bluuebunny/crossref_metadata_2025 huggingface dataset:
A selective high affinity MYC-binding compound inhibits MYC:MAX interaction and MYC-dependent tumor cell proliferation
Authors: Castell Alina , Yan Qinzi , Fawkner Karin , Hydbring Per , Zhang Fan , Verschut Vasiliki , Franco Marcela , Zakaria Siti Mariam , Bazzar Wesam , Goodwin Jacob , Zinzalla Giovanna , Larsson Lars-Gunnar
Published: June 2018

MYC is a key player in tumor development, but unfortunately no specific MYC-targeting drugs are clinically available. MYC is strictly dependent on heterodimerization with MAX for transcription activation. Aiming at targeting this interaction, we identified MYCMI-6 in a cell-based protein interaction screen for small inhibitory molecules. MYCMI-6 exhibits strong selective inhibition of MYC:MAX interaction in cells and in vitro at single-digit micromolar concentrations, as validated by split Gaussia luciferase, in situ proximity ligation, microscale thermophoresis and surface plasmon resonance (SPR) assays. Further, MYCMI-6 blocks MYC-driven transcription and binds selectively to the MYC bHLHZip domain with a KD of 1.6 ± 0.5 μM as demonstrated by SPR. MYCMI-6 inhibits tumor cell growth in a MYC-dependent manner with IC50 concentrations as low as 0.5 μM, while sparing normal cells. The response to MYCMI-6 correlates with MYC expression based on data from 60 human tumor cell lines and is abrogated by MYC depletion. Further, it inhibits MYC:MAX interaction, reduces proliferation and induces massive apoptosis in tumor tissue from a MYC-driven xenograft tumor model without severe side effects. Since MYCMI-6 does not affect MYC expression, it is a unique molecular tool to specifically target MYC:MAX pharmacologically and it has good potential for drug development.
Group size effects on inter-blink interval as an indicator of antipredator vigilance in wild baboons
Authors: Matsumoto-Oda Akiko , Okamoto Kohei , Takahashi Kenta , Ohira Hideki
Published: June 2018

Vigilance in animals is an important means for predator detection. Animals living in groups reduce their predation risk as more individuals are present. In contrast to most other animals studied, many studies on primates do not support the prediction that individual vigilance will decline as group size increases. For animals to obtain visual information during vigilance behaviour, their eyes must be open. Therefore, if animals are able to perceive differential risk of predation, the inter-blink interval (eye-opening) should increase, and the blink duration (eye-closure) should decrease under higher predation risk. We tested this prediction by measuring inter-blink interval in wild anubis baboons (Papio anubis) in peripheral and centre individuals within a group, and between larger and smaller groups. We found that the inter-blink interval for young males, often located at the front edge of the group, was longer than that of adult males, adult females, and young females, often located in the center of the group, and that the inter-blink interval for adult males was longer when the group was smaller. These results suggest that inter-blink interval can be used as an indicator of primate vigilance toward predators.
Validation of Assaying Carcinoembryonic Antigen in Human Serum by Using Immunomagnetic Reduction
Authors: Wei Po-Li , Lee Long-Teng , Tseng Li-Ming , Huang Kai-Wen
Published: June 2018

Immunomagnetic reduction (IMR) is a method to assay biomolecules by utilizing antibody functionalized magnetic nanoparticles. For clinical validation, important analytic performances of assaying carcinoembryonic antigen (CEA) using IMR are characterized. Furthermore, IMR is applied to assay carcinoembryonic antigen (CEA) in human serum for clinical validation. A total of 118 healthy controls and 79 patients with colorectal cancer (CRC) are recruited in this study. For comparison, assays using chemiluminometric immunoassay (CLIA) are also done for quantizing CEA in these serum samples. The results reveal a high correlation in terms of serum CEA concentration detected via IMR and CLIA is found (r = 0.963). However, IMR shows higher clinical sensitivity and specificity than those of CLIA. Moreover, the rate of false positives for smoking subjects is clearly reduced through the use of IMR. All the results demonstrate IMR is a promising alternative assay for serum CEA to diagnose CRC.
Actin polymerization is activated by terahertz irradiation
Authors: Yamazaki Shota , Harata Masahiko , Idehara Toshitaka , Konagaya Keiji , Yokoyama Ginji , Hoshina Hiromichi , Ogawa Yuichi
Published: June 2018

Polymerization of monomeric actin into filaments has pivotal roles in cell motility, growth, differentiation, and gene expression. Therefore, techniques of manipulating actin polymerization, including actin-binding chemicals, have been developed for understanding and regulating multiple biological functions. Here, we demonstrate that irradiation with terahertz (THz) waves is a novel method of modulating actin polymerization. When actin polymerization reaction is performed under irradiation with 0.46 THz waves generated by a Gyrotron, actin polymerization was observed to be activated by monitoring the fluorescence of pyrene actin fluorophores. We also observed the number of actin filaments under a fluorescence microscope using the polymerized actin probe SiR-actin. The number of actin filaments was increased by 3.5-fold after THz irradiation for 20 min. When the THz irradiation was applied to a steady-state actin solution, in which elongation and depolymerization of actin filaments were equilibrated, increased actin polymerization was observed, suggesting that the THz irradiation activates actin polymerization, at least in the elongation process. These results suggest that THz waves could be applied for manipulating biomolecules and cells.
Changes in intestinal gene expression and microbiota composition during late pregnancy are mouse strain dependent
Authors: Elderman Marlies , Hugenholtz Floor , Belzer Clara , Boekschoten Mark , de Haan Bart , de Vos Paul , Faas Marijke
Published: June 2018

