bluuebunny/crossref_metadata_2025 huggingface dataset:
Sulforaphane, a natural component of broccoli, inhibits vestibular schwannoma growth in vitro and in vivo
Authors: Kim Bo Gyung , Fujita Takeshi , Stankovic Konstantina M. , Welling D. Bradley , Moon In Seok , Choi Jae Young , Yun Jieun , Kang Jong Soon , Lee Jong Dae
Published: November 2016

Vestibular schwannoma (VS) is an intracranial tumor that causes significant morbidity, including hearing loss, tinnitus, dizziness, and possibly even death from brainstem compression. However, FDA-approved pharmacologic treatments for VS do not exist. Sulforaphane (SFN) is a naturally occurring isothiocyanate found in cruciferous vegetables, such as broccoli, with potent chemoprotective effects in several cell types. Our objective was to determine whether SFN is effective against VS in vitro and in vivo. Human primary VS cells, HEI-193 schwannoma cells, and SC4 Nf2−/− Schwann cells were used to investigate the inhibitory effects of SFN in vitro. Cell proliferation was assessed by bromodeoxyuridine (BrdU) incorporation, and cell viability and metabolic activity was calculated by MTT assay. Apoptosis was measured by flow cytometry, terminal deoxynucleotidyl transferase-mediated dUTP nick end labeling (TUNEL) staining, and Western blot for cleaved caspases. A mouse model with a murine schwannoma allograft was also used to examine the antitumor activity of SFN. SFN exhibited significant antiproliferative activity in schwannoma cells in vitro, via the inhibition of HDAC activity and the activation of ERK. SFN treatment induced apoptosis and cell cycle arrest at the G2/M phase. SFN also significantly inhibited schwannoma growth in vivo. Our preclinical studies motivate a future prospective clinical study of SFN for the treatment of VS.
Derepressing muscleblind expression by miRNA sponges ameliorates myotonic dystrophy-like phenotypes in Drosophila
Authors: Cerro-Herreros Estefania , Fernandez-Costa Juan M. , Sabater-Arcis María , Llamusi Beatriz , Artero Ruben
Published: November 2016

Myotonic Dystrophy type 1 (DM1) originates from alleles of the DMPK gene with hundreds of extra CTG repeats in the 3′ untranslated region (3′ UTR). CUG repeat RNAs accumulate in foci that sequester Muscleblind-like (MBNL) proteins away from their functional target transcripts. Endogenous upregulation of MBNL proteins is, thus, a potential therapeutic approach to DM1. Here we identify two miRNAs, dme-miR-277 and dme-miR-304, that differentially regulate muscleblind RNA isoforms in miRNA sensor constructs. We also show that their sequestration by sponge constructs derepresses endogenous muscleblind not only in a wild type background but also in a DM1 Drosophila model expressing non-coding CUG trinucleotide repeats throughout the musculature. Enhanced muscleblind expression resulted in significant rescue of pathological phenotypes, including reversal of several mis-splicing events and reduced muscle atrophy in DM1 adult flies. Rescued flies had improved muscle function in climbing and flight assays, and had longer lifespan compared to disease controls. These studies provide proof of concept for a similar potentially therapeutic approach to DM1 in humans.
Interaction of benzo[a]pyrene diol epoxide isomers with human serum albumin: Site specific characterisation of adducts and associated kinetics
Authors: Motwani Hitesh V. , Westberg Emelie , Törnqvist Margareta
Published: November 2016

