloxacin (4), chloramphenicol (1/ fexA), fusidic acid (86/ fusB, fusD) and trimethoprim–sulfamethoxazole (1/ dfrK). None of the isolates harbored the lukF/S-PV, eta, etb, etd and scn genes, but two S. sciuri isolates (1%) carried the tst gene. Wild birds are frequently colonized by CoNS species, especially S. sciuri. We identified scavenging on intensively produced livestock and feeding on landfills as risk factors for CoNS carriage. High proportions of MRCoNS and multidrug resistant CoNS were detected, which coupled with the presence of important virulence genes is of concern.
Genome Wide Analysis Reveals the Role of VadA in Stress Response, Germination, and Sterigmatocystin Production in Aspergillus nidulans Conidia
Authors: Son Ye-Eun , Park Hee-Soo
Published: August 2020

In the Aspergillus species, conidia are asexual spores that are infectious particles responsible for propagation. Conidia contain various mycotoxins that can have detrimental effects in humans. Previous study demonstrated that VadA is required for fungal development and spore viability in the model fungus Aspergillus nidulans. In the present study, vadA transcriptomic analysis revealed that VadA affects the mRNA expression of a variety of genes in A. nidulans conidia. The genes that were primarily affected in conidia were associated with trehalose biosynthesis, cell-wall integrity, stress response, and secondary metabolism. Genetic changes caused by deletion of vadA were related to phenotypes of the vadA deletion mutant conidia. The deletion of vadA resulted in increased conidial sensitivity against ultraviolet stress and induced germ tube formation in the presence and absence of glucose. In addition, most genes in the secondary metabolism gene clusters of sterigmatocystin, asperfuranone, monodictyphenone, and asperthecin were upregulated in the mutant conidia with vadA deletion. The deletion of vadA led to an increase in the amount of sterigmatocystin in the conidia, suggesting that VadA is essential for the repression of sterigmatocystin production in conidia. These results suggest that VadA coordinates conidia maturation, stress response, and secondary metabolism in A. nidulans conidia.
Establishment of Intrinsic Permeability of Coarse Open-Graded Materials: Review and Analysis of Existing Data from Natural Air Convection Tests
Authors: Rieksts Karlis , Hoff Inge , Scibilia Elena , Côté Jean
Published: August 2020

This paper presents a review and analysis of large-scale air convection tests and the establishment of intrinsic permeability in coarse open-graded materials. Natural air convection can make a significant contribution to heat transfer during cooling periods. In seasonally freezing environments this can result in excessive frost penetration and subsequent frost-related problems. Intrinsic permeability largely defines the onset of convective heat transfer in granular materials. Conventional methods for measuring intrinsic permeability cannot be applied to very coarse materials. Large-scale laboratory experiments on natural air convection can serve as an alternative method for determining this crucial parameter. This paper gives an overview of four different experimental test setups for measuring natural air convection, all differing in physical shape, boundary conditions and heat flux/temperature measurement devices. Comparison between these is difficult because the air convection pattern can differ and in some cases the shape and number of convection cells cannot be validated. Most of the studies available in the literature use theoretical equations to approximate intrinsic permeability. A method based on the analytical Nu-Ra number relationship is employed to establish the values of intrinsic permeability. Tests that provide enough data to enable the use of the Nu-Ra relationship are very limited. The overall results show a reasonable correlation between experiment-based intrinsic permeability and theoretical approximation. However, several issues must be addressed: first, differences may exist between the intrinsic permeability of natural and of crushed materials due to the shape effect. Second, the method used is in theory valid only for two-dimensional air convection within a square enclosure heated from below. Yet the results show that this method could be extended to other conditions with a certain degree of confidence. Third, a good estimate of intrinsic permeability is possible only with accurate experimental measurement.
Topaz, a Potential Volatile-Carrier in Cold Subduction Zone: Constraint from Synchrotron X-ray Diffraction and Raman Spectroscopy at High Temperature and High Pressure
Authors: Huang Shijie , Xu Jingui , Chen Chunfa , Li Bo , Ye Zhilin , Chen Wei , Kuang Yunqian , Fan Dawei , Zhou Wenge , Ma Maining
Published: September 2020

