bluuebunny/crossref_metadata_2025 huggingface dataset:
Novel Insights into the Crosstalk between Mineralocorticoid Receptor and G Protein-Coupled Receptors in Heart Adverse Remodeling and Disease
Authors: Parker Barbara M. , Wertz Shelby L. , Pollard Celina M. , Desimine Victoria L. , Maning Jennifer , McCrink Katie A. , Lymperopoulos Anastasios
Published: November 2018

The mineralocorticoid hormone aldosterone regulates sodium and potassium homeostasis but also adversely modulates the maladaptive process of cardiac adverse remodeling post-myocardial infarction. Through activation of its mineralocorticoid receptor (MR), a classic steroid hormone receptor/transcription factor, aldosterone promotes inflammation and fibrosis of the heart, the vasculature, and the kidneys. This is why MR antagonists reduce morbidity and mortality of heart disease patients and are part of the mainstay pharmacotherapy of advanced human heart failure. A plethora of animal studies using cell type–specific targeting of the MR gene have established the importance of MR signaling and function in cardiac myocytes, vascular endothelial and smooth muscle cells, renal cells, and macrophages. In terms of its signaling properties, the MR is distinct from nuclear receptors in that it has, in reality, two physiological hormonal agonists: not only aldosterone but also cortisol. In fact, in several tissues, including in the myocardium, cortisol is the primary hormone activating the MR. There is a considerable amount of evidence indicating that the effects of the MR in each tissue expressing it depend on tissue- and ligand-specific engagement of molecular co-regulators that either activate or suppress its transcriptional activity. Identification of these co-regulators for every ligand that interacts with the MR in the heart (and in other tissues) is of utmost importance therapeutically, since it can not only help elucidate fully the pathophysiological ramifications of the cardiac MR’s actions, but also help design and develop novel better MR antagonist drugs for heart disease therapy. Among the various proteins the MR interacts with are molecules involved in cardiac G protein-coupled receptor (GPCR) signaling. This results in a significant amount of crosstalk between GPCRs and the MR, which can affect the latter’s activity dramatically in the heart and in other cardiovascular tissues. This review summarizes the current experimental evidence for this GPCR-MR crosstalk in the heart and discusses its pathophysiological implications for cardiac adverse remodeling as well as for heart disease therapy. Novel findings revealing non-conventional roles of GPCR signaling molecules, specifically of GPCR-kinase (GRK)-5, in cardiac MR regulation are also highlighted.
Identification of a Novel Semi-Dominant Spotted-Leaf Mutant with Enhanced Resistance to Xanthomonas oryzae pv. oryzae in Rice
Authors: Chen Zheng , Chen Ting , Sathe Atul Prakash , He Yuqing , Zhang Xiao-bo , Wu Jian-li
Published: November 2018

Many spotted-leaf mutants show enhanced disease resistance to multiple pathogen attacks; however, the mechanisms are largely unknown. Here, we reported a novel semi-dominant spotted-leaf mutant 24 (spl24) obtained from an ethyl methane sulfonate (EMS)-induced IR64 mutant bank. spl24 developed tiny brown lesions on the leaf tip and spread down gradually to the leaf base as well as the sheath at the early heading stage. The performances of major agronomic traits such as the plant height, panicle length, number of panicles/plant, and 1000-grain weight were significantly altered in spl24 when compared to the wild-type IR64. Furthermore, spl24 exhibited a premature senescing phenotype with degeneration of nuclear acids, significantly reduced soluble protein content, increased level of malonaldehyde (MDA), and lowered activities of reactive oxygen species (ROS) scavenging enzymes. Disease evaluation indicated that spl24 showed enhanced resistance to multiple races of Xanthomonas oryzae pv. oryzae, the causal pathogen of bacterial leaf blight in rice, with elevated expression of pathogenesis-related genes, salicylic acid (SA) signaling pathway-associated genes revealed by real-time quantitative PCR and high-throughput RNA sequencing analysis. Genetic analysis and gene mapping indicated that the lesion mimic phenotype was controlled by a novel semi-dominant nuclear gene. The mutation, tentatively termed as OsSPL24, was in a 110 kb region flanked by markers Indel-33 and Indel-12 in chromosome 11. Together, our data suggest that spl24 is a novel lesion mimic mutant with enhanced innate immunity and would facilitate the isolation and functional characterization of the target gene.
Genomics: New Light on Alzheimer’s Disease Research
Authors: Jung Yeong Ju , Kim Yoon Ha , Bhalla Mridula , Lee Sung Bae , Seo Jinsoo
Published: November 2018

Alzheimer’s disease (AD) is a progressive neurodegenerative disease that represents a major cause of death in many countries. AD is characterized by profound memory loss, disruptions in thinking and reasoning, and changes in personality and behavior followed by malfunctions in various bodily systems. Although AD was first identified over 100 years ago, and tremendous efforts have been made to cure the disease, the precise mechanisms underlying the onset of AD remain unclear. The recent development of next-generation sequencing tools and bioinformatics has enabled us to investigate the role of genetics in the pathogenesis of AD. In this review, we discuss novel discoveries in this area, including the results of genome-wide association studies (GWAS) that have implicated a number of novel genes as risk factors, as well as the identification of epigenetic regulators strongly associated with the onset and progression of AD. We also review how genetic risk factors may interact with age-associated, progressive decreases in cognitive function in patients with AD.
A Pt(IV) Prodrug Combining Chlorambucil and Cisplatin: A Dual-Acting Weapon for Targeting DNA in Cancer Cells
Authors: Montagner Diego , Tolan Dina , Andriollo Emma , Gandin Valentina , Marzano Cristina
Published: November 2018

