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https://www.readbyqxmd.com/read/29780992/electrostatic-interactions-in-soft-particle-systems-mesoscale-simulations-of-ionic-liquids
#1
Yong-Lei Wang, You-Liang Zhu, Zhong-Yuan Lu, Aatto Laaksonen
Computer simulations provide a unique insight into the microscopic details, molecular interactions and dynamic behavior responsible for many distinct physicochemical properties of ionic liquids. Due to the sluggish and heterogeneous dynamics and the long-ranged nanostructured nature of ionic liquids, coarse-grained meso-scale simulations provide an indispensable complement to detailed first-principles calculations and atomistic simulations allowing studies over extended length and time scales with a modest computational cost...
May 21, 2018: Soft Matter
https://www.readbyqxmd.com/read/29771488/enhanced-corrosion-resistance-and-interfacial-conductivity-of-tic-x-a-c-nanolayered-coatings-via-synergy-of-substrate-bias-voltage-for-bipolar-plates-applications-in-pemfcs
#2
Peiyun Yi, Weixin Zhang, Feifei Bi, Linfa Peng, Xinmin Lai
Proton exchange membrane fuel cells (PEMFCs) are renewable and clean energy conversion device, of which the metallic bipolar plates are one of the key components. However, high interfacial contact resistance and poor corrosion resistance are still great challenges for the commercialization of metallic bipolar plates. In this study, we demonstrated a novel strategy for depositing TiCx /a-C nanolayered coatings by synergy of 60 V and 300 V bias voltage to enhance corrosion resistance and interfacial conductivity...
May 17, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29769406/spindle-assembly-disruption-and-cancer-cell-apoptosis-with-a-cltc-binding-compound
#3
Michael J Bond, Marina Bleiler, Lauren E Harrison, Eric W Scocchera, Masako Nakanishi, Narendran G-Dayanandan, Santosh Keshipeddy, Daniel W Rosenberg, Dennis L Wright, Charles Giardina
AK3 compounds are mitotic-arrest agents that induce high levels of γH2AX during mitosis and apoptosis following release from arrest. We synthesized a potent AK3 derivative, AK306, that induced arrest and apoptosis of the HCT116 colon cancer cell line with an EC50 of ~50 nM. AK306 was active on a broad spectrum of cancer cell lines with total growth inhibition values ranging from ~25 nM to 25 µM. Using biotin and BODIPY-linked derivatives of AK306, binding to clathrin heavy chain (CLTC/CHC) was observed, a protein with roles in endocytosis and mitosis...
May 16, 2018: Molecular Cancer Research: MCR
https://www.readbyqxmd.com/read/29761519/evaluation-of-needle-trap-micro-extraction-and-solid-phase-micro-extraction-obtaining-comprehensive-information-on-volatile-emissions-from-in-vitro-cultures
#4
Peter Oertel, Andreas Bergmann, Sina Fischer, Phillip Trefz, Anne Küntzel, Petra Reinhold, Heike Köhler, Jochen K Schubert, Wolfram Miekisch
Volatile organic compounds (VOCs) emitted from in vitro cultures may reveal information on species and metabolism. Due to low nmol L-1 concentration ranges, pre-concentration techniques are required for gas-chromatography mass-spectrometry (GC-MS) based analyses. This study was intended to compare the efficiency of established micro-extraction techniques - solid-phase micro-extraction (SPME) and needle-trap micro-extraction (NTME) - for the analysis of complex VOC patterns. For SPME, a 75 μm Carboxen®/Polydimethylsiloxane fibre was used...
May 14, 2018: Biomedical Chromatography: BMC
https://www.readbyqxmd.com/read/29756881/light-induced-type-ii-band-inversion-and-quantum-anomalous-hall-state-in-monolayer-fese
#5
Z F Wang, Zhao Liu, Jinlong Yang, Feng Liu
Coupling a quantum anomalous Hall (QAH) state with a superconducting state offers an attractive approach to detect the signature alluding to a topological superconducting state [Q. L. He et al., Science 357, 294 (2017)SCIEAS0036-807510.1126/science.aag2792], but its explanation could be clouded by disorder effects in magnetic doped QAH materials. On the other hand, an antiferromagnetic (AFM) quantum spin Hall (QSH) state is identified in the well-known high-temperature 2D superconductor of monolayer FeSe [Z...