The equation of state and stability of topaz at high-pressure/high-temperature conditions have been investigated by in situ synchrotron X-ray diffraction (XRD) and Raman spectroscopy in this study. No phase transition occurs on topaz over the experimental pressure–temperature (P-T) range. The pressure–volume data were fitted by the third-order Birch–Murnaghan equation of state (EoS) with the zero-pressure unit–cell volume V0 = 343.86 (9) Å3, the zero-pressure bulk modulus K0 = 172 (3) GPa, and its pressure derivative K’0 = 1.3 (4), while the obtained K0 = 155 (2) GPa when fixed K’0 = 4. In the pressure range of 0–24.4 GPa, the vibration modes of in-plane bending OH-groups for topaz show non-linear changes with the increase in pressure, while the other vibration modes show linear changes. Moreover, the temperature–volume data were fitted by Fei’s thermal equation with the thermal expansion coefficient α300 = 1.9 (1) × 10−5 K−1 at 300 K. Finally, the P-T stability of topaz was studied by a synchrotron-based single-crystal XRD at simultaneously high P-T conditions up to ~10.9 GPa and 700 K, which shows that topaz may maintain a metastable state at depths above 370 km in the upper mantle along the coldest subducting slab geotherm. Thus, topaz may be a potential volatile-carrier in the cold subduction zone. It can carry hydrogen and fluorine elements into the deep upper mantle and further affect the geochemical behavior of the upper mantle.
Review of the Synthesis and Anticancer Properties of Pyrazolo[4,3-e][1,2,4]triazine Derivatives
Authors: Bernat Zofia , Szymanowska Anna , Kciuk Mateusz , Kotwica-Mojzych Katarzyna , Mojzych Mariusz
Published: August 2020

This review focuses on the cytotoxic effect of new synthetic pyrazolo[4,3-e][1,2,4]triazine derivatives against different tumor cell lines. Some annulated pyrazolotriazines i.e., pyrazolo[4,3-e][1,2,4]triazolo[4,3-b][1,2,4]triazines and pyrazolo[4,3-e]tetrazolo[1,5-b][1,2,4]triazine demonstrated significant broad cytotoxic activity in micromolar range concentration, which could have excellent potential to be new candidate therapeutic agents in cancer chemotherapy.
Biological Activity and Antibiofilm Molecular Profile of Citrus aurantium Essential Oil and Its Application in a Food Model
Authors: Kačániová Miroslava , Terentjeva Margarita , Galovičová Lucia , Ivanišová Eva , Štefániková Jana , Valková Veronika , Borotová Petra , Kowalczewski Przemysław Łukasz , Kunová Simona , Felšöciová Soňa , Tvrdá Eva , Žiarovská Jana , Benda Prokeinová Renáta , Vukovic Nenad
Published: August 2020

The main aim of the study was to investigate the chemical composition, antioxidant, antimicrobial, and antibiofilm activity of Citrus aurantium essential oil (CAEO). The biofilm profile of Stenotrophonomonas maltophilia and Bacillus subtilis were assessed using the mass spectrometry MALDI-TOF MS Biotyper and the antibiofilm activity of Citrus aurantium (CAEO) was studied on wood and glass surfaces. A semi-quantitative composition using a modified version was applied for the CAEO characterization. The antioxidant activity of CAEO was determined using the DPPH method. The antimicrobial activity was analyzed by disc diffusion for two biofilm producing bacteria, while the vapor phase was used for three penicillia. The antibiofilm activity was observed with the agar microdilution method. The molecular differences of biofilm formation on different days were analyzed, and the genetic similarity was studied with dendrograms constructed from MSP spectra to illustrate the grouping profiles of S. maltophilia and B. subtilis. A differentiated branch was obtained for early growth variants of S. maltophilia for planktonic cells and all experimental groups. The time span can be reported for the grouping pattern of B. subtilis preferentially when comparing to the media matrix, but without clear differences among variants. Furthermore, the minimum inhibitory doses of the CAEO were investigated against microscopic fungi. The results showed that CAEO was most active against Penicillium crustosum, in the vapor phase, on bread and carrot in situ.
A Review of the Ethnomedicinal Uses, Biological Activities, and Triterpenoids of Euphorbia Species
Authors: Kemboi Douglas , Peter Xolani , Langat Moses , Tembu Jacqueline
Published: September 2020