Hormones and placental factors are thought to underlie the maternal immunological changes during pregnancy. However, as several intestinal microbiota are linked to immune modulations, we hypothesized that the intestinal microbiota are altered during pregnancy in favor of species associated with pregnancy associated immune modulations. We studied the fecal microbiota composition (MITchip) and intestinal and peripheral immune cells (microarray and flow cytometry) in pregnant and non-pregnant C57BL/6 and BALB/c mice. Pregnancy influenced intestinal microbiota diversity and composition, however in a mouse strain dependent way. Pregnant BALB/c mice had, among others, a relative higher abundance of Lactobacillus paracasei et rel., Roseburia intestinalis et rel. and Eubacterium hallii et rel., as compared to non-pregnant BALB/c mice, while the microbiota composition in B6 mice hardly changed during pregnancy. Additionally, intestinal immunological pathways were changed during pregnancy, however again in a mouse strain dependent way. Correlations between various bacteria and immunological genes were observed. Our data do support a role for the microbiome in changing immune responses in pregnancy. However, other factors are also involved, such as for instance changes in SCFA or changes in sensitivity to bacteria, since although immunological changes are observed in B6 mice, hardly any changes in microbiota were found in this strain. Follow up studies are needed to study the exact relationship between these parameters.
Relationship between interleukin (IL)-6 and brain morphology in drug-naïve, first-episode major depressive disorder using surface-based morphometry
Authors: Kakeda Shingo , Watanabe Keita , Katsuki Asuka , Sugimoto Koichiro , Igata Natsuki , Ueda Issei , Igata Ryohei , Abe Osamu , Yoshimura Reiji , Korogi Yukunori
Published: June 2018

There is a growing body of evidence to support the involvement of proinflammatory cytokines in the pathophysiology of depression; however, no previous studies have examined the relationship between cytokines and the brain morphology of patients with major depressive disorder (MDD). We therefore evaluated the relationship between serum cytokine levels and cortical thinning during the first depressive episode in drug-naïve patients with MDD. We measured the serum cytokine levels (IL-1β, IL-6, IFN-γ, and TNFα), and whole-brain cortical thickness and hippocampal subfield volumes on brain magnetic resonance imaging (MRI) using surface-based morphometry in 40 patients with MDD and 47 healthy volunteers (controls). Only the serum IL-6 level was significantly higher in patients with MDD than in controls. The prefrontal cortex (PFC) thickness was significantly reduced in patients with MDD, and showed a significant inverse correlation with the serum IL-6 level. Although high serum IL-6 levels were correlated with reduced left subiculum and right CA1, CA3, CA4, GC-DG, subiculum, and whole hippocampus volumes, the presence or absence of MDD had no effect on the volume of any hippocampal subfields. Our results suggest that IL-6 may play a key role in the morphological changes in the PFC during the early stage of MDD.
Phospholipase D1 regulation of TNF-alpha protects against responses to LPS
Authors: Urbahn Marc-Andre , Kaup Sonja Charlotte , Reusswig Friedrich , Krüger Irena , Spelleken Martina , Jurk Kerstin , Klier Meike , Lang Philipp A. , Elvers Margitta
Published: June 2018

Sepsis is a systemic inflammatory disorder with organ dysfunction and represents the leading cause of mortality in non-coronary intensive care units. A key player in septic shock is Tumor Necrosis Factor-alpha (TNF-α). Phospholipase (PL)D1 is involved in the regulation of TNF-α upon ischemia/reperfusion injury in mice. In this study we analyzed the impact of PLD1 in the regulation of TNF-α, inflammation and organ damage in experimental sepsis. PLD1 deficiency increased survival of mice and decreased vital organ damage after LPS injections. Decreased TNF-α plasma levels and reduced migration of leukocytes and platelets into lungs was associated with reduced apoptosis in lung and liver tissue of PLD1 deficient mice. PLD1 deficient platelets contribute to preserved outcome after LPS-induced sepsis because platelets exhibit an integrin activation defect suggesting reduced platelet activation in PLD1 deficient mice. Furthermore, reduced thrombin generation of PLD1 deficient platelets might be responsible for reduced fibrin formation in lungs suggesting reduced disseminated intravascular coagulation (DIC). The analysis of Pld1fl/fl-PF4-Cre mice revealed that migration of neutrophils and cell apoptosis in septic animals is not due to platelet-mediated processes. The present study has identified PLD1 as a regulator of innate immunity that may be a new target to modulate sepsis.
Intradermal injection of low dose human regulatory T cells inhibits skin inflammation in a humanized mouse model
Authors: Landman Sija , de Oliveira Vivian L. , van Erp Piet E. J. , Fasse Esther , Bauland Stijn C. G. , Joosten Irma , Koenen Hans J. P. M.
Published: June 2018

Recent regulatory T cell (Treg) based clinical trials support their therapeutic potential in transplantation and auto-inflammatory diseases. However, large numbers of Treg are needed to accomplish therapeutic efficacy. Local injection at the site of inflammation (targeted delivery) may lower the numbers needed for therapy. We evaluated if local delivery of low numbers of human Treg by intradermal injection was able to prevent skin inflammation, using the humanized mouse huPBL-SCID-huSkin allograft model. A dose of only 1 × 105 freshly isolated, non expanded Treg injected intradermally in close proximity to the transplanted human skin prevented inflammation of the grafted tissue induced by 4 × 107 IP injected human allogeneic PBMCs, (ratio Treg:PBMC = 1:400), as indicated by the inhibition of epidermal thickening, sustained Keratin-10 expression, the absence of Keratin-16 up regulation and prevention of human CD3+ T cell influx. A concomitant reduction of human T cells was observed in lymph nodes and spleen of the mice. Injection of Treg at the contralateral side was also shown to inhibit skin inflammation, suggesting that the inflammatory response was regulated both locally and systemically. In conclusion, local application of Treg may be an attractive way to suppress inflammation in vivo without the need for prior ex vivo expansion.
Monitoring ratio of carbon to nitrogen (C/N) in wheat and barley leaves by using spectral slope features with branch-and-bound algorithm
Authors: Xu Xingang , Yang Guijun , Yang Xiaodong , Li Zhenhai , Feng Haikuan , Xu Bo , Zhao Xiaoqing
Published: June 2018