April 13, 2018: Physical Review Letters
https://www.readbyqxmd.com/read/29756280/determination-of-phenolic-compounds-and-antioxidant-activities-from-peel-flesh-seed-of-guava-psidium-guajava-l
#6
Xuan Liu, Xu Yan, Jinfeng Bi, Jianing Liu, Mo Zhou, Xinye Wu, Qinqin Chen
White-flesh guava is widely planted in tropical or subtropical areas of Southeast Asia. Despite of folk statements on specific function, few researches are focused on the description of its plant secondary metabolites. In the present work, contents of total phenolics and flavonoids as well as antioxidant activity from different parts (peel, flesh and seed) were determined. The constituents of ethanol extracts were characterized by HPLC-QTOF-MS. A total of 69 phenolic compounds as well as 9 polar compounds were detected, with flavonoids, hydrolyzable tannins, phenolic acid derivatives and benzophenones of the four predominant phenolic compounds...
May 13, 2018: Electrophoresis
https://www.readbyqxmd.com/read/29749074/colossal-negative-thermal-expansion-in-electron-doped-pbvo3-perovskites
#7
Hajime Yamamoto, Takashi Imai, Yuki Sakai, Masaki Azuma
Colossal negative thermal expansion (NTE) with a volume contraction of about 8%, the largest value reported so far for NTE materials, was observed in an electron-doped giant tetragonal perovskite compound Pb1-xBixVO3 (x = 0.2 and 0.3). A polar tetragonal (P4mm) to non-polar cubic structural transition took place upon heating. The coefficient of thermal expansion (CTE) and the working temperature could be tuned by changing the Bi content, and La substitution decreased the transition temperature to room temperature...
May 11, 2018: Angewandte Chemie
https://www.readbyqxmd.com/read/29744412/biodegradation-behavior-of-magnesium-and-zk60-alloy-in-artificial-urine-and-rat-models
#8
Shiying Zhang, Yanze Bi, Jianye Li, Zhenguo Wang, Jingmin Yan, Jiawang Song, Haibo Sheng, Heqing Guo, Yan Li
In this work, the biodegradable and histocompatibility properties of pure Mg and ZK60 alloy were investigated as new temporary implants for urinary applications. The corrosion mechanism in artificial urine was proposed using electrochemical impedance spectroscopy and potentiodynamic polarization tests. The corrosion potential of pure magnesium and ZK60 alloy were -1820 and -1561 mV, respectively, and the corrosion current densities were 59.66 ± 6.41 and 41.94 ± 0.53 μA cm-2 , respectively. The in vitro degradation rates for pure Mg and ZK60 alloy in artificial urine were 0...
June 2017: Bioactive Materials
https://www.readbyqxmd.com/read/29743631/spin-valley-and-giant-quantum-spin-hall-gap-of-hydrofluorinated-bismuth-nanosheet
#9
Heng Gao, Wei Wu, Tao Hu, Alessandro Stroppa, Xinran Wang, Baigeng Wang, Feng Miao, Wei Ren
Spin-valley and electronic band topological properties have been extensively explored in quantum material science, yet their coexistence has rarely been realized in stoichiometric two-dimensional (2D) materials. We theoretically predict the quantum spin Hall effect (QSHE) in the hydrofluorinated bismuth (Bi2 HF) nanosheet where the hydrogen (H) and fluorine (F) atoms are functionalized on opposite sides of bismuth (Bi) atomic monolayer. Such Bi2 HF nanosheet is found to be a 2D topological insulator with a giant band gap of 0...
May 9, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29743292/cholesterol-negatively-regulates-il-9-producing-cd8-t-cell-differentiation-and-antitumor-activity
#10
Xingzhe Ma, Enguang Bi, Chunjian Huang, Yong Lu, Gang Xue, Xing Guo, Aibo Wang, Maojie Yang, Jianfei Qian, Chen Dong, Qing Yi
CD8+ T cells can be polarized into IL-9-secreting (Tc9) cells. We previously showed that adoptive therapy using tumor-specific Tc9 cells generated stronger antitumor responses in mouse melanoma than classical Tc1 cells. To understand why Tc9 cells exert stronger antitumor responses, we used gene profiling to compare Tc9 and Tc1 cells. Tc9 cells expressed different levels of cholesterol synthesis and efflux genes and possessed significantly lower cholesterol content than Tc1 cells. Unique to Tc9, but not other CD8+ or CD4+ T cell subsets, manipulating cholesterol content in polarizing Tc9 cells significantly affected IL-9 expression and Tc9 differentiation and antitumor response in vivo...