In this study, two DNA-targeting agents, cisplatin and chlorambucil, were combined in a Pt(IV) prodrug, 1, which was thoroughly characterized by means of spectroscopic and spectrometric techniques. Tested towards a panel of various human tumor cell lines, this compound showed superior in vitro antitumor potential than the reference drug cisplatin. In addition, an antitumor potential of 1 was found, which is comparable to that of oxaliplatin in 3D spheroid models of colon cancer cells. Mechanistic studies performed in colon cancer cells confirmed that the conjugation of chlorambucil to Pt(IV) cisplatin-based scaffold tunes the lipophilicity of the prodrug, consequently improving the ability of the compound to accumulate into cancer cells and to target DNA, ultimately leading to apoptotic cancer cell death.
Tri-SIFT: A Triangulation-Based Detection and Matching Algorithm for Fish-Eye Images
Authors: Wang Ende , Jiao Jinlei , Yang Jingchao , Liang Dongyi , Tian Jiandong
Published: November 2018

Keypoint matching is of fundamental importance in computer vision applications. Fish-eye lenses are convenient in such applications that involve a very wide angle of view. However, their use has been limited by the lack of an effective matching algorithm. The Scale Invariant Feature Transform (SIFT) algorithm is an important technique in computer vision to detect and describe local features in images. Thus, we present a Tri-SIFT algorithm, which has a set of modifications to the SIFT algorithm that improve the descriptor accuracy and matching performance for fish-eye images, while preserving its original robustness to scale and rotation. After the keypoint detection of the SIFT algorithm is completed, the points in and around the keypoints are back-projected to a unit sphere following a fish-eye camera model. To simplify the calculation in which the image is on the sphere, the form of descriptor is based on the modification of the Gradient Location and Orientation Histogram (GLOH). In addition, to improve the invariance to the scale and the rotation in fish-eye images, the gradient magnitudes are replaced by the area of the surface, and the orientation is calculated on the sphere. Extensive experiments demonstrate that the performance of our modified algorithms outweigh that of SIFT and other related algorithms for fish-eye images.
Applications of Blockchain Technology to Logistics Management in Integrated Casinos and Entertainment
Authors: Liao Da-Yin , Wang Xuehong
Published: November 2018

The gaming industry has evolved into a multi-functional smart city that combines integrated casinos and entertainment (ICE). ICE logistics involve supply chains with various stages in geographically-distributed locations and with limited and complex storage and warehouses. Challenges are to leverage demands, traffic, and storage allocation in ICE logistics. The decentralized structure of blockchain technology allows all parties to participate in ICE logistics. Its cryptography-based, immutable nature gives the assurance of security. This research deals with the design and application of blockchains in ICE logistics. We first adopt a Concentric Value Circles (CVC) model to identify the requirements and business opportunities that use blockchain technology in ICE logistics. We develop an open, automated, and transparent platform, TransICE, which utilizes the feature of smart contracts in blockchain technology and adopts a decentralized model, Hawk, where no financial transactions are stored on the blockchain to hold privacy of transactions publicly. Two cases, (1) the Shipment Pricing and Scheduling process and (2) the Pickup, Shipping and Delivery process in TransICE, are studied to illustrate the applications and feasibility of the proposed TransICE platform and the developed smart contracts of the Hawk model.
Axial Compressive Stress-Strain Model Developed for FRP-Confined Concrete Columns with Elliptical Cross Sections
Authors: Isleem Haytham F. , Wang Zhenyu
Published: November 2018

Most existing studies conducted on fiber-reinforced polymer (FRP)-confined concrete have considered circular and square concrete columns, while limited studies have considered columns with rectangular sections. Studies have confirmed that the circular cross-sections exhibited higher confinement effectiveness, whereas in the case of non-circular cross-sections the efficiency of FRP confinement decreases with an increase of the sectional aspect ratio and there is no significant increase, particularly for columns with the aspect ratio of 2.0. As recently suggested by researchers, to significantly increase the effectiveness of FRP-confinement for these columns involves changing a rectangular section into an elliptical or oval section. According to the literature, most of the existing confinement models for FRP-confined concrete under axial compression have been proposed for columns with circular and rectangular cross-sections. However, modeling of the axial strength and strain of concrete confined with FRP in elliptical cross-sections under compression is limited. Therefore, this paper provides new expressions based on limited experimental data available in the literature. For a sufficient amount of FRP-confinement, the threshold value was proposed to be 0.02. Finally, the accuracy of the proposed model was verified by comparing its predictions with the same test database, together with those from the existing models.
Does Intraindividual Variability of Personality States Improve Perspective Taking? An Ecological Approach Integrating Personality and Social Cognition
Authors: Wundrack Richard , Prager Julia , Asselmann Eva , O’Connell Garret , Specht Jule
Published: November 2018

Research integrating cognitive abilities and personality has focused on the role of personality traits. We propose a theory on the role of intraindividual variability of personality states (hereafter state variability) on perspective taking, in particular, the ability to infer other peoples’ mental states. First, we review the relevant research on personality psychology and social cognition. Second, we propose two complementary routes by which state variability relates to anchoring and adjustment in perspective taking. The first route, termed ego-dispersion, suggests that an increased state variability decreases egocentric bias, which reduces anchoring. The second route, termed perspective-pooling, suggests that an increased state variability facilitates efficient adjustment. We also discuss how our theory can be investigated empirically. The theory is rooted in an ecological interpretation of personality and social cognition, and flags new ways for integrating these fields of research.
Capital Allocation in Decentralized Businesses
Authors: Turnbull Stuart M.
Published: November 2018