Ratio of carbon to nitrogen concentration (C/N) that can illuminate metabolic status of C and N in crop leaves is one valuable indicator for crop nutrient diagnosis. This study explored the feasibility of using spectral slope features from hyperspectral measurements with Branch-and-Bound (BB) algorithm to monitor leaf C/N in wheat and barley. Experimental data from barley in 2010 and wheat in 2012 were collected and used. The analyses prove that leaf C/N is closely related to leaf N concentration (LNC), which implies that it is feasible to apply spectral technology to monitor leaf C/N in that LNC may have been effectivly estimated by hyperspectral measurements. The results also show that many spectral slope features proposed in this study exhibit the significant correlations with leaf C/N. The best slope feature could evaluate changes of leaf C/N well, with R2 of 0.63 for wheat, 0.68 for barley and 0.65 for both species combined, respectively. using BB algorithm with input of optiaml four slope features can improve the accuracy of leaf C/N estimations with R2 over 0.81. It is concluded that using the spectral slope new features with BB method appears very promising and potential for remotely monitoring leaf C/N in crops.
Discovery of peptide probes to modulate oxytocin-type receptors of insects
Authors: Keov Peter , Liutkevičiūtė Zita , Hellinger Roland , Clark Richard J. , Gruber Christian W.
Published: June 2018

The oxytocin/vasopressin signalling system is conserved across the animal kingdom. In insects, the role of oxytocin-type (inotocin) neuropeptides has only been studied in locusts, beetles and ants, but their physiology continues to be poorly understood. One reason for this knowledge deficit is the lack of available research tools to complement functional genomics efforts. Consequently, ligands to probe insect inotocin receptors are essential. In this study, we sought to identify novel agonists and antagonists of the inotocin receptor from the representative model species Tribolium castaneum and Lasius niger. Drawing upon known ligands of the human receptors, we examined the pharmacology of the plant-derived cyclotide kalata B7 and the synthetic oxytocin analogue atosiban. Kalata B7 is a weak partial agonist of both inotocin receptors. This is the first reported direct interaction of cyclotides with an insect receptor, an observation that may explain their presumed role in herbivore defence. Furthermore, we discovered atosiban is an antagonist of the Tribolium receptor, which may provide a useful probe to investigate the functionality of inotocin signalling in beetles and related insect species. Our findings will enable further examination of insect inotocin receptor pharmacology and physiology, and may trigger studies to comprehend the interaction of plant cyclotides and insects.
The influence of meteorological factors on tuberculosis incidence in Southwest China from 2006 to 2015
Authors: Xiao Yuanyuan , He Limei , Chen Ying , Wang Qinying , Meng Qiong , Chang Wei , Xiong Lifen , Yu Zhen
Published: June 2018

The influence of meteorological determinants on tuberculosis (TB) incidence remains severely under-discussed, especially through the perspective of time series analysis. In the current study, we used a distributed lag nonlinear model (DLNM) to analyze a 10-year series of consecutive surveillance data. We found that, after effectively controlling for autocorrelation, the changes in meteorological factors related to temperature, humidity, wind and sunshine were significantly associated with subsequent fluctuations in TB incidence: average temperature was inversely associated with TB incidence at a lag period of 2 months; total precipitation and minimum relative humidity were also inversely associated with TB incidence at lag periods of 3 and 4 months, respectively; average wind velocity and total sunshine hours exhibited an instant rather than lagged influence on TB incidence. Our study results suggest that preceding meteorological factors may have a noticeable effect on future TB incidence; informed prevention and preparedness measures for TB can therefore be constructed on the basis of meteorological variations.
A low-cost and high-performance thin-film composite forward osmosis membrane based on an SPSU/PVC substrate
Authors: Zheng Ke , Zhou Shaoqi , Zhou Xuan
Published: June 2018

A low-cost sulfonated polysulfone (SPSU)/poly(vinyl chloride) (PVC) substrate based high-performance thin-film composite (TFC) forward osmosis (FO) membrane was fabricated in this work. The results showed that the morphologies of the substrates were looser and more porous, and the porosity, pure water permeability, surface hydrophilicity, and average pore size of the substrates significantly improved after the SPSU was introduced into the PVC substrates. Furthermore, the SPSU/PVC-based TFC membranes exhibited rougher, looser and less crosslinked polyamide active layers than the neat PVC-based TFC membrane. The water permeability obviously increased, and the structure parameter dramatically declined. Moreover, the FO performance significantly improved (e.g. the water flux of TFC2.5 reached 25.53/48.37 LMH under FO/PRO mode by using 1.0 M NaCl/DI water as the draw/feed solution, while the specific salt flux exhibited a low value of 0.10/0.09 g/L). According to the results, it can be concluded that 2.5% of SPSU was the optimal blend ratio, which exhibited the lowest sulfonated material blend ratio compared to the data reported in the literature. Hence, this is a feasible and low-cost fabrication approach for high-performance FO membrane by using the cheap PVC and low blend-ratio SPSU as the membrane materials.
Cold atmospheric plasma causes a calcium influx in melanoma cells triggering CAP-induced senescence
Authors: Schneider Christin , Gebhardt Lisa , Arndt Stephanie , Karrer Sigrid , Zimmermann Julia L. , Fischer Michael J. M. , Bosserhoff Anja-Katrin
Published: June 2018