May 9, 2018: Journal of Experimental Medicine
https://www.readbyqxmd.com/read/29731443/2-5-substituted-phenyl-1-3-4-oxadiazol-2-yl-sulfanyl-n-1-3-thiazol-2-yl-acetamides-new-bi-heterocycles-as-possible-therapeutic-agents
#11
Muhammad Shahid Ramzan, Muhammad Athar Abbasi, Azizur Rehman, Sabahat Zahra Siddiqui, Syed Adnan Ali Shah, Muhammad Ashraf, Bushra Mirza, Hammad Ismail
An electrophile, N-(1,3-thiazol-2-yl)-2-bromoacetamide (3), was synthesized by the reaction of 1,3-thiazole-2-amine (1) and 2-bromoethanoyl bromide (2) in an aqueous medium. A series of carboxylic acids, 7a-j, were converted into 1,3,4-oxadiazole heterocyclic core, through a series of three steps. The final compounds, 8a-j, were synthesized by stirring 7a-j and 3 in an aprotic polar solvent. The structural elucidation of the synthesized compounds was supported by IR, EI-MS, 1H-NMR, and 13 C-NMR spectral data...
May 2018: Pakistan Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/29731289/solvent-effects-on-the-retention-mechanisms-of-an-amylose-based-sorbent
#12
Hung-Wei Tsui, Kai-Tse Cheng, Ang-Yeh Lin, Sin-Chang Chen, Yi-Lun Hung, Ping-Yi Chou
The mobile phase, when used in combination with a polysaccharide-based sorbent, often contains hydrocarbons with polar modifiers. Studies have investigated the effect of solvent on the recognition mechanism of polysaccharide-based sorbents, but it remains unclear how these modifier molecules affect solute retention behavior. This study used an amylose 3,5-dichlorophenylcarbamate-based sorbent to systematically investigate the retention behavior of various solutes as a function of the concentration of four polar modifiers: ethanol, isopropanol, methyl tert-butyl ether, and acetone...
April 27, 2018: Journal of Chromatography. A
https://www.readbyqxmd.com/read/29717314/solvent-effects-for-vertical-absorption-and-emission-processes-in-solution-using-a-self-consistent-state-specific-method-based-on-constrained-equilibrium-thermodynamics
#13
Ting-Jun Bi, Long-Kun Xu, Fan Wang, Xiang-Yuan Li
A self-consistent state specific (SS) method in the framework of TDDFT is presented to account for solvent effects on absorption and emission processes for molecules in solution. In these processes, the initial state is an equilibrium state, while the polarization of the solvent is in nonequilibrium with the electron density of the solute in the final state. Nonequilibrium solvation free energy is calculated based on a novel nonequilibrium solvation model with constrained equilibrium manipulation. The bulk solvent effects are considered using the polarizable continuum method (PCM), where the solvent-solute interaction is described with a reaction field...
May 2, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29706521/chromosome-segregation-is-biased-by-kinetochore-size
#14
Danica Drpic, Ana C Almeida, Paulo Aguiar, Fioranna Renda, Joana Damas, Harris A Lewin, Denis M Larkin, Alexey Khodjakov, Helder Maiato
Chromosome missegregation during mitosis or meiosis is a hallmark of cancer and the main cause of prenatal death in humans. The gain or loss of specific chromosomes is thought to be random, with cell viability being essentially determined by selection. Several established pathways including centrosome amplification, sister-chromatid cohesion defects, or a compromised spindle assembly checkpoint can lead to chromosome missegregation. However, how specific intrinsic features of the kinetochore-the critical chromosomal interface with spindle microtubules-impact chromosome segregation remains poorly understood...
April 20, 2018: Current Biology: CB
https://www.readbyqxmd.com/read/29693694/flocking-transitions-in-confluent-tissues
#15
Fabio Giavazzi, Matteo Paoluzzi, Marta Macchi, Dapeng Bi, Giorgio Scita, M Lisa Manning, Roberto Cerbino, M Cristina Marchetti
Collective cell migration in dense tissues underlies important biological processes, such as embryonic development, wound healing and cancer invasion. While many aspects of single cell movements are now well established, the mechanisms leading to displacements of cohesive cell groups are still poorly understood. To elucidate the emergence of collective migration in mechanosensitive cells, we examine a self-propelled Voronoi (SPV) model of confluent tissues with an orientational feedback that aligns a cell's polarization with its local migration velocity...