This paper described a theory of capital allocation for decentralized businesses, taking into account the costs associated with risk capital. We derive an adjusted present value expression for making investment decisions, that incorporates the time varying profile of risk capital. We discuss the implications for business performance measurement.
Effects of Si Content and Ca Addition on Thermal Conductivity of As-Cast Mg–Si Alloys
Authors: Zhou Xiong , Guo Tian , Wu Shusen , Lü Shulin , Yang Xiong , Guo Wei
Published: November 2018

The Mg–Si alloys have low CTEs (coefficients of thermal expansion) and other merits, which contribute to their application potential in the electronic industry. However, the details of their thermal properties are still unclarified, and need more research. In this study, the thermal conductivities (TC) of Mg–xSi (x = 1 wt.%, 1.38 wt.%, 2 wt.%, 3 wt.%, and 4 wt.%) binary alloys and Mg–4Si–yCa (y = 0.2 wt.%, 0.4 wt.%, 0.6 wt.%, 0.8 wt.%, and 1.0 wt.%) alloys over the temperature range of 25–300 °C were systematically studied. The results show that the TC of Mg–xSi binary alloys decreases with the increase of Si content, while it increases slightly near the eutectic composition. The addition of a Ca element to Mg–4Si alloys has an obvious modification effect on the Mg2Si phase. When the Ca content increases constantly, the TC of the alloys decreases at first; then, there is a significant increase at the content of 0.8 wt.% Ca, and after that, it continues to decline. The mechanism is mainly related to the precipitation of the CaMgSi phase at 0.8 wt.% Ca content.
Fabrication of Stretchable Circuits on Polydimethylsiloxane (PDMS) Pre-Stretched Substrates by Inkjet Printing Silver Nanoparticles
Authors: Abu-Khalaf Jumana M. , Al-Ghussain Loiy , Al-Halhouli Ala’aldeen
Published: November 2018

Several research methodologies have recently been developed to allow for the patterning of conductive lines on elastomeric rubber substrates. Specifically, various conductive materials, substrates, and fabrication techniques were investigated to develop stretchable circuits. One promising technique recommends the application of axial strain on an elastomer substrate prior to patterning conductive lines on it. When the substrate is released, conductive lines buckle to form waves, making the circuit stretchable. However, the majority of applications of stretchable circuits require fitting them to two-dimensional surfaces, such as the human body. Hence, in this paper we propose the concept of radial pre-stretching of the substrates to enhance the stretchability of the fabricated circuits. In particular, straight silver conductive lines were deposited on a polydimethylsiloxane (PDMS) surface using inkjet printing technology, and subsequently tested under both axial and radial loads. Radial pre-stretching was compared to axial pre-stretching, resulting in an improved performance under radial loads. The optimal performance was achieved by pre-stretching the PDMS substrate with a radial strain of 27%. This resulted in stretchable circuits which could sustain radial loads with an average breakdown strain of approximately 19%. Additionally, horseshoe patterns were printed on radially pre-stretched PDMS substrates and their performance was compared to that of their straight line counterparts. Though these patterns are generally favorable for the fabrication of stretchable circuits, the optimal horseshoe pattern examined in this study could only sustain up to 16% radial strain on average when radially pre-stretched by 27%.
Effect of Sn Content on the Microstructure, Mechanical Properties and Corrosion Behavior of Biodegradable Mg–x (1, 3 and 5 wt.%) Sn–1Zn–0.5Ca Alloys
Authors: Zhao Zheng-Xue , Hua Zhen-Ming , Li Da-Wei , Wei Dong-Song , Liu Yan , Wang Jin-Guo , Luo Dan , Wang Hui-Yuan
Published: November 2018

The microstructure, mechanical properties and corrosion behavior of hot–rolled Mg–xSn–1Zn–0.5Ca (x = 1, 3 and 5 wt.%) alloys were investigated for possible application as biodegradable implants. The hot–rolled Mg–xSn–1Zn–0.5Ca alloys consisted of α-Mg matrix and Mg2Sn phase. The number of the Mg2Sn particles significantly increased and the grains were gradually refined (14.2 ± 1.5, ~10.7 ± 0.7 and ~6.6 ± 1.1 μm), while the recrystallized fraction significantly decreased with the increase in the Sn content, the Mg–1Sn–1Zn–0.5Ca alloy was almost completely recrystallized. Ultimate tensile strength (UTS) and tensile yield strength (TYS) increased slightly, reaching maximum values of 247 MPa and 116 MPa, respectively, for the Mg–5Sn–1Zn–0.5Ca alloy, and the elongation decreased with the increase in the Sn content; the Mg–1Sn–1Zn–0.5Ca alloy showed the highest elongation (15.3%). In addition, immersion tests and electrochemical measurements in Hank’s solution revealed that the corrosion rates of Mg–xSn–1Zn–0.5Ca alloys increased with the increase in the Sn content. A model of the corrosion behavior was discussed for hot–rolled Mg–xSn–1Zn–0.5Ca alloys in Hank’s solution. Among the Mg–xSn–1Zn–0.5Ca (x = 1, 3 and 5 wt.%) alloys, Mg–1Sn–1Zn–0.5Ca alloy exhibits optimal corrosion resistance and appropriate mechanical properties.
New Shape Function for the Bending Analysis of Functionally Graded Plate
Authors: Čukanović Dragan , Radaković Aleksandar , Bogdanović Gordana , Milanović Milivoje , Redžović Halit , Dragović Danilo
Published: November 2018