Cold atmospheric plasma (CAP) is a promising approach in anti-cancer therapy, eliminating cancer cells with high selectivity. However, the molecular mechanisms of CAP action are poorly understood. In this study, we investigated CAP effects on calcium homeostasis in melanoma cells. We observed increased cytoplasmic calcium after CAP treatment, which also occurred in the absence of extracellular calcium, indicating the majority of the calcium increase originates from intracellular stores. Application of previously CAP-exposed extracellular solutions also induced cytoplasmic calcium elevations. A substantial fraction of this effect remained when the application was delayed for one hour, indicating the chemical stability of the activating agent(s). Addition of ryanodine and cyclosporin A indicate the involvement of the endoplasmatic reticulum and the mitochondria. Inhibition of the cytoplasmic calcium elevation by the intracellular chelator BAPTA blocked CAP-induced senescence. This finding helps to understand the molecular influence and the mode of action of CAP on tumor cells.
Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics
Authors: Nagy-Szakal Dorottya , Barupal Dinesh K. , Lee Bohyun , Che Xiaoyu , Williams Brent L. , Kahn Ellie J. R. , Ukaigwe Joy E. , Bateman Lucinda , Klimas Nancy G. , Komaroff Anthony L. , Levine Susan , Montoya Jose G. , Peterson Daniel L. , Levin Bruce , Hornig Mady , Fiehn Oliver , Lipkin W. Ian
Published: June 2018

The pathogenesis of ME/CFS, a disease characterized by fatigue, cognitive dysfunction, sleep disturbances, orthostatic intolerance, fever, irritable bowel syndrome (IBS), and lymphadenopathy, is poorly understood. We report biomarker discovery and topological analysis of plasma metabolomic, fecal bacterial metagenomic, and clinical data from 50 ME/CFS patients and 50 healthy controls. We confirm reports of altered plasma levels of choline, carnitine and complex lipid metabolites and demonstrate that patients with ME/CFS and IBS have increased plasma levels of ceramide. Integration of fecal metagenomic and plasma metabolomic data resulted in a stronger predictive model of ME/CFS (cross-validated AUC = 0.836) than either metagenomic (cross-validated AUC = 0.745) or metabolomic (cross-validated AUC = 0.820) analysis alone. Our findings may provide insights into the pathogenesis of ME/CFS and its subtypes and suggest pathways for the development of diagnostic and therapeutic strategies.
Overview of Gasotransmitters and the Related Signaling Network
Authors: Wang Rui
Published: June 2018

The first gasotransmitter, NO, was discovered in 1977. Twenty-five years later, the gasotransmitter family was conceptualized. It took another 15 years for the expansion of the gasotransmitter family to include NO, CO, H2S, and NH3. What are gasotransmitters? Why should we use this specific nomenclature? Why are gasotransmitters important in our body? These interesting questions are answered in detail in this chapter. Further discussions are elaborated to clarify the gasotransmitter signaling network in eukaryotes with a focus on four interaction nodes: the interaction of gasotransmitters with their producers, interaction of gasotransmitters with their users/targets, interaction of gasotransmitters with their sensors, and the interactions between gasotransmitters themselves. The high tide of gasotransmitter research has arrived and it is up to researchers to take advantage of such a rewarding surf odyssey.
Production of NO – The l-arginine/NOS/NO System
Authors: Paul B. D. , Snyder S. H.
Published: June 2018

Nitric oxide (NO) was the first molecule afforded the status of gasotransmitter or gaseous signaling molecule. The seminal work by Furchgott, Ignarro, and Murad established the vasoactive functions of NO as an endothelial-derived relaxation factor. This was followed by the identification and cloning of its biosynthetic enzymes and elucidation of its role as a signaling molecule both in peripheral tissues and in the brain, where it functions as a neurotransmitter. NO is synthesized endogenously from the amino acid arginine. In this chapter, we review the biogenesis of NO and its regulation at multiple levels.
Gasotransmitters in Plants
Authors: Pei Yanxi , Jin Zhuping , Liu Zhiqiang , Fang Huihui , Zhang Liping , Hao Xuefeng , Liu Danmei , Du Xinzhe , Zhang Yanjie , Tian Baohua , Ma Xiaoli
Published: June 2018

Over the past decade, the important and irreplaceable functions of gasotransmitters in mammalians have been identified. However, in plants, research has lagged behind, although it is now progressing. Nitric oxide, carbon monoxide, and hydrogen sulfide are recognized as gasotransmitters. In addition, methane and ammonia fulfill the criteria of gasotransmitters and should also be considered as candidates. Ethylene, a specific phytohormone, is an outstanding member of the gasotransmitter family owing to its importance, even though this conventional phytohormone has not been studied as a gasotransmitter. In this chapter, the endogenous production and physiological functions of these gasotransmitters and their interactions with other signals in plants are reviewed.
A fast and novel internal calibration method for quantitative Raman measurements on aqueous solutions
Authors: Duraipandian S. , Knopp M. M. , Pollard M. R. , Kerdoncuff H. , Petersen J. C. , Müllertz A.
Published: June 2018

Quantitative Raman spectroscopy despite the experimental parameter variations and overlapping solute and solvent Raman bands.
Energy landscape of polymorphic amyloid generation of β2-microglobulin revealed by calorimetry
Authors: Kinoshita Misaki , Lin Yuxi , Dai Itoh , Okumura Masaki , Markova Natalia , Ladbury John E. , Sterpone Fabio , Lee Young-Ho
Published: June 2018

ITC-based energy landscape provides a comprehensive understanding of amyloid aggregation in terms of thermodynamics and kinetics.
A robust 3D host for sodium metal anodes with excellent machinability and cycling stability
Authors: Xiong Wan-Sheng , Jiang Yun , Xia Yu , Qi Yuyang , Sun Weiwei , He Dan , Liu Yumin , Zhao Xing-Zhong
Published: June 2018

A robust and ultra-stable sodium infiltrated Fe2O3 coated carbon textile (SFCT) anode has been designed. This SFCT anode overcomes the disadvantage of Na electrodes, which is not easily processable, and exhibits more flat voltage profiles, lower stripping/plating overpotential, and better cycling stability in an additive-free carbonate-based electrolyte compared with bare Na electrodes.
Directed assembly of fullerene on modified Au(111) electrodes
Authors: Cai Zhen-Feng , Dong Wei-Long , Chen Ting , Yan Hui-Juan , Wang Dong , Xu Wei , Wan Li-Jun
Published: June 2018