April 25, 2018: Soft Matter
https://www.readbyqxmd.com/read/29688794/spindle-assembly-checkpoint-strength-is-linked-to-cell-fate-in-the-c-elegans-embryo
#16
Abigail R Gerhold, Vincent Poupart, Jean-Claude Labbé, Paul S Maddox
The spindle assembly checkpoint (SAC) is a conserved mitotic regulator that preserves genome stability by monitoring kinetochore-microtubule attachments and blocking anaphase onset until chromosome bi-orientation is achieved. Despite its central role in maintaining mitotic fidelity, the ability of the SAC to delay mitotic exit in the presence of kinetochore-microtubule attachment defects (SAC "strength") appears to vary widely. How different cellular aspects drive this variation remains largely unknown...
April 24, 2018: Molecular Biology of the Cell
https://www.readbyqxmd.com/read/29670609/enhanced-replication-of-virulent-newcastle-disease-virus-in-chicken-macrophages-is-due-to-polarized-activation-of-cells-by-inhibition-of-tlr7
#17
Pingze Zhang, Zhuang Ding, Xinxin Liu, Yanyu Chen, Junjiao Li, Zhi Tao, Yidong Fei, Cong Xue, Jing Qian, Xueli Wang, Qingmei Li, Tobias Stoeger, Jianjun Chen, Yuhai Bi, Renfu Yin
Newcastle disease (ND), caused by infections with virulent strains of Newcastle disease virus (NDV), is one of the most important infectious disease affecting wild, peridomestic, and domestic birds worldwide. Vaccines constructed from live, low-virulence (lentogenic) viruses are the most accepted prevention and control strategies for combating ND in poultry across the globe. Avian macrophages are one of the first cell lines of defense against microbial infection, responding to signals in the microenvironment...
2018: Frontiers in Immunology
https://www.readbyqxmd.com/read/29667418/granulatosides-d-e-and-other-polar-steroid-compounds-from-the-starfish-choriaster-granulatus-their-immunomodulatory-activity-and-cytotoxicity
#18
Natalia V Ivanchina, Alla A Kicha, Timofey V Malyarenko, Sofiya D Ermolaeva, Ekaterina A Yurchenko, Evgeny A Pislyagin, Chau Van Minh, Pavel S Dmitrenok
Two new steroid glycosides, granulatosides D (1) and E (2), belonging to the group of bi- and monoglycosides of polyhydroxysteroids, respectively, were isolated from the ethanolic extract of the starfish Choriaster granulatus along with thirteen previously known glycosides of polyhydroxysteroids (3-15) and one steroid heptaol (16). The structures of the new compounds were elucidated by extensive NMR and ESIMS techniques. Cytotoxic and immunomodulatory activities of compounds 1, 3-8, and 10-16 using murine splenocytes and peritoneal macrophages were studied...
April 18, 2018: Natural Product Research
https://www.readbyqxmd.com/read/29643359/il23-and-tgf-%C3%A3-diminish-macrophage-associated-metastasis-in-pancreatic-carcinoma
#19
S Mazher Hussain, Leighton F Reed, Bradley A Krasnick, Gustavo Miranda-Carboni, Ryan C Fields, Ye Bi, Abul Elahi, Abidemi Ajidahun, Paxton V Dickson, Jeremiah L Deneve, William G Hawkins, David Shibata, Evan S Glazer
The precise role of tumor associated macrophages remains unclear in pancreatic ductal adenocarcinoma (PDAC) while TGF-ß has an unclear role in metastases formation. In order to understand the role of IL23, an interleukin associated with macrophage polarization, we investigated IL23 in the context of TGF-ß expression in PDAC. We hypothesized that IL23 expression is associated with metastatic development and survival in PDAC. We investigated IL23 and TGF-ß protein expression on resected PDAC patient tumor sections who were divided into short-term (<12 months) survivors and long-term (>30 months) survivors...
April 11, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29605747/sorption-mechanisms-of-chlorinated-hydrocarbons-on-biochar-produced-from-different-feedstocks-conclusions-from-single-and-bi-solute-experiments
#20
Inga J Schreiter, Wolfgang Schmidt, Christoph Schüth
Biochar is increasingly deemed a potential sorbent for contaminants in soil and water remediation. We tested three biochars from different feedstocks (cattle manure, grain husk, and wood chips) produced at relatively low pyrolysis temperature (450 °C), for their sorption behavior towards trichloroethylene (TCE) and tetrachloroethylene (PCE) in single- and bi-solute systems. In single-solute experiments, all biochars show stronger sorption for TCE (about 50% based on solubility-normalized Freundlich coefficients)...
March 26, 2018: Chemosphere
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