The bending analysis of thick and moderately thick functionally graded square and rectangular plates as well as plates on Winkler–Pasternak elastic foundation subjected to sinusoidal transverse load is presented in this paper. The plates are assumed to have isotropic, two-constituent material distribution through the thickness, and the modulus of elasticity of the plate is assumed to vary according to a power-law distribution in terms of the volume fractions of the constituents. This paper presents the methodology of the application of the high order shear deformation theory based on the shape functions. A new shape function has been developed and the obtained results are compared to the results obtained with 13 different shape functions presented in the literature. Also, the validity and accuracy of the developed theory was verified by comparing those results with the results obtained using the third order shear deformation theory and 3D theories. In order to determine the procedure for the analysis and the prediction of behavior of functionally graded plates, the new program code in the software package MATLAB has been developed based on the theories studied in this paper. The effects of transversal shear deformation, side-to-thickness ratio, and volume fraction distributions are studied and appropriate conclusions are given.
Facile Oil Removal from Water-in-Oil Stable Emulsions Using PU Foams
Authors: Barroso-Solares Suset , Pinto Javier , Fragouli Despina , Athanassiou Athanassia
Published: November 2018

Superhydrophobic and oleophilic polyurethane foams were obtained by spray-coating their surfaces with solutions of thermoplastic polyurethane and hydrophobic silicon oxide nanoparticles. The developed functionalized foams were exploited as reusable oil absorbents from stable water-in-oil emulsions. These foams were able to remove oil efficiently from a wide range of emulsions with oil contents from 10 to 80 v.%, stabilized using Span80. The modified foams could reach oil absorption capacities up to 29 g/g, becoming a suitable candidate for water-in-oil stable emulsions separation.
Flexural and Free Vibration Analysis of CNT-Reinforced Functionally Graded Plate
Authors: Ansari Md Irfan , Kumar Ajay , Fic Stanisław , Barnat-Hunek Danuta
Published: November 2018

This paper examines the effect of uniaxially aligned carbon nanotube (CNT) on flexural and free vibration analysis of CNT-reinforced functionally graded plate. The mathematical model includes expansion of Taylor’s series up to the third degree in the thickness co-ordinate. Since there is a parabolic variation in transverse shear strain deformation across the thickness co-ordinate, the shear correction factor is not necessary. A nine-node two-dimensional (2D) C0 isoparametric element containing seven nodal unknowns per node was developed in the finite element code. The final material properties of CNT-reinforced functionally graded plate are estimated using the extended rule of mixture. The effect of CNT distribution, boundary condition, volume fraction and loading pattern are studied by developing a finite element code. An additional finite element code was developed for the study of the influence of concentrated mass on free vibration analysis of CNT-reinforced functionally graded plate.
Structural, Magnetic, and Mössbauer Studies of Transition Metal-Doped Gd2Fe16Ga0.5TM0.5 Intermetallic Compounds (TM = Cr, Mn, Co, Ni, Cu, and Zn)
Authors: Dahal J. , Ali K. , Mishra S. , Alam J.
Published: November 2018

The effect of transition metal substitution for Fe and the structural and magnetic properties of Gd2Fe16Ga0.5TM0.5 (TM = Cr, Mn, Co, Ni, Cu, and Zn) compounds were investigated in this study. Rietveld analysis of X-ray data indicates that all the samples crystallize in the hexagonal Th2Ni17 structure. The lattice parameters a, c, and the unit cell volume show TM ionic radii dependence. Both Ga and TM atoms show preferred site occupancy for 12j and 12k sites. The saturation magnetization at room temperature was observed for Co, Ni, and Cu of 69, 73, and 77 emu/g, respectively, while a minimum value was observed for Zn (62 emu/g) doping in Gd2Fe16Ga0.5TM0.5. The highest Curie temperature of 590 K was observed for Cu doping which is 15 and 5% higher than Gd2Fe17 and Gd2Fe16Ga compounds, respectively. The hyperfine parameters viz. hyperfine field and isomer shift show systematic dependence on the TM atomic number. The observed magnetic and Curie temperature behavior in Gd2Fe16Ga0.5TM0.5 is explained on the basis of Fe(3d)-TM(3d) hybridization. The superior Curie temperature and magnetization value of Co-, Ni-, and Cu-doped Gd2Fe16Ga0.5TM0.5 compounds as compared to pure Gd2Fe17 or Gd2Fe16Ga makes Gd2Fe16Ga0.5TM0.5 a potential candidate for high-temperature industrial magnet applications.
Probabilistic Interpretation of Solutions of Linear Ultraparabolic Equations
Authors: Marcozzi Michael D.
Published: November 2018

We demonstrate the existence, uniqueness and Galerkin approximatation of linear ultraparabolic terminal value/infinite-horizon problems on unbounded spatial domains. Furthermore, we provide a probabilistic interpretation of the solution in terms of the expectation of an associated ultradiffusion process.
A Sharp Rellich Inequality on the Sphere
Authors: Yin Songting
Published: November 2018

We obtain a Rellich type inequality on the sphere and give the corresponding best constant. The result complements some related inequalities in recent literatures.
Chemical Constituents of the Marine-Derived Fungus Aspergillus sp. SCS-KFD66
Authors: An Chang-Liang , Kong Fan-Dong , Ma Qing-Yun , Xie Qing-Yi , Yuan Jing-Zhe , Zhou Li-Man , Dai Hao-Fu , Yu Zhi-Fang , Zhao You-Xing
Published: November 2018