Here we show a conceptual approach to realize the scanning tunneling microscopy based induced-assembly of fullerene (C60) molecules on top of a buffer organic adlayer at room temperature in a solution environment.
‘AND’-based fluorescence scaffold for the detection of ROS/RNS and a second analyte
Authors: Odyniec Maria L. , Sedgwick Adam C. , Swan Alexander H. , Weber Maria , Tang T. M. Simon , Gardiner Jordan E. , Zhang Miao , Jiang Yun-Bao , Kociok-Kohn Gabriele , Elmes Robert B. P. , Bull Steven D. , He Xiao-Peng , James Tony D.
Published: June 2018

A novel fluorescence-based scaffold was developed enabling the production of ‘AND’ based fluorescence probes – ROS/RNS and a second analyte.
A light-driven molecular machine based on stiff stilbene
Authors: Wang Yuan , Tian Yancong , Chen Yu-Zhe , Niu Li-Ya , Wu Li-Zhu , Tung Chen-Ho , Yang Qing-Zheng , Boulatov Roman
Published: June 2018

We report a new molecular design for optically triggered nm-scale translation of a submolecular component relative to another.
Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles
Authors: Weinberger Craig , Hines Rachel , Zeller Matthias , Rosokha Sergiy V.
Published: June 2018

The Br⋯N bonds in a series of halogen-bonded complexes change gradually from the typical intermolecular to the traditional covalent bond.
In silico study of Bombyx mori fibroin enhancement by graphene in acidic environment
Authors: Tran Duy Phuoc , Lam Vi Toan , Tran Tan Lien , Nguyen Thuy Nhu Son , Thi Tran Hanh Thu
Published: June 2018

Searching for the binding pose of fibroin N-terminal domain and graphene containing edges.
Ab initio design of light absorption through silver atomic cluster decoration of TiO2
Authors: de Lara-Castells María Pilar , Cabrillo Carlos , Micha David A. , Mitrushchenkov Alexander O. , Vazhappilly Tijo
Published: June 2018

This first-principles study reveals how stable subnanometer silver clusters on a TiO2(110) surface lead to the onset of absorption bands in the near-infrared and visible regions.
Preparation and reactivity of half-sandwich dioxygen complexes of ruthenium
Authors: Albertin Gabriele , Antoniutti Stefano , Bortoluzzi Marco , Castro Jesús , Ferraro Valentina
Published: June 2018

The preparation of dioxygen complexes [Ru(η5-C5Me5)(η2-O2){P(OR)3}L]BPh4 and their intramolecular oxygen transfer reaction in the presence of acid affording bis(phosphate) derivatives are described.
A novel color-tunable phosphor, Na5Gd9F32:Ln3+ (Ln = Eu, Tb, Dy, Sm, Ho) sub-microcrystals: structure, luminescence and energy transfer properties
Authors: Yang Junfeng , Dong Jianchao , Wu Ruiyang , Wu Hongyue , Song Hongbo , Gan Shucai , Zou Lianchun
Published: June 2018

Ln3+-Doped fluorides are economical and highly efficient luminescent materials, which play a crucial role in LEDs, biolabeling, and sensors.
Iron(ii) coordination polymer catalysed hydroboration of ketones
Authors: Li Li , Liu E , Cheng Jessica , Zhang Guoqi
Published: June 2018

Catalytic hydroboration of ketones with pinacolborane was achieved using a two-dimensional iron(ii) coordination polymer based on a divergent 4,2′;6′,4′′-terpyridine ligand.
Ab initio instanton rate theory made efficient using Gaussian process regression
Authors: Laude Gabriel , Calderini Danilo , Tew David P. , Richardson Jeremy O.
Published: June 2018

In this paper, we describe how we use Gaussian process regression to fit a local representation of the potential energy surface and thereby obtain the instanton rate using only a small number of ab initio calculations.
How to interpret absorption and fluorescence spectra of charge transfer states in an organic solar cell
Authors: Kahle Frank-Julian , Rudnick Alexander , Bässler Heinz , Köhler Anna
Published: June 2018

Energetic disorder is crucial to consistently model both absorption and photoluminescence spectra of charge transfer states in organic solar cells.
Reaction of carbonyl trinuclear clusters with 2,5-bis(2-thienyl)-1-phenyl-phosphole as a ligand: a new pathway to ruthenacyclopentadiene and cyclopentadienone ruthenium complexes
Authors: Otero Yomaira , Peña Deisy , Lescop Christophe , Ávila Edward , Arce Alejandro , Hissler Muriel , Réau Regis , Machado Rubén
Published: June 2018

A novel pathway for the formation of ruthenacyclopentadiene and cyclopentadienone ruthenium complexes is described.
Pyrenyl substituted 1,8-naphthalimide as a new material for weak efficiency-roll-off red OLEDs: a theoretical and experimental study
Authors: Bezvikonnyi Oleksandr , Gudeika Dalius , Volyniuk Dmytro , Grazulevicius Juozas V. , Bagdziunas Gintautas
Published: June 2018

On the basis of the theoretical calculations of semiconducting properties, a new derivative ImPy for red OLEDs has been developed.
4,4′,4′′-Triaminotriphenylamine-based porous polyimide as a visible-light-driven photocatalyst
Authors: Wang Qin , Zhang Jianling , Yu Yuyan , Dan Yi , Jiang Long
Published: June 2018

A novel polyimide photocatalyst was fabricated by a low-temperature condensation method and its photocatalytic mechanism was discussed.
High-rate potassium ion and sodium ion batteries by co-intercalation anodes and open framework cathodes
Authors: Moyer Kathleen , Donohue Jennifer , Ramanna Neha , Cohn Adam P. , Muralidharan Nitin , Eaves Janna , Pint Cary L.
Published: June 2018