Carcinogenicity of benzo[a]pyrene {B[a]P, a polycyclic aromatic hydrocarbon (PAH)} involves DNA-modification by B[a]P diol epoxide (BPDE) metabolites. Adducts to serum albumin (SA) are not repaired, unlike DNA adducts, and therefore considered advantageous in assessment of in vivo dose of BPDEs. In the present work, kinetic experiments were performed in relation to the dose (i.e. concentration over time) of different BPDE isomers, where human SA (hSA) was incubated with respective BPDEs under physiological conditions. A liquid chromatography (LC) tandem mass spectrometry methodology was employed for characterising respective BPDE-adducts at histidine and lysine. This strategy allowed to structurally distinguish between the adducts from racemic anti- and syn-BPDE and between (+)- and (−)-anti-BPDE, which has not been attained earlier. The adduct levels quantified by LC-UV and the estimated rate of disappearance of BPDEs in presence of hSA gave an insight into the reactivity of the diol epoxides towards the N-sites on SA. The structure specific method and dosimetry described in this work could be used for accurate estimation of in vivo dose of the BPDEs following exposure to B[a]P, primarily in dose response studies of genotoxicity, e.g. in mice, to aid in quantitative risk assessment of PAHs.
Pressure-Driven Spin Crossover Involving Polyhedral Transformation in Layered Perovskite Cobalt Oxyfluoride
Authors: Tsujimoto Yoshihiro , Nakano Satoshi , Ishimatsu Naoki , Mizumaki Masaichiro , Kawamura Naomi , Kawakami Takateru , Matsushita Yoshitaka , Yamaura Kazunari
Published: November 2016

We report a novel pressure-driven spin crossover in layered cobalt oxyfluoride Sr2CoO3F with a distorted CoO5square pyramid loosely bound with a fluoride ion. Upon increasing pressure, the spin state of the Co(III) cation gradually changes from a high spin state (S = 2) to a low spin state (S = 0) accompanied by a anomalously large volume contraction (bulk modulus, 76.8(5) GPa). The spin state change occurs on the CoO5pyramid in a wide pressure range, but the concomitant gradual shrinkage of the Co–F bond length with pressure gives rise to a polyhedral transformation to the CoO5F octahedron without a structural phase transition, leading to the full conversion to the LS state at 12 GPa. The present results provide new effective strategy to fine-tune electronic properties of mixed anion systems by controlling the covalency in metal-ligand bonds under pressure.
Distinct sets of locomotor modules control the speed and modes of human locomotion
Authors: Yokoyama Hikaru , Ogawa Tetsuya , Kawashima Noritaka , Shinya Masahiro , Nakazawa Kimitaka
Published: November 2016

Although recent vertebrate studies have revealed that different spinal networks are recruited in locomotor mode- and speed-dependent manners, it is unknown whether humans share similar neural mechanisms. Here, we tested whether speed- and mode-dependence in the recruitment of human locomotor networks exists or not by statistically extracting locomotor networks. From electromyographic activity during walking and running over a wide speed range, locomotor modules generating basic patterns of muscle activities were extracted using non-negative matrix factorization. The results showed that the number of modules changed depending on the modes and speeds. Different combinations of modules were extracted during walking and running, and at different speeds even during the same locomotor mode. These results strongly suggest that, in humans, different spinal locomotor networks are recruited while walking and running, and even in the same locomotor mode different networks are probably recruited at different speeds.
Pollutant-induced cell death and reactive oxygen species accumulation in the aerial roots of Chinese banyan (Ficus microcarpa)
Authors: Liu Nan , Cao Ce , Sun Zhongyu , Lin Zhifang , Deng Rufang
Published: November 2016

Industrial pollutants induce the production of toxic reactive oxygen species (ROS) such as O2.−, H2O2, and ·OH in plants, but they have not been well quantified or localized in tissues and cells. This study evaluated the pollutant- (HSO3−, NH4NO3, Al3+, Zn2+, and Fe2+) induced toxic effects of ROS on the aerial roots of Chinese banyan (Ficus microcarpa). Root cell viability was greatly reduced by treatment with 20 mM NaHSO3, 20 mM NH4NO3, 0.2 mM AlCl3, 0.2 mM ZnSO4, or 0.2 mM FeSO4. Biochemical assay and histochemical localization showed that O2.− accumulated in roots in response to pollutants, except that the staining of O2.− under NaHSO3 treatment was not detective. Cytochemical localization further indicated that the generated O2.− was present mainly in the root cortex, and pith cells, especially in NH4NO3- and FeSO4-treated roots. The pollutants also caused greatly accumulated H2O2 and ·OH in aerial roots, which finally resulted in lipid peroxidation as indicated by increased malondialdehyde contents. We conclude that the F. microcarpa aerial roots are sensitive to pollutant-induced ROS and that the histochemical localization of O2.− via nitrotetrazolium blue chloride staining is not effective for detecting the effects of HSO3− treatment because of the treatment’s bleaching effect.
Elaborately Tuning Intramolecular Electron Transfer Through Varying Oligoacene Linkers in the Bis(diarylamino) Systems
Authors: Zhang Jing , Chen Zhao , Yang Lan , Pan Fang-Fang , Yu Guang-Ao , Yin Jun , Liu Sheng Hua
Published: November 2016