Five new compounds named asperpenes A-C (1–3), 12,13-dedihydroversiol (4), and methyl 6-oxo-3,6-dihydro-2H-pyran-4-carboxylate (5), along with 10 known compounds (6–15), were isolated from the fermentation broth of Aspergillus sp. SCS-KFD66 associated with a bivalve mollusk, Sanguinolaria chinensis, collected from Haikou Bay, China. The structures of the compounds, including the absolute configurations of their stereogenic carbons, were unambiguously determined by spectroscopic data, single-crystal X-ray diffraction analysis, and electronic circular dichroism (ECD) spectral analysis, along with quantum ECD calculations. The growth inhibitory activity of the compounds against four pathogenic bacterial (Escherichia coli ATCC 25922, Staphylococcus aureus ATCC 6538, Listeria monocytogenes ATCC 1911, and Bacillus subtilis ATCC 6633), their enzyme inhibitory activities against acetylcholinesterase and α-glucosidase, and their DPPH radical scavenging activity were evaluated.
Angucycline Glycosides from an Intertidal Sediments Strain Streptomyces sp. and Their Cytotoxic Activity against Hepatoma Carcinoma Cells
Authors: Peng Aihong , Qu Xinying , Liu Fangyuan , Li Xia , Li Erwei , Xie Weidong
Published: November 2018

Four angucycline glycosides including three new compounds landomycin N (1), galtamycin C (2) and vineomycin D (3), and a known homologue saquayamycin B (4), along with two alkaloids 1-acetyl-β-carboline (5) and indole-3-acetic acid (6), were isolated from the fermentation broth of an intertidal sediments-derived Streptomyces sp. Their structures were established by IR, HR-ESI-MS, 1D and 2D NMR techniques. Among the isolated angucyclines, saquayamycin B (4) displayed potent cytotoxic activity against hepatoma carcinoma cells HepG-2, SMMC-7721 and plc-prf-5, with IC50 values 0.135, 0.033 and 0.244 μM respectively, superior to doxorubicin. Saquayamycin B (4) also induced apoptosis in SMMC-7721 cells as detected by its morphological characteristics in 4′,6-diamidino-2-phenylindole (DAPI) staining experiment.
Mutagenesis Studies and Structure-function Relationships for GalNAc/Gal-Specific Lectin from the Sea Mussel Crenomytilus grayanus
Authors: Kovalchuk Svetlana , Buinovskaya Nina , Likhatskaya Galina , Rasskazov Valery , Son Oksana , Tekutyeva Liudmila , Balabanova Larissa
Published: November 2018

The GalNAc/Gal-specific lectin from the sea mussel Crenomytilus grayanus (CGL) with anticancer activity represents а novel lectin family with β-trefoil fold. Earlier, the crystal structures of CGL complexes with globotriose, galactose and galactosamine, and mutagenesis studies have revealed that the lectin contained three carbohydrate-binding sites. The ability of CGL to recognize globotriose (Gb3) on the surface of breast cancer cells and bind mucin-type glycoproteins, which are often associated with oncogenic transformation, makes this compound to be perspective as a biosensor for cancer diagnostics. In this study, we describe results on in silico analysis of binding mechanisms of CGL to ligands (galactose, globotriose and mucin) and evaluate the individual contribution of the amino acid residues from carbohydrate-binding sites to CGL activity by site-directed mutagenesis. The alanine substitutions of His37, His129, Glu75, Asp127, His85, Asn27 and Asn119 affect the CGL mucin-binding activity, indicating their importance in the manifestation of lectin activity. It has been found that CGL affinity to ligands depends on their structure, which is determined by the number of hydrogen bonds in the CGL-ligand complexes. The obtained results should be helpful for understanding molecular machinery of CGL functioning and designing a synthetic analog of CGL with enhanced carbohydrate-binding properties.
Production Inhibition and Excretion Promotion of Urate by Fucoidan from Laminaria japonica in Adenine-Induced Hyperuricemic Mice
Authors: Zhang Dayan , Liu Huazhong , Luo Ping , Li Yanqun
Published: November 2018

This work aims to explore the amelioration of fucoidan on adenine-induced hyperuricemia and hepatorental damage. Adenine-induced hyperuricemic mice were administered with fucoidan, allopurinol and vehicle control respectively to compare the effects of the drugs. Serum uric acid, urea nitrogen, hepatorenal functions, activities of hepatic adenosine deaminase (ADA), xanthine oxidase (XOD), renal urate transporter 1 (URAT1) and NF-κB p65 were assessed. As the serum uric acid, urea nitrogen, creatinine, glutamic oxalacetic transaminase (GOT), glutamic pyruvic transaminase (GPT), superoxide dismutase (SOD), catalase (CAT) and malondialdehyde (MDA) data demonstrated, the adenine not only mediated hepatorenal function disorders, but also induced hyperuricemia in mice. Meanwhile, activities of hepatic ADA and XOD were markedly augmented by adenine, and the expression of URAT1 was promoted, which was conducive to the reabsorption of urate. However, exposure to fucoidan completely reversed those adenine-induced negative alternations in mice, and the activities of hepatic ADA and XOD were recovered to the normal level. It was obvious that hepatic and renal functions were protected by fucoidan treatment. The expression of URAT1 was returned to normal, resulting in an increase of renal urate excretion and consequent healing of adenine-induced hyperuricemia in mice. Expression and activation of NF-κB p65 was promoted in kidneys of adenine treated mice, but suppressed in kidneys of mice exposed to fucoidan from Laminaria japonica or allopurinol. In conclusion, the fucoidan is a potential therapeutic agent for the treatment of hyperuricemia through dual regulatory roles on inhibition of hepatic metabolism and promotion of renal excretion of urate.
Multidrug-Resistant Gram-Negative Bacilli: A Retrospective Study of Trends in a Tertiary Healthcare Unit
Authors: Muntean Delia , Horhat Florin-George , Bădițoiu Luminița , Dumitrașcu Victor , Bagiu Iulia-Cristina , Horhat Delia-Ioana , Coșniță Dan A. , Krasta Anca , Dugăeşescu Dorina , Licker Monica
Published: November 2018