A fast-charging full-cell battery design is demonstrated with ultrafast metal ion co-intercalation at the anode and fast ion diffusion through an open framework cathode to enable high power cycling with energy densities ∼100 W h kg−1.
An asymmetric graphene oxide film for developing moisture actuators
Authors: Qiu Yuanyou , Wang Mingti , Zhang Wenzheng , Liu Yangxiu , Li Yan Vivian , Pan Kai
Published: June 2018

A sole graphene oxide film with an asymmetric structure is used for developing moisture actuators.
Thermally stable core–shell Ni/nanorod-CeO2@SiO2 catalyst for partial oxidation of methane at high temperatures
Authors: Zhu Shaohong , Lian Xinyi , Fan Tingting , Chen Zhou , Dong Yunyun , Weng Weizheng , Yi Xiaodong , Fang Weiping
Published: June 2018

Core–shell Ni/nanorod-CeO2@SiO2 catalyst prepared by a microemulsion method shows high catalytic activity and good thermal stability for the partial oxidation of methane.
Perfluorocarbon-loaded polydopamine nanoparticles as ultrasound contrast agents
Authors: Xie Yijun , Wang James , Wang Zhao , Krug Kelsey A. , Rinehart Jeffrey D.
Published: June 2018

One-pot synthesis and functionalization of melanin-like polydopamine nanoparticles creates a tunable platform for new ultrasound contrast agents.
Hydrogen atom induced magnetic behaviors in two-dimensional materials: insight on origination in the model of α-MoO3
Authors: Zhang Junli , Fu Jiecai , Shi Fangyi , Peng Yong , Si Mingsu , Cavallo Luigi , Cao Zhen
Published: June 2018

Magnetic behaviors are successfully modulated in prototypical layered α-MoO3 nanostructures by doping H atoms and forming HxMoO3.
Variable segment roles: modulation of the packing modes, nanocrystal morphologies and optical emissions
Authors: Wang Sha-Sha , Rong Rong , Jin Ling-Zhi , Yang Shan-Shan , Li Yin-Xiang , Zhang He , Xiong Yu-Wei , Sun Li-Tao , Cao Hong-Tao , Xie Ling-Hai , Huang Wei
Published: June 2018

With variable segment roles, three isomers exhibited different packing modes, nanocrystal morphologies and photoluminescence properties.
Growth of boron nitride nanotubes from magnesium diboride catalysts
Authors: E Songfeng , Wu Liling , Li Chaowei , Zhu Zezhou , Long Xiaoyang , Geng Renjie , Zhang Jun , Li Zhenyu , Lu Weibang , Yao Yagang
Published: June 2018

MgB2 can serve as an efficient catalyst for BNNT growth because of satisfying the criteria for the VLS mechanisms.
A novel combined experimental and multiscale theoretical approach to unravel the structure of SiC/SiOx core/shell nanowires for their optimal design
Authors: Morresi Tommaso , Timpel Melanie , Pedrielli Andrea , Garberoglio Giovanni , Tatti Roberta , Verucchi Roberto , Pasquali Luca , Pugno Nicola Maria , Nardi Marco Vittorio , Taioli Simone
Published: June 2018

A realistic model of SiC/SiOx core/shell nanowires to reproduce XAS spectra.
Mechanics of cellular packing of nanorods with finite and non-uniform diameters
Authors: Yi Xin , Zou Guijin , Gao Huajian
Published: June 2018

Theoretical modeling and MD simulations demonstrate that the diameter, length, and shape of an encapsulated nanorod together play key roles in regulating its mechanical interplay with the confining vesicle, shedding light on the cellular packing of microtubule bundles, filopodial protrusion, mitotic cell division, and cytotoxicity.
Evaluation of topologically distinct constrained antimicrobial peptides with broad-spectrum antimicrobial activity
Authors: Yuan Fang , Tian Yuan , Qin Weirong , Li Jingxu , Yang Dan , Zhao Bingchuan , Yin Feng , Li Zigang
Published: June 2018

Conformationally constrained peptides with either α-helical or β-hairpin conformations, possessing different topological distribution of hydrophobic and hydrophilic residues, displayed distinct anti-microbial activity towards Gram positive and Gram negative bacteria and fungi.
Hydrogels with novel hydrolytically labile trehalose-based crosslinks: small changes – big differences in degradation behavior
Authors: Burek Małgorzata , Waśkiewicz Sylwia , Lalik Anna , Wandzik Ilona
Published: June 2018

Novel crosslinkers based on trehalose diacetals were synthesized and applied to the fabrication of degradable polyacrylamide-type hydrogels with pH-dependent degradation characteristics at around physiological pH.
Silicate silver/flower-like magnalium hydroxide composites for enhanced visible light photodegradation activities
Authors: Wang Yongyou , Jing Yaqiong , Li Wenxue , Yu Ming , Ao Xianquan , Xie Yan , Chen Qianlin
Published: June 2018

Flower-like magnalium layered composites (MgAl-LDH) were first fabricated by a hydrothermal method, and a series of AgSiOx/MgAl-LDH composites with different mole ratios was successfully prepared by loading AgSiOx on the MgAl-LDH surface.
Stoichiometric analysis of competing intermolecular hydrogen bonds using infrared spectroscopy
Authors: Ryu Ian Seungwan , Liu Xiaohui , Jin Ying , Sun Jirun , Lee Young Jong
Published: June 2018

Stoichiometric analysis of infrared spectra from UDMA and TEG-DVBE mixtures provides quantitative information on competing hydrogen bonds and intermolecular interactions in equilibrium.
Characteristics of a CaSO4 composite oxygen carrier supported with an active material for in situ gasification chemical looping combustion of coal
Authors: Liu Yongzhuo , Gao Minggang , Zhang Xintao , Hu Xiude , Guo Qingjie
Published: June 2018