The research efforts on oligoacene systems are still relatively limited mainly due to the synthetic challenge and the extreme instability of longer acenes. Herein, these two issues have been overcome through elaborative modification and the stable pentacene species has been successfully synthesized. Additionally, a series of bis(diarylamino) compounds linked by variable-length oligoacene bridges ranging from one to five fused rings (benzene (1a), naphthalene (1b), anthracene (1c), tetracene (1d) and pentacene (1e)) have been prepared to probe the effect of the extent of π-conjugation on the electron transfer properties. Compound 1c exhibits a high planarity between the anthracyl bridge and the two nitrogen cores and the molecular packing shows a two-dimensional herringbone characteristic. Combined studies based on electrochemistry and spectroelectrochemistry demonstrate that (i) the electronic coupling across the oligoacene linkers between two diarylamine termini exponentially decrease with a moderate attenuation constant (β) of 0.14 Å−1 in these length-modulated systems and (ii) the associated radical cations [1a]+–[1e]+ are classified as the class II Robin–Day mixed-valence systems. Furthermore, density functional theory (DFT) calculations have been conducted to gain insight into the nature of electron transfer processes in these oligoacene systems.
Hexafluoroisopropyl alcohol mediated synthesis of 2,3-dihydro-4H-pyrido[1,2-a]pyrimidin-4-ones
Authors: Alam Mohammad A. , Alsharif Zakeyah , Alkhattabi Hessa , Jones Derika , Delancey Evan , Gottsponer Adam , Yang Tianhong
Published: November 2016

An efficient synthesis of novel 2,3-dihydro-4H-pyrido[1,2-a]pyrimidin-4-ones has been reported. Inexpensive and readily available substrates, environmentally benign reaction condition, and product formation up to quantitative yield are the key features of this methodology. Products are formed by the aza-Michael addition followed by intramolecular acyl substitution in a domino process. The polar nature and strong hydrogen bond donor capability of 1,1,1,3,3,3-hexafluoropropan-2-ol is pivotal in this cascade protocol.
Rapid gamma oscillations in the inferior occipital gyrus in response to eyes
Authors: Sato Wataru , Kochiyama Takanori , Uono Shota , Matsuda Kazumi , Usui Keiko , Usui Naotaka , Inoue Yushi , Toichi Motomi
Published: November 2016

Eyes are an indispensable communication medium for human social interactions. Although previous neuroscientific evidence suggests the activation of the inferior occipital gyrus (IOG) during eye processing, the temporal profile of this activation remains unclear. To investigate this issue, we analyzed intracranial electroencephalograms of the IOG during the presentation of eyes and mosaics, in either averted or straight directions. Time–frequency statistical parametric mapping analyses revealed greater gamma-band activation in the right IOG beginning at 114 ms in response to eyes relative to mosaics, irrespective of their averted or straight direction. These results suggest that gamma oscillations in the right IOG are involved in the early stages of eye processing, such as eye detection.
Demonstration of Temperature Dependent Energy Migration in Dual-Mode YVO4: Ho3+/Yb3+ Nanocrystals for Low Temperature Thermometry
Authors: Kumar Mahata Manoj , Koppe Tristan , Kumar Kaushal , Hofsäss Hans , Vetter Ulrich
Published: November 2016