Background and objective: Bacterial multidrug resistance is particularly common in Gram-negative bacilli (GNB), with important clinical consequences regarding their spread and treatment options. The aim of this study was to investigate the trend of multidrug-resistant GNB (MDR-GNB) in high-risk hospital departments, between 2000–2015, in intervals of five years, with the intention of improving antibiotic therapy policies and optimising preventive and control practices. Materials and methods: This is an observational, retrospective study performed in three departments of the most important tertiary healthcare unit in the southwestern part of Romania: the Intensive Care Unit (ICU), the General Surgery Department (GSD), and the Nutrition and Metabolic Diseases Department (NMDD). MDR was defined as acquired resistance to at least one agent in three or more antimicrobial categories. Trends over time were determined by the Cochran–Armitage trend test and linear regression. Results: During the study period, a total of 2531 strains of MDR-GNB were isolated in 1999 patients: 9.20% in 2000, 18.61% in 2005, 37.02% in 2010, and 35.17% in 2015. The most significant increasing trend was recorded in the ICU (gradient = 7.63, R² = 0.842, p < 0.001). The most common MDR-GNB in the ICU was isolated from bronchoalveolar aspiration samples. Concerning the proportion of different species, most of the changes were recorded in the ICU, where a statistically significant increasing trend was observed for Proteus mirabilis (gradient = 2.62, R2 = 0.558, p < 0.001) and Acinetobacter baumannii (gradient = 2.25, R2 = 0.491, p < 0.001). Analysis of the incidence of the main resistance phenotypes proportion identified a statistically significant increase in carbapenem resistance in the ICU (Gradient = 8.27, R² = 0.866, p < 0.001), and an increased proportion of aminoglycoside-resistant strains in all three departments, but more importantly in the ICU and GSD. Conclusion: A statistically significant increasing trend was observed in all three departments; the most significant one was recorded in the ICU, where after 2010, carbapenem-resistant strains were isolated.
Treatment of Flue Gas Desulfurization Wastewater by an Integrated Membrane-Based Process for Approaching Zero Liquid Discharge
Authors: Conidi Carmela , Macedonio Francesca , Ali Aamer , Cassano Alfredo , Criscuoli Alessandra , Argurio Pietro , Drioli Enrico
Published: November 2018

An integrated membrane process for the treatment of wastewaters from a flue gas desulfurization (FGD) plant was implemented on a laboratory scale to reduce their salt content and to produce a water stream to be recycled in the power industry. The process is based on a preliminary pretreatment of FGD wastewaters, which includes chemical softening and ultrafiltration (UF) to remove Ca2+ and Mg2+ ions as well as organic compounds. The pretreated wastewaters were submitted to a reverse osmosis (RO) step to separate salts from water. The RO retentate was finally submitted to a membrane distillation (MD) step to extract more water, thus increasing the total water recovery factor while producing a high-purity permeate stream. The performance of RO and MD membranes was evaluated by calculating salts rejection, permeate flux, fouling index, and water recovery. The investigated integrated system allowed a total recovery factor of about 94% to be reached, with a consequent reduction of the volume of FGD wastewater to be disposed, and an MD permeate stream with an electrical conductivity of 80 μS/cm, able to be reused in the power plant, with a saving in fresh water demand.
Mineralogy, Crystallography and Structural Complexity of Natural Uranyl Silicates
Authors: Plášil Jakub
Published: November 2018

Naturally occurring uranyl silicates are common constituents of the oxidized parts (i.e., supergene zone) of various types of uranium deposits. Their abundance reflects the widespread distribution of Si4+ in the Earth’s crust and, therefore, in groundwaters. Up to date, 16 uranyl silicate minerals are known. Noteworthy is that the natural uranyl silicates are not extremely diverse regarding their crystal structures; it is a result of possible concentrations (activity) of Si4+ in aqueous solutions derived from dissolution of primary Si minerals or the composition of late hydrothermal fluids. Therefore, in natural systems, we distinguish in fact among two groups of uranyl silicate minerals: uranophane and weeksite-group. They differ in U:Si ratio (uranophane, 1:1; weeksite, 2:5) and they form under different conditions, reflected in distinctive mineral associations. An overview of crystal-chemistry is provided in this paper, along with the new structure data for few members of the uranophane group. Calculations of the structural complexity parameters for natural uranyl silicates are commented about as well as other groups of uranyl minerals; these calculations are also presented from the point of view of the mineral paragenesis and associations.
A Null B-Ring Improves the Antioxidant Levels of Flavonol: A Comparative Study between Galangin and 3,5,7-Trihydroxychromone
Authors: Ouyang Xiaojian , Li Xican , Lu Wenbiao , Zhao Xiaojun , Chen Dongfeng
Published: November 2018