The genus Euphorbia is one of the largest genera in the spurge family, with diversity in range, distribution, and morphology. The plant species in this genus are widely used in traditional medicine for the treatment of diseases, ranging from respirational infections, body and skin irritations, digestion complaints, inflammatory infections, body pain, microbial illness, snake or scorpion bites, pregnancy, as well as sensory disorders. Their successes have been attributed to the presence of diverse phytochemicals like polycyclic and macrocyclic diterpenes with various pharmacological properties. As a result, Euphorbia diterpenes are of interest to chemists and biochemists with regard to drug discovery from natural products due to their diverse therapeutic applications as well as their great structural diversity. Other chemical constituents such as triterpenoids have also been reported to possess various pharmacological properties, thus supporting the traditional uses of the Euphorbia species. These triterpenoids can provide potential leads that can be developed into pharmaceutical compounds for a wide range of medicinal applications. However, there are scattered scientific reports about the anticancer activities of these constituents. Harnessing such information could provide a database of bioactive pharmacopeia or targeted scaffolds for drug discovery. Therefore, this review presents an updated and comprehensive summary of the ethnomedicinal uses, phytochemistry, and the anticancer activities of the triterpenoids of Euphorbia species. Most of the reported triterpenoids in this review belong to tirucallane, cycloartanes, lupane, oleanane, ursane, and taraxane subclass. Their anticancer activities varied distinctly with the majority of them exhibiting significant cytotoxic and anticancer activities in vitro. It is, therefore, envisaged that the report on Euphorbia triterpenoids with interesting anticancer activities will form a database of potential leads or scaffolds that could be advanced into the clinical trials with regard to drug discovery.
Enhancing the Performance of Dye Sensitized Solar Cells Using Silver Nanoparticles Modified Photoanode
Authors: Saadmim Faizah , Forhad Taseen , Sikder Ahmed , Ghann William , M. Ali Meser , Sitther Viji , Ahammad A. J. Saleh , Subhan Md. Abdus , Uddin Jamal
Published: September 2020

In this study, silver nanoparticles were synthesized, characterized, and applied to a dye-sensitized solar cell (DSSC) to enhance the efficiency of solar cells. The synthesized silver nanoparticles were characterized with UV–Vis spectroscopy, dynamic light scattering, transmission electron microscopy, and field emission scanning electron microscopy. The silver nanoparticles infused titanium dioxide film was also characterized by Fourier transform infrared and Raman spectroscopy. The performance of DSSC fabricated with silver nanoparticle-modified photoanode was compared with that of a control group. The current and voltage characteristics of the devices as well as the electrochemical impedance measurements were also carried out to assess the performance of the fabricated solar cells. The solar-to-electric efficiency of silver nanoparticles based DSSC was 1.76%, which is quite remarkable compared to the 0.98% realized for DSSC fabricated without silver nanoparticles.
Qualitative and Quantitative Study of Glycosphingolipids in Human Milk and Bovine Milk Using High Performance Liquid Chromatography–Data-Dependent Acquisition–Mass Spectrometry
Authors: Ma Lin , Fong Bertram Y. , MacGibbon Alastair K. H. , Norris Gillian
Published: September 2020