A dual mode rare-earth based vanadate material (YVO4: Ho3+/Yb3+), prepared through ethylene glycol assisted hydrothermal method, demonstrating both downconversion and upconversion, along with systematic investigation of the luminescence spectroscopy within 12–300 K is presented herein. The energy transfer processes have been explored via steady-state and time-resolved spectroscopic measurements and explained in terms of rate equation description and temporal evolution below room temperature. The maximum time for energy migration from host to rare earth (Ho3+) increases (0.157 μs to 0.514 μs) with the material’s temperature decreasing from 300 K to 12 K. The mechanism responsible for variation of the transients’ character is discussed through thermalization and non-radiative transitions in the system. More significantly, the temperature of the nanocrystals was determined using not only the thermally equilibrated radiative intra-4f transitions of Ho3+ but also the decay time and rise time of vanadate and Ho3+ energy levels. Our studies show that the material is highly suitable for temperature sensing below room temperature. The maximum relative sensor sensitivity using the rise time of Ho3+ energy level (5F4/5S2) is 1.35% K−1, which is the highest among the known sensitivities for luminescence based thermal probes.
Harmine Induces Adipocyte Thermogenesis through RAC1-MEK-ERK-CHD4 Axis
Authors: Nie Tao , Hui Xiaoyan , Mao Liufeng , Nie Baoming , Li Kuai , Sun Wei , Gao Xuefei , Tang Xiaofeng , Xu Yong , Jiang Baishan , Tu Zhengcao , Li Peng , Ding Ke , Han Weiping , Zhang Shaoping , Xu Aimin , Ding Sheng , Liu Pentao , Patterson Adam , Cooper Garth , Wu Donghai
Published: November 2016

Harmine is a natural compound possessing insulin-sensitizing effect in db/db diabetic mice. However its effect on adipose tissue browning is unknown. Here we reveal that harmine antagonizes high fat diet-induced adiposity. Harmine-treated mice gained less weight on a high fat diet and displayed increased energy expenditure and adipose tissue thermogenesis. In vitro, harmine potently induced the expression of thermogenic genes in both brown and white adipocytes, which was largely abolished by inhibition of RAC1/MEK/ERK pathway. Post-transcriptional modification analysis revealed that chromodomain helicase DNA binding protein 4 (CHD4) is a potential downstream target of harmine-mediated ERK activation. CHD4 directly binds the proximal promoter region of Ucp1, which is displaced upon treatment of harmine, thereby serving as a negative modulator of Ucp1. Thus, here we reveal a new application of harmine in combating obesity via this off-target effect in adipocytes.
Tooth demineralization and associated factors in patients on fixed orthodontic treatment
Authors: Salmerón-Valdés Elías Nahúm , Lara-Carrillo Edith , Medina-Solís Carlo Eduardo , Robles-Bermeo Norma Leticia , Scougall-Vilchis Rogelio José , Casanova-Rosado Juan Fernando , Pontigo-Loyola América Patricia , Fernández Barrera Miguel Ángel
Published: November 2016

Dental demineralization was determined in patients at three time points during fixed orthodontic treatment. A multiple cross-sectional study included 108 patients divided into three different groups: (1) beginning of orthodontic treatment; (2) one year into treatment; and (3) two years into treatment. Demineralization was estimated using a DIAGNOdent pen. We obtained data from multiple tooth-by-tooth demineralization readings combined with salivary pH and patients’ oral hygienic and dietary behaviors. A t-test for independent samples and Spearman´s correlation were performed. No demineralizations differences were found between the initial stage and one year into treatment. Between one and two years small differences were observed, but demineralization increased between the initial stage and second treatment year, predominating in upper right central incisors (p = 0.056), upper left lateral incisors (p = 0.040), both upper canines (p = 0.055 and p = 0.040, respectively) and first left premolars (p = 0.034 and p = 0.053, respectively). We did not find associations between oral hygiene and dietary behaviours or salivary pH. In conclusion, demineralization occurred in first year of treatment and increased during second year, predominating in the upper arch and the left side mainly in upper right central incisors, upper left lateral incisors, both upper canines, and first left premolars.
Determination of the band parameters of bulk 2H-MX2 (M = Mo, W; X = S, Se) by angle-resolved photoemission spectroscopy
Authors: Kim Beom Seo , Rhim Jun-Won , Kim Beomyoung , Kim Changyoung , Park Seung Ryong
Published: November 2016

Monolayer MX2 (M = Mo, W; X = S, Se) has recently been drawn much attention due to their application possibility as well as the novel valley physics. On the other hand, it is also important to understand the electronic structures of bulk MX2 for material applications since it is very challenging to grow large size uniform and sustainable monolayer MX2. We performed angle-resolved photoemission spectroscopy and tight binding calculations to investigate the electronic structures of bulk 2H-MX2. We could extract all the important electronic band parameters for bulk 2H-MX2, including the band gap, direct band gap size at K (-K) point and spin splitting size. Upon comparing the parameters for bulk 2H-MX2 (our work) with mono- and multi-layer MX2 (published), we found that stacked layers, substrates for thin films, and carrier concentration significantly affect the parameters, especially the band gap size. The origin of such effect is discussed in terms of the screening effect.
Intraepithelial dendritic cells and sensory nerves are structurally associated and functional interdependent in the cornea
Authors: Gao Nan , Lee Patrick , Yu Fu-Shin
Published: November 2016