To clarify the role of the B-ring in antioxidant flavonols, we performed a comparative study between galangin with a null B-ring and 3,5,7-trihydroxychromone without a B-ring using five spectrophotometric assays, namely, •O2−-scavenging, 1,1-diphenyl-2-picrylhydrazyl radical (DPPH•)-scavenging, 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide radical-scavenging, 2,2′-azino-bis(3-ethylbenzo-thiazoline-6-sulfonic acid) radical-scavenging, and Fe3+-reducing activity. The DPPH•-scavenging reaction products of these assays were further analyzed by ultra-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (UPLC-ESI-Q-TOF-MS/MS) technology. In the five spectrophotometric assays, galangin and 3,5,7-trihydroxychromone dose-dependently increased their radical-scavenging (or Fe3+-reducing) percentages. However, galangin always gave lower IC50 values than those of 3,5,7-trihydroxychromone. In the UPLC-ESI-Q-TOF-MS/MS analysis, galangin yielded galangin-DPPH adduct MS peaks (m/z 662, 434, 301, 227,196, and 151) and galangin-galangin dimer MS peaks (m/z 538, 385, 268, 239, 211, 195, and 151). 3,5,7-Trihydroxychromone, however, only generated m/z 3,5,7-trihydroxychromone-DPPH adduct MS peaks (m/z 586, 539, 227, 196, and 136). In conclusion, both galangin and 3,5,7-trihydroxychromone could similarly undergo multiple antioxidant pathways, including redox-dependent pathways (such as electron transfer (ET) and ET plus proton transfer (PT)) and a non-redox-dependent radical adduct formation (RAF) pathway; thus, the null B-ring could hardly change their antioxidant pathways. However, it did improve their antioxidant levels in these pathways. Such improvement of the B-ring toward an antioxidant flavonol is associated with its π-π conjugation, which can provide more resonance forms and bonding sites.
Aminoribosylated Analogues of Muraymycin Nucleoside Antibiotics
Authors: Wiegmann Daniel , Koppermann Stefan , Ducho Christian
Published: November 2018

Nucleoside antibiotics are uridine-derived natural products that inhibit the bacterial membrane protein MraY. MraY is a key enzyme in the membrane-associated intracellular stages of peptidoglycan biosynthesis and therefore considered to be a promising, yet unexploited target for novel antibacterial agents. Muraymycins are one subclass of such naturally occurring MraY inhibitors. As part of structure-activity relationship (SAR) studies on muraymycins and their analogues, we now report on novel derivatives with different attachment of one characteristic structural motif, i.e., the aminoribose moiety normally linked to the muraymycin glycyluridine core unit. Based on considerations derived from an X-ray co-crystal structure, we designed and synthesised muraymycin analogues having the aminoribose attached (via a linker) to either the glycyluridine amino group or to the uracil nucleobase. Reference compounds bearing the non-aminoribosylated linker units were also prepared. It was found that the novel aminoribosylated analogues were inactive as MraY inhibitors in vitro, but that the glycyluridine-modified reference compound retained most of the inhibitory potency relative to the unmodified parent muraymycin analogue. These results point to 6′-N-alkylated muraymycin analogues as a potential novel variation of the muraymycin scaffold for future SAR optimisation.
A Multi-Level Strategy Based on Metabolic and Molecular Genetic Approaches for the Characterization of Different Coptis Medicines Using HPLC-UV and RAD-seq Techniques
Authors: Zhong Furong , Shen Chan , Qi Luming , Ma Yuntong
Published: November 2018

Coptis plants (Ranunculaceae) to have played an important role in the prevention and treatment human diseases in Chinese history. In this study, a multi-level strategy based on metabolic and molecular genetic methods was performed for the characterization of four Coptis herbs (C. chinensis, C. deltoidea, C. omeiensis and C. teeta) using high performance liquid chromatography-ultraviolet (HPLC-UV) and restriction site-associated DNA sequencing (RAD-seq) techniques. Protoberberine alkaloids including berberine, palmatine, coptisine, epiberberine, columbamine, jatrorrhizine, magnoflorine and groenlandicine in rhizomes were identified and determined based on the HPLC-UV method. Among them, berberine was demonstrated as the most abundant compound in these plants. RAD-seq was applied to discover single nucleotide polymorphisms (SNPs) data. A total of 44,747,016 reads were generated and 2,443,407 SNPs were identified in regarding to four plants. Additionally, with respect to complicated metabolic and SNP data, multivariable statistical methods of principal component analysis (PCA) and hierarchical cluster analysis (HCA) were successively applied to interpret the structure characteristics. The metabolic variation and genetic relationship among different Coptis plants were successfully illustrated based on data visualization. Summarily, this comprehensive strategy has been proven as a reliable and effective approach to characterize Coptis plants, which can provide additional information for their quality assessment.
Liquid Chromatographic Strategies for Separation of Bioactive Compounds in Food Matrices
Authors: Cavaliere Chiara , Capriotti Anna Laura , La Barbera Giorgia , Montone Carmela Maria , Piovesana Susy , Laganà Aldo
Published: November 2018

Nowadays, there is an increasing attention for nutraceuticals and, in general, bioactive compounds naturally present in food. Indeed, the possibility of preserving human health and preventing disease (e.g., cardiovascular diseases, cancer etc.) by the intake of healthy food is attractive for both consumers and food industries. In turn, research in this field was also prompted significantly, with the aim of characterizing these bioactive compounds and ascribe to them a specific activity. The bioactive compounds can belong to several chemical classes. However, their chemical diversity and presence in complex matrices, such as food, make it challenging both their isolation and characterization. To tackle this issue, efficient separation systems are needed, which are mainly based on chromatography. In this context, this mini-review aims to provide the reader with an overview of the most relevant and recent approaches for the separation of the most common bioactive compounds in food, in particular polyphenols, phenols, carotenoids, and peptides, by liquid chromatography approaches.
Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures
Authors: Kutlushina Alina , Khakimova Aigul , Madzhidov Timur , Polishchuk Pavel
Published: November 2018