Cerebrosides (Crb; including glucosylceramide and galactosylceramide) and lactosylceramide (LacCer) are structurally complex lipids found in many eukaryotic cell membranes, where they play important roles in cell growth, apoptosis, cell recognition and signaling. They are also found in mammalian milk as part of the milk fat globule membrane (MFGM), making milk an important dietary component for the rapidly growing infant. This study reports the development of a robust analytical method for the identification and characterization of 44 Crb and 23 LacCer molecular species in milk, using high performance liquid chromatography–tandem mass spectrometry in data-dependent acquisition mode. For the first time, it also compares the distributions of these species in human and bovine milks, a commercial MFGM-enriched dairy ingredient (MFGM Lipid 100) and commercial standards purified from bovine milk. A method for quantifying Crb and LacCer in milk using mass spectrometry in neutral loss scan mode was developed and validated for human milk, bovine milk and MFGM Lipid 100. Human milk was found to contain approximately 9.9–17.4 µg Crb/mL and 1.3–3.0 µg LacCer/mL, whereas bovine milk (pooled milk from a Friesian herd) contained 9.8–12.0 and 14.3–16.2 µg/mL of these lipids, respectively. The process used to produce MFGM Lipid 100 was shown to have enriched these components to 448 and 1036 µg/g, respectively. No significant changes in the concentrations of both Crb and LacCer were observed during lactation.
Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C-5a-Substituted Derivatives of 4-epi-Isofagomine
Authors: Weber Patrick , Thonhofer Martin , Averill Summer , Davies Gideon J. , Santana Andres Gonzalez , Müller Philipp , Nasseri Seyed A. , Offen Wendy A. , Pabst Bettina M. , Paschke Eduard , Schalli Michael , Torvisco Ana , Tschernutter Marion , Tysoe Christina , Windischhofer Werner , Withers Stephen G. , Wolfsgruber Andreas , Wrodnigg Tanja M. , Stütz Arnold E.
Published: September 2020

Glycosidase inhibitors have shown great potential as pharmacological chaperones for lysosomal storage diseases. In light of this, a series of new cyclopentanoid β-galactosidase inhibitors were prepared and their inhibitory and pharmacological chaperoning activities determined and compared with those of lipophilic analogs of the potent β-d-galactosidase inhibitor 4-epi-isofagomine. Structure-activity relationships were investigated by X-ray crystallography as well as by alterations in the cyclopentane moiety such as deoxygenation and replacement by fluorine of a “strategic” hydroxyl group. New compounds have revealed highly promising activities with a range of β-galactosidase-compromised human cell lines and may serve as leads towards new pharmacological chaperones for GM1-gangliosidosis and Morquio B disease.
Construction of Molecular Model and Adsorption of Collectors on Bulianta Coal
Authors: Zhang He , Xi Peng , Zhuo Qiming , Liu Wenli
Published: September 2020

To study the effects of different oxygen functional groups on the quality of flotation clean low-rank coal, two kinds of collectors with different oxygen-containing functional groups, methyl laurate, and dodecanol, were selected and their flotation behaviors were investigated. The Bulianta coal was the typical sub-bituminous coal in China, and the coal molecular model of which was constructed based on proximate analysis, ultimate analysis, 13C-NMR, and XPS. The chemical structure model of the coal molecule was optimized, and the periodic boundary condition was added via the method of molecular dynamics methods. The different combined systems formed by collectors, water, and a model surface of Bulianta coal have been studied using molecular dynamics simulation. The simulation results of dodecanol and methyl laurate on the surface of Bulianta coal show that dodecanol molecules are not evenly adsorbed on the surface of coal, and have higher adsorption capacity near carboxyl and hydroxyl groups, but less adsorption capacity near carbonyl and ether bonds. Methyl laurate can completely cover the oxygen-containing functional groups on the coal surface. Compared with dodecanol, methyl laurate can effectively improve the hydrophobicity of the Bulianta coal surface, which is consistent with the results of the XPS test and the flotation test.
Peptidyl Fluoromethyl Ketones and Their Applications in Medicinal Chemistry
Authors: Citarella Andrea , Micale Nicola
Published: September 2020

Peptidyl fluoromethyl ketones occupy a pivotal role in the current scenario of synthetic chemistry, thanks to their numerous applications as inhibitors of hydrolytic enzymes. The insertion of one or more fluorine atoms adjacent to a C-terminal ketone moiety greatly modifies the physicochemical properties of the overall substrate, especially by increasing the reactivity of this functionalized carbonyl group toward nucleophiles. The main application of these peptidyl α-fluorinated ketones in medicinal chemistry relies in their ability to strongly and selectively inhibit serine and cysteine proteases. These compounds can be used as probes to study the proteolytic activity of the aforementioned proteases and to elucidate their role in the insurgence and progress on several diseases. Likewise, if the fluorinated methyl ketone moiety is suitably connected to a peptidic backbone, it may confer to the resulting structure an excellent substrate peculiarity and the possibility of being recognized by a specific subclass of human or pathogenic proteases. Therefore, peptidyl fluoromethyl ketones are also currently highly exploited for the target-based design of compounds for the treatment of topical diseases such as various types of cancer and viral infections.
Investigating the Role of Telomere and Telomerase Associated Genes and Proteins in Endometrial Cancer
Authors: Bradfield Alice , Button Lucy , Drury Josephine , Green Daniel C. , Hill Christopher J. , Hapangama Dharani K.
Published: September 2020