The corneal epithelium consists of stratified epithelial cells, sparsely interspersed with dendritic cells (DCs) and a dense layer of sensory axons. We sought to assess the structural and functional correlation of DCs and sensory nerves. Two morphologically different DCs, dendriform and round-shaped, were detected in the corneal epithelium. The dendriform DCs were located at the sub-basal space where the nerve plexus resides, with DC dendrites crossing several nerve endings. The round-shaped DCs were closely associated with nerve fiber branching points, penetrating the basement membrane and reaching into the stroma. Phenotypically, the round-shaped DCs were CD86 positive. Trigeminal denervation resulted in epithelial defects with or without total tarsorrhaphy, decreased tear secretion, and the loss of dendriform DCs at the ocular surface. Local DC depletion resulted in a significant decrease in corneal sensitivity, an increase in epithelial defects, and a reduced density of nerve endings at the center of the cornea. Post-wound nerve regeneration was also delayed in the DC-depleted corneas. Taken together, our data show that DCs and sensory nerves are located in close proximity. DCs may play a role in epithelium innervation by accompanying the sensory nerve fibers in crossing the basement membrane and branching into nerve endings.
AGEs Induced Autophagy Impairs Cutaneous Wound Healing via Stimulating Macrophage Polarization to M1 in Diabetes
Authors: Guo Yuanyuan , Lin Cai , Xu Peng , Wu Shan , Fu Xiujun , Xia Weidong , Yao Min
Published: November 2016

Autophagy is essential in physiological and pathological processes, however, the role of autophagy in cutaneous wound healing and the underlying molecular mechanism remain elusive. We hypothesized that autophagy plays an important role in regulating wound healing. Here, we show that enhanced autophagy negatively impacts on normal cutaneous healing process and is related to chronic wounds as demonstrated by the increased LC3 in diabetic mice skin or patients’ chronic wounds. In addition, inhibition of autophagy by 3-MA restores delayed healing in C57BL/6 or db/db mice, demonstrating that autophagy is involved in regulating wound healing. Furthermore, we identify that macrophage is a major cell type underwent autophagy in wounds and increased autophagy induces macrophages polarization into M1 with elevated CD11c population and gene expressions of proinflammatory cytokines. To explore the mechanism underlying autophagy-impaired wound healing, we tested the role of IRF8, a regulator of autophagy, in autophagy-modulated macrophages polarization. IRF8 activation is up-regulating autophagy and M1 polarization of macrophages after AGEs (advanced glycation endproducts) treatment, blocking the IRF8 with shIRF8 inhibits autophagic activity and M1 polarization. In summary, this study elucidates that AGEs induces autophagy and modulates macrophage polarization to M1 via IRF8 activation in impairment of cutaneous wound healing.
Highly Dispersed NiO Nanoparticles Decorating graphene Nanosheets for Non-enzymatic Glucose Sensor and Biofuel Cell
Authors: Zeng Guisheng , Li Weiping , Ci Suqin , Jia Jingchun , Wen Zhenhai
Published: November 2016

Nickel oxide-decorated graphene nanosheet (NiO/GNS), as a novel non-enzymatic electrocatalyst for glucose oxidation reaction (GOR), was synthesized through a facile hydrothermal route followed by the heat treatment. The successful synthesis of NiO/GNS was characterized by a series of techniques including XRD, BET, SEM and TEM. Significantly, the NiO/GNS catalyst show excellent catalytic activity toward GOR, and was employed to develop a sensitive non-enzymatic glucose sensor. The developed glucose sensor could response to glucose in a wide range from 5 μM–4.2 mM with a low detection limit (LOD) of 5.0 μM (S/N = 3). Importantly, compared with bare NiO, the catalytic activity of NiO/GNS was much higher. The reason might be that the 2D structure of graphene could prevent the aggregation of NiO and facilitate the electron transfer at electrode interface. Moreover, the outstanding catalytic activity of NiO/GNS was further demonstrated by applying it to construct a biofuel cell using glucose as fuel, which exhibited high stability and current density.
ROS-mediated Different Homeostasis of Murine Corneal Epithelial Progenitor Cell Line under Oxidative Stress
Authors: Zhou Jing , Ge Lianping , Jia Changkai , Zheng Xiling , Cui Huixia , Zong Rongrong , Bao Xiaorui , Yin Yuanyuan , Ma Jian-xing , Li Wei , Liu Zuguo , Zhou Yueping
Published: November 2016