The upgraded CaSO4/clay composite oxygen carrier possessed high physicochemical stability and an oxygen transport capacity of 14.1 wt%.
Preparation of fluorinated graphene to study its gas sensitivity
Authors: Kang Wenze , Li Shangyi
Published: June 2018

In this paper, fluorinated graphene was prepared from graphite fluoride by an improved Hummers method. Moreover, the gas sensitivity of fluorinated graphene has been researched.
Removal of acenaphthene from water by Triton X-100-facilitated biochar-immobilized Pseudomonas aeruginosa
Authors: Lu Li , Li Anan , Ji Xueqin , Yang Chunping , He Shanying
Published: June 2018

A new efficient PAH-degrading bacterial material was produced by using biochar as an immobilization carrier and adding nonionic surfactant.
Adsorption of aniline from aqueous solution using graphene oxide-modified attapulgite composites
Authors: Deng Qiulin , Chen Chong , Lei Qin , Liang Jianhao , Zhang Tinghong , Jiang Jinlong
Published: June 2018

Adsorption is an efficient treatment method for aniline removal in water treatment.
Hydrogel microfibers with perfusable folded channels for tissue constructs with folded morphology
Authors: Liu Yupeng , Xu Peidi , Liang Zhe , Xie Ruoxiao , Ding Mingyu , Liu Hongxia , Liang Qionglin
Published: June 2018

Perfusable microfibers with folded channels are generated to fabricate small intestine and skeletal muscle constructs for tissue engineering.
TAK1 inhibition by natural cyclopeptide RA-V promotes apoptosis and inhibits protective autophagy in Kras-dependent non-small-cell lung carcinoma cells
Authors: Yang Jianhong , Yang Tao , Yan Wei , Li Dan , Wang Fang , Wang Zhe , Guo Yingjie , Bai Peng , Tan Ninghua , Chen Lijuan
Published: June 2018

TAK1 kinase is required for the survival of Kras-dependent non-small-cell lung carcinoma (NSCLC) cells.
Modular O2 electroreduction activity in triphenylene-based metal–organic frameworks
Authors: Miner Elise M. , Wang Lu , Dincă Mircea
Published: June 2018

Electrically conductive layered metal–organic frameworks, regardless of the metal or chelating atom identity, exhibit phase-dependent catalytic activity for O2 electroreduction.
Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N2O reduction
Authors: Hartmann Nathaniel J. , Wu Guang , Hayton Trevor W.
Published: June 2018

The “masked” terminal nickel sulfide [K(18-crown-6)][LtBuNiII(S)] mediates the reduction of N2O by CO, via the thioperoxide complex [K(18-crown-6)][LtBuNiII(η2-SO)].
Transition metal speciation as a degradation mechanism with the formation of a solid-electrolyte interphase (SEI) in Ni-rich transition metal oxide cathodes
Authors: Kim Taehoon , Ono Luis K. , Fleck Nicole , Raga Sonia R. , Qi Yabing
Published: June 2018

This work reveals the different nature of SEI layers at various cut-off voltage levels with transition metal speciation as a degradation mechanism.
Detoxication mechanisms of Radix Tripterygium wilfordii via compatibility with Herba Lysimachia christinae in S180-bearing mice by involving Nrf2
Authors: Wang Jun-Ming , Cai Hong , Li Jin-Hua , Chen Rong-Xing , Zhang Yue-Yue , Li Jin-Yang , Ding Ning-Ning , Liu Chen , Cui Ying
Published: June 2018

The combined administration between Radix Tripterygium wilfordii Hook F (LGT) and Herba Lysimachia christinae Hance (JQC) belongs to mutual detoxication compatibility of seven emotions in traditional Chinese medicine (TCM) theory. However, until now, the compatibility detoxication mechanisms remain unknown. The present study was undertaken to observe detoxication mechanisms of LGT through compatibility with JQC in tumor-bearing mice by involving NF-E2-related factor 2 (Nrf2)-mediated antioxidant defenses. In addition, influence of compatibility on antitumor activity was also investigated here. Our results demonstrated that compatibility with JQC administration significantly reversed LGT-elevated serum alanine/aspartate transaminase (ALT/AST) levels and alleviated hepatocytes’ swelling or degeneration damage, and at the ratio 2/1 (LGT/JQC) produced the strongest detoxication effect. Besides, compatibility with JQC administration reversed not only LGT-elevated hepatic malondialdehyde (MDA) and tumor necrosis factor-α (TNF-α) but also the LGT lowered GSH, glutathione-s transferase (GST), glutathione peroxidase (GPx), superoxide dismutase (SOD), catalase (CAT), and interleukin (IL)-10 levels. Furthermore, compatibility with JQC administration significantly up-regulated protein expression of Nrf2 and mRNA expression of it regulated downstream antioxidant genes such as heme oxygenase-1 (HO-1), NAD(P)H: quinone oxidoreductase-1 (NQO1), and glutamate cysteine ligase catalytic subunit (GCLC). In addition, compatibility with JQC further decreased LGT-decreased tumor weight and at the ratio 2/1 (LGT/JQC) also exerted the strongest synergistic effect. Collectively, through compatibility with JQC exerted detoxication effect on LGT-induced hepatotoxicity and the mechanisms could be at least partly attributed to up-regulation of Nrf2 and its downstream signals, thereby enhancing antioxidant defenses, and inhibiting lipid peroxidation, oxidative stress, and inflammation. Additionally, at the ratio 2/1 (LGT/JQC) exerted the strongest effects on both detoxication and synergism.
Advances in methods for reducing mitochondrial DNA disease by replacing or manipulating the mitochondrial genome
Authors: Rai Pavandeep K. , Craven Lyndsey , Hoogewijs Kurt , Russell Oliver M. , Lightowlers Robert N.
Published: June 2018