Endometrial cancer (EC) is the commonest gynaecological malignancy. Current prognostic markers are inadequate to accurately predict patient survival, necessitating novel prognostic markers, to improve treatment strategies. Telomerase has a unique role within the endometrium, whilst aberrant telomerase activity is a hallmark of many cancers. The aim of the current in silico study is to investigate the role of telomere and telomerase associated genes and proteins (TTAGPs) in EC to identify potential prognostic markers and therapeutic targets. Analysis of RNA-seq data from The Cancer Genome Atlas identified differentially expressed genes (DEGs) in EC (568 TTAGPs out of 3467) and ascertained DEGs associated with histological subtypes, higher grade endometrioid tumours and late stage EC. Functional analysis demonstrated that DEGs were predominantly involved in cell cycle regulation, while the survival analysis identified 69 DEGs associated with prognosis. The protein-protein interaction network constructed facilitated the identification of hub genes, enriched transcription factor binding sites and drugs that may target the network. Thus, our in silico methods distinguished many critical genes associated with telomere maintenance that were previously unknown to contribute to EC carcinogenesis and prognosis, including NOP56, WFS1, ANAPC4 and TUBB4A. Probing the prognostic and therapeutic utility of these novel TTAGP markers will form an exciting basis for future research.
Modification of Graphitic Carbon Nitride with Hydrogen Peroxide
Authors: Praus Petr , Smýkalová Aneta , Foniok Kryštof , Matějka Vlastimil
Published: September 2020

Graphitic carbon nitride (GCN) was synthetized by heating melamine and then it was thermally exfoliated for 1–3 h in air. Both bulk and exfoliated GCN nanomaterials were treated in the 10–30% aqueous solutions of H2O2 for us to study their modification. The light absorption properties were observed by the reddish color and the red-shifts of their UV-Vis spectra. The content of oxygen increased and hydrogen peroxide was supposed to partially oxidize C-OH groups to C=O ones and to form C-O-C groups instead of edge C-NH-C ones. The GCN structure changes were not observed. However, a surface modification of the GCN materials was recognized by their changed photocatalytic activities tested by means of Acid Orange 7 (AO7) and Rhodamines B (RhB), zeta-potentials, and neutralization titration curves.
Introducing the Novel Mixed Gaussian-Lorentzian Lineshape in the Analysis of the Raman Signal of Biochar
Authors: Tagliaferro Alberto , Rovere Massimo , Padovano Elisa , Bartoli Mattia , Giorcelli Mauro
Published: September 2020

In this research, an innovative procedure is proposed to elaborate Raman spectra obtained from nanostructured and disordered solids. As a challenging case study, biochar, a bio-derived carbon based material, was selected. The complex structure of biochar (i.e., channeled surface, inorganic content) represents a serious challenge for Raman characterization. As widely reported, the Raman spectra are closely linked to thermal treatments of carbon material. The individual contributions to the Raman spectra are difficult to identify due to the numerous peaks that contribute to the spectra. To tackle this problem, we propose a brand new approach based on the introduction, on sound theoretical grounds, of a mixed Gaussian-–Lorentzian lineshape. As per the experimental part, biochar samples were carbonized in an inert atmosphere at various temperatures and their respective spectra were successfully decomposed using the new lineshape. The evolution of the structure with carbonization temperature was investigated by Raman and XRD analysis. The results of the two techniques fairly well agree. Compared to other approaches commonly reported in the literature this method (i) gives a sounder basis to the lineshape used in disordered materials, and (ii) appears to reduce the number of components, leading to an easier understanding of their origin.
A Mixture of Humulus japonicus Increases Longitudinal Bone Growth Rate in Sprague Dawley Rats
Authors: Kim Ok-Kyung , Yun Jeong moon , Lee Minhee , Park Soo-Jeung , Kim Dakyung , Oh Dong Hwan , Kim Hong-Sik , Kim Ga-Yeon
Published: August 2020