Pharmacophore modeling is a widely used strategy for finding new hit molecules. Since not all protein targets have available 3D structures, ligand-based approaches are still useful. Currently, there are just a few free ligand-based pharmacophore modeling tools, and these have a lot of restrictions, e.g., using a template molecule for alignment. We developed a new approach to 3D pharmacophore representation and matching which does not require pharmacophore alignment. This representation can be used to quickly find identical pharmacophores in a given set. Based on this representation, a 3D pharmacophore ligand-based modeling approach to search for pharmacophores which preferably match active compounds and do not match inactive ones was developed. The approach searches for 3D pharmacophore models starting from 2D structures of available active and inactive compounds. The implemented approach was successfully applied for several retrospective studies. The results were compared to a 2D similarity search, demonstrating some of the advantages of the developed 3D pharmacophore models. Also, the generated 3D pharmacophore models were able to match the 3D poses of known ligands from their protein-ligand complexes, confirming the validity of the models. The developed approach is available as an open-source software tool: http://www.qsar4u.com/pages/pmapper.php and https://github.com/meddwl/psearch.
Dissociative Ionization and Coulomb Explosion of Molecular Bromocyclopropane in an Intense Femtosecond Laser Field
Authors: Liu Botong , Yang Yan , Sun Haitao , Sun Zhenrong
Published: November 2018

The dissociative ionization and Coulomb explosion of molecular bromocyclopropane (BCP) has been experimentally investigated by time-of-flight mass spectrum and dc-slice imaging technology. The sliced 2D images, kinetic energy releases and angular distributions of the fragment ions are obtained under the intense femtosecond laser fields (8.0 × 1013–2.0 × 1014 W/cm2). The results indicated that the low kinetic energy release (KER) components come from dissociative ionization of BCP+, while the high KER components come from Coulomb explosion of BCP2+. The chemical reaction path of BCP+ has been calculated by ab initio calculation, furthermore, the C-Br bond cleavage involved Coulomb explosion channels have been revealed, and the corresponding dehydrogenation mechanism has been confirmed.
Recognition of Protein Pupylation Sites by Adopting Resampling Approach
Authors: Li Tao , Chen Yan , Li Taoying , Jia Cangzhi
Published: November 2018

With the in-depth study of posttranslational modification sites, protein ubiquitination has become the key problem to study the molecular mechanism of posttranslational modification. Pupylation is a widely used process in which a prokaryotic ubiquitin-like protein (Pup) is attached to a substrate through a series of biochemical reactions. However, the experimental methods of identifying pupylation sites is often time-consuming and laborious. This study aims to propose an improved approach for predicting pupylation sites. Firstly, the Pearson correlation coefficient was used to reflect the correlation among different amino acid pairs calculated by the frequency of each amino acid. Then according to a descending ranked order, the multiple types of features were filtered separately by values of Pearson correlation coefficient. Thirdly, to get a qualified balanced dataset, the K-means principal component analysis (KPCA) oversampling technique was employed to synthesize new positive samples and Fuzzy undersampling method was employed to reduce the number of negative samples. Finally, the performance of our method was verified by means of jackknife and a 10-fold cross-validation test. The average results of 10-fold cross-validation showed that the sensitivity (Sn) was 90.53%, specificity (Sp) was 99.8%, accuracy (Acc) was 95.09%, and Matthews Correlation Coefficient (MCC) was 0.91. Moreover, an independent test dataset was used to further measure its performance, and the prediction results achieved the Acc of 83.75%, MCC of 0.49, which was superior to previous predictors. The better performance and stability of our proposed method showed it is an effective way to predict pupylation sites.
Rice Secondary Metabolites: Structures, Roles, Biosynthesis, and Metabolic Regulation
Authors: Wang Weixuan , Li Yuying , Dang Pengqin , Zhao Siji , Lai Daowan , Zhou Ligang
Published: November 2018

Rice (Oryza sativa L.) is an important food crop providing energy and nutrients for more than half of the world population. It produces vast amounts of secondary metabolites. At least 276 secondary metabolites from rice have been identified in the past 50 years. They mainly include phenolic acids, flavonoids, terpenoids, steroids, alkaloids, and their derivatives. These metabolites exhibit many physiological functions, such as regulatory effects on rice growth and development, disease-resistance promotion, anti-insect activity, and allelopathic effects, as well as various kinds of biological activities such as antimicrobial, antioxidant, cytotoxic, and anti-inflammatory properties. This review focuses on our knowledge of the structures, biological functions and activities, biosynthesis, and metabolic regulation of rice secondary metabolites. Some considerations about cheminformatics, metabolomics, genetic transformation, production, and applications related to the secondary metabolites from rice are also discussed.
Exploiting the Electronic Tuneability of Carboranes as Supports for Frustrated Lewis Pairs
Authors: Benton Amanda , Copeland Zachariah , M. Mansell Stephen , M. Rosair Georgina , Welch Alan J.
Published: November 2018

The first example of a carborane with a catecholborolyl substituent, [1-Bcat-2-Ph-closo-1,2-C2B10H10] (1), has been prepared and characterized and shown to act as the Lewis acid component of an intermolecular frustrated Lewis pair in catalyzing a Michael addition. In combination with B(C6F5)3 the C-carboranylphosphine [1-PPh2-closo-1,2-C2B10H11] (IVa) is found to be comparable with PPh2(C6F5) in its ability to catalyze hydrosilylation, whilst the more strongly basic B-carboranylphosphine [9-PPh2-closo-1,7-C2B10H11] (V) is less effective and the very weakly basic species [μ-2,2′-PPh-{1-(1′-1′,2′-closo-C2B10H10)-1,2-closo-C2B10H10}] (IX) is completely ineffective. Base strengths are rank-ordered via measurement of the 1J 31P-77Se coupling constants of the phosphineselenides [1-SePPh2-closo-1,2-C2B10H11] (2), [9-SePPh2-closo-1,7-C2B10H11] (3), and [SePPh2(C6F5)] (4).