Mitochondrial DNA (mtDNA) is a multi-copy genome whose cell copy number varies depending on tissue type. Mutations in mtDNA can cause a wide spectrum of diseases. Mutated mtDNA is often found as a subset of the total mtDNA population in a cell or tissue, a situation known as heteroplasmy. As mitochondrial dysfunction only presents after a certain level of heteroplasmy has been acquired, ways to artificially reduce or replace the mutated species have been attempted. This review addresses recent approaches and advances in this field, focusing on the prevention of pathogenic mtDNA transfer via mitochondrial donation techniques such as maternal spindle transfer and pronuclear transfer in which mutated mtDNA in the oocyte or fertilized embryo is substituted with normal copies of the mitochondrial genome. This review also discusses the molecular targeting and cleavage of pathogenic mtDNA to shift heteroplasmy using antigenomic therapy and genome engineering techniques including Zinc-finger nucleases and transcription activator-like effector nucleases. Finally, it considers CRISPR technology and the unique difficulties that mitochondrial genome editing presents.
Resolving the hydrostatic mass profiles of galaxy clusters at z ∼ 1 with XMM-Newton and Chandra
Authors: Bartalucci I. , Arnaud M. , Pratt G.W. , Le Brun A. M. C.
Published: June 2018

We present a detailed study of the integrated total hydrostatic mass profiles of the five most massive M500SZ < 5 × 1014 M⊙ galaxy clusters selected at z ∼ 1 via the Sunyaev–Zel’dovich effect. These objects represent an ideal laboratory to test structure formation models where the primary driver is gravity. Optimally exploiting spatially-resolved spectroscopic information from XMM-Newton and Chandra observations, we used both parametric (forward, backward) and non-parametric methods to recover the mass profiles, finding that the results are extremely robust when density and temperature measurements are both available. Our X-ray masses at R500 are higher than the weak lensing masses obtained from the Hubble Space Telescope (HST), with a mean ratio of 1.39−0.35+0.47. This offset goes in the opposite direction to that expected in a scenario where the hydrostatic method yields a biased, underestimated, mass. We investigated halo shape parameters such as sparsity and concentration, and compared to local X-ray selected clusters, finding hints for evolution in the central regions (or for selection effects). The total baryonic content is in agreement with the cosmic value at R500. Comparison with numerical simulations shows that the mass distribution and concentration are in line with expectations. These results illustrate the power of X-ray observations to probe the statistical properties of the gas and total mass profiles in this high mass, high-redshift regime.
X-ray study of the double radio relic Abell 3376 with Suzaku
Authors: Urdampilleta I. , Akamatsu H. , Mernier F. , Kaastra J. S. , de Plaa J. , Ohashi T. , Ishisaki Y. , Kawahara H.
Published: June 2018

We present an X-ray spectral analysis of the nearby double radio relic merging cluster Abell 3376 (z = 0.046), observed with the Suzaku XIS instrument. These deep (∼360 ks) observations cover the entire double relic region in the outskirts of the cluster. These diffuse radio structures are amongst the largest and arc-shaped relics observed in combination with large-scale X-ray shocks in a merging cluster. We confirm the presence of a stronger shock (ℳW = 2.8 ± 0.4) in the western direction at r ∼ 26′, derived from a temperature and surface brightness discontinuity across the radio relic. In the east, we detect a weaker shock (ℳE = 1.5 ± 0.1) at r ∼ 8′, possibly associated with the “notch” of the eastern relic, and a cold front at r ∼ 3′. Based on the shock speed calculated from the Mach numbers, we estimate that the dynamical age of the shock front is ∼0.6 Gyr after core passage, indicating that Abell 3376 is still an evolving merging cluster and that the merger is taking place close to the plane of the sky. These results are consistent with simulations and optical and weak lensing studies from the literature.
Color gradients reflect an inside-out growth in early-type galaxies of the cluster MACS J1206.2-0847
Authors: Marian V. , Ziegler B. , Kuchner U. , Verdugo M.
Published: June 2018

Aims. Color gradients of galaxies are a powerful tool for resolving the variations of stellar populations within galaxies. We use this approach to explore the evolution of early-type galaxies in the core of the massive galaxy cluster MACS J1206.2-0847 at z = 0.44.

Methods. We used imaging data in 12 filters (covering a wavelength range from 400 to 1600 nm) from the Hubble Space Telescope provided by the CLASH survey, as well as additional spectral information from its follow-up program, CLASH-VLT. We performed multiwavelength optimized model fitting using Galapagos-2 from the MegaMorph project to measure their photometric parameters (total integrated magnitudes, effective radii re, and Sérsic indices n). We used them to derive color gradients for the colors g475 − I814, r625 − Y105, I814 − H160, and Y105 − H160 at radii ranging between 0.1 and 2re for 79 early-type cluster galaxies. From synthetic spectral models that use simple star formation recipes, we inferred ages and metallicities of the stellar population at different locations within each galaxy and characterized their influence on the radial color trends.

Results. Early-type galaxies show a substantial decrease in effective radii re with wavelength. We measure that galaxy sizes are ~25% smaller in the red H160 filter than in the blue r625 filter but maintain a constant (within 3σ) Sérsic index n with wavelength. We find negative color gradients in all colors with slopes ranging between −0.07 and −0.17 mag dex−1 and with no obvious dependence on total magnitude, stellar mass, or location inside the cluster core. We explain the observed radial trends of color gradients as a result of the ages and metallicities of the respective stellar populations. Red galaxy cores are typically ~3 Gyr older and more enriched in metals than the galaxy outskirts, which are of solar metallicity.

Conclusions. Our results support the predictions from hydrodynamical cosmological simulations, which describe a passive evolution combined with an inside-out-growth of early-type galaxies. In this scenario, galaxies assemble their stellar mass primarily in the outskirts through the accretion of mass-poor satellites and thus manifest the observed trends of color-, metallicity- and age gradients.