The aim of this study was to investigate the effects of administration of a mixture of Humulus japonicus (MH) on longitudinal bone growth in normal Sprague Dawley (SD) rats. We measured the femur and tibia length, growth plate area, proliferation of chondrocytes, and expression of insulin-like growth factor-1 (IGF-I) and IGF binding protein-3 (IGFBP-3), and Janus kinase 2 (JAK2)/signal transducer and activator of transcription 5 (STAT5) phosphorylation after dietary administration of MH in SD rats for four weeks. The nose–tail length gain and length of femur and tibia increased significantly in the group that received MH for a period of four weeks. We performed H&E staining and Bromodeoxyuridine/5-Bromo-2′-Deoxyuridine (BrdU) staining to examine the effect of dietary administration of MH on the growth plate and the proliferation of chondrocytes and found that MH stimulated the proliferation of chondrocytes and contributed to increased growth plate height during the process of longitudinal bone growth. In addition, serum levels of IGF-1 and IGFBP-3 and expression of IGF-1 and IGFBP-3 mRNAs in the liver and bone were increased, and phosphorylation of JAK2/STAT5 in the liver was increased in the MH groups. Based on these results, we suggest that the effect of MH on longitudinal bone growth is mediated by increased JAK2/STAT5-induced IGF-1 production.
Prognostic Impact of Serum Albumin for Developing Heart Failure Remotely after Acute Myocardial Infarction
Authors: Yoshioka Goro , Tanaka Atsushi , Nishihira Kensaku , Shibata Yoshisato , Node Koichi
Published: August 2020

Low serum albumin (LSA) on admission for acute myocardial infarction (AMI) is related to adverse in-hospital outcomes. However, the relationship between LSA and long-term post-AMI cardiovascular outcomes is unknown. A single-center, non-randomized, retrospective study was performed to investigate the prognostic impact of LSA at admission for AMI on cardiovascular death or newly developed HF in the remote phase after AMI. Admission serum albumin tertiles (<3.8, 3.8–4.2, ≥4.2 g/dL) were used to divide 2253 consecutive AMI from February 2008 to January 2016 patients into three groups. Primary outcome was a composite of hospitalization for HF and cardiovascular death remotely after AMI. Cox proportional hazard models were used to explore the relationship between admission LSA and primary outcome. During follow-up (median: 3.2 years), primary composite outcome occurred in 305 patients (13.5%). Primary composite outcome occurred individually for hospitalization for HF in 146 patients (6.5%) and cardiovascular death in 192 patients (8.5%). The cumulative incidence of primary composite outcome was higher in the LSA group than the other groups (log-rank test, p < 0.001). Even after adjustments for relevant clinical variables, LSA (<3.8 mg/dL) was an independent predictor of remote-phase primary composite outcome, irrespective of the clinical severity and subtype of AMI. Thus, LSA on admission for AMI was an independent predictor of newly developed HF or cardiovascular death and has a useful prognostic impact even remotely after AMI.
Equity and Distributional Impact on Stunting of a Nutritional Package Targeting Children Aged 6–36 Months in China: Findings from a Modeling Study
Authors: Li Zhihui , Fawzi Wafaie W. , Cohen Jessica L. , Verguet Stéphane
Published: August 2020

Background: Despite rapid economic development, child stunting remains a persistent problem in China. Stunting prevalence varies greatly across geographical regions and wealth groups. To address child undernutrition, the Ying Yang Bao (YYB) nutritional package has been piloted in China since 2001. Objective: We aimed to evaluate the distributional impact of a hypothetical rollout of the YYB nutritional package on child stunting across provinces and wealth groups in China, with a specific focus on equity. Methods: We used data from China Family Panel Studies and built on extended cost-effectiveness analysis methods. We estimated the distributional impact of a 12-month YYB program targeting children aged 6–36 months across 25 provinces and two wealth groups along three dimensions: the cost of the YYB program; the number of child stunting cases averted by YYB; and the cost per stunting case averted. Children in each province were divided into poverty and non-poverty groups based on the international poverty line of $5.50 per day. We also conducted a range of sensitivity analyses. Results: We showed that 75% coverage of YYB could avert 1.9 million stunting cases among children aged 6–36 months, including 1.3 million stunting cases among children living under the poverty line, at a total cost of ¥5.4–6.2 billion ($1.5–1.8 billion) depending on the type of YYB delivery. The cost per stunting case averted would greatly vary across Chinese provinces and wealth groups, ranging from ¥800 (around $220, Chongqing province) to ¥23,300 (around $6600, Jilin province). In most provinces, the cost per stunting case averted would be lower for children living under the poverty line. Conclusions: YYB could be a pro-poor nutritional intervention package that brings substantial health benefits to poor and marginalized Chinese children, but with large variations in value for money across provinces and wealth groups. This analysis points to the need for prioritization across provinces and a targeted approach for YYB rollout in China.
First Report of Pathogenic Bacterium Kalamiella piersonii Isolated from Urine of a Kidney Stone Patient: Draft Genome and Evidence for Role in Struvite Crystallization
Authors: Rekha Punchappady Devasya , Hameed Asif , Manzoor Muhammed A. P. , Suryavanshi Mangesh V. , Ghate Sudeep D. , Arun A. B. , Rao Sneha S. , Athmika  , Bajire Sukesh Kumar , Mujeeburahiman M. , Young C.-C.
Published: August 2020

Uropathogenic bacteria are widely distributed in the environment and urinary tract infection is implicated in kidney stone disease. Here, we report on a urease negative bacterium Kalamiella piersonii (strain YU22) isolated from the urine of a struvite stone (MgNH4PO4·6H2O) patient. The closest species, K. piersonii IIIF1SW-P2T was reported from International Space Station samples. However, there are no earlier reports on its human association. Using whole genome and experimental analysis, its involvement in urinary tract colonization and struvite crystallization was explored. The strain YU22 showed many virulence factors that are needed for host cell invasion and colonization including cell adhesion factors, swimming and swarming motilities, biofilm and siderophore among others. In vitro infection studies in HEK-293T cells demonstrated the host cell attachment and killing. It was able to utilize amino acids as sole carbon source and showed growth in synthetic and healthy urine establishing metabolic adaptation to urinary tract. Increased pH and availability of ammonium ions from amino acid breakdown promoted struvite crystallization. The results from this study support the involvement of urease negative uropathogen in the struvite lithogenesis. Further studies on other isolates of K. peirsonii are warranted to assess its health risks.
Comparative Analysis of Streptococcus pneumoniae Type I Restriction-Modification Loci: Variation in hsdS Gene Target Recognition Domains
Authors: Oliver Melissa B. , Swords W. Edward
Published: August 2020

Streptococcus pneumoniae (pneumococcus) is a respiratory commensal pathogen that causes a range of infections, particularly in young children and the elderly. Pneumococci undergo spontaneous phase variation in colony opacity phenotype, in which DNA rearrangements within the Type I restriction-modification (R-M) system specificity gene hsdS can potentially generate up to six different hsdS alleles with differential DNA methylation activity, resulting in changes in gene expression. To gain a broader perspective of this system, we performed bioinformatic analyses of Type I R-M loci from 18 published pneumococcal genomes, and one R-M locus sequenced for this study, to compare genetic content, organization, and homology. All 19 loci encoded the genes hsdR, hsdM, hsdS, and at least one hsdS pseudogene, but differed in gene order, gene orientation, and hsdS target recognition domain (TRD) content. We determined the coding sequences of 87 hsdS TRDs and excluded seven from further analysis due to the presence of premature stop codons. Comparative analyses revealed that the TRD 1.1, 1.2, and 2.1 protein sequences had single amino acid substitutions, and TRD 2.2 and 2.3 each had seven differences. The results of this study indicate that variability exists among the gene content and arrangements within Type I R-M loci may provide an additional level of divergence between pneumococcal strains, such that phase variation-mediated control of virulence factors may vary significantly between individual strains. These findings are consistent with presently available transcript profile data.