The role of ROS in stem cell biology has not been fully illustrated and understood. Here we compared the different responses and investigated the mechanism underlying oxidative stress induced by hydrogen peroxide (H2O2) between murine corneal epithelial progenitor cell line (TKE2) and mature murine corneal epithelial cells (MCE). TKE2 showed a different homeostasis and strong resistance to H2O2. TKE2 reduced the production of ROS, inhibited ROS generation enzyme NADPH oxidase 4 (NOX4), and increased dual specificity phosphatase 6 (DUSP6). Furthermore, TKE2 activated nuclear factor (erythroid-derived 2)-like 2 (NRF2) signaling pathway, regulated miR-125B1 and miR-29B1, and elevated levels of antioxidants glutathione S-transferase P (GSTP) and superoxide dismutases (SOD). The association with ROS of the cells was also verified by RNA interference approach and pharmacological antagonization. In addition, TKE2 enhanced the autophagy after exposure to H2O2. The novel evidence suggests that TKE2 cells have different homeostasis and strong antioxidant properties against oxidative stress via the regulation of ROS formation and pathway.
Personalized Risk Assessment in Never, Light, and Heavy Smokers in a prospective cohort in Taiwan
Authors: Wu Xifeng , Wen Chi Pang , Ye Yuanqing , Tsai MinKwang , Wen Christopher , Roth Jack A. , Pu Xia , Chow Wong-Ho , Huff Chad , Cunningham Sonia , Huang Maosheng , Wu Shuanbei , Tsao Chwen Keng , Gu Jian , Lippman Scott M.
Published: November 2016

The objective of this study was to develop markedly improved risk prediction models for lung cancer using a prospective cohort of 395,875 participants in Taiwan. Discriminatory accuracy was measured by generation of receiver operator curves and estimation of area under the curve (AUC). In multivariate Cox regression analysis, age, gender, smoking pack-years, family history of lung cancer, personal cancer history, BMI, lung function test, and serum biomarkers such as carcinoembryonic antigen (CEA), bilirubin, alpha fetoprotein (AFP), and c-reactive protein (CRP) were identified and included in an integrative risk prediction model. The AUC in overall population was 0.851 (95% CI = 0.840–0.862), with never smokers 0.806 (95% CI = 0.790–0.819), light smokers 0.847 (95% CI = 0.824–0.871), and heavy smokers 0.732 (95% CI = 0.708–0.752). By integrating risk factors such as family history of lung cancer, CEA and AFP for light smokers, and lung function test (Maximum Mid-Expiratory Flow, MMEF25–75%), AFP and CEA for never smokers, light and never smokers with cancer risks as high as those within heavy smokers could be identified. The risk model for heavy smokers can allow us to stratify heavy smokers into subgroups with distinct risks, which, if applied to low-dose computed tomography (LDCT) screening, may greatly reduce false positives.
Design of luciferase-displaying protein nanoparticles for use as highly sensitive immunoassay detection probes
Authors: Ikeda Yusuke , Mashimo Yasumasa , Mie Masayasu , Kobatake Eiry
Published: November 2016

In this study, we developed a protein nanoparticle-based immunoassay to detect cancer biomarkers using a bioluminescent fusion protein.
Solution processable formation of a few nanometer thick-disordered overlayer on the surface of open-ended TiO2 nanotubes
Authors: Kwon Soon Woo , Ma Ming , Jeong Myung Jin , Zhang Kan , Kim Sung June , Park Jong Hyeok
Published: November 2016

Herein, we designed vertically aligned TiO2 nanotube arrays, in which a very thin disordered overlayer approximately a few nm thick was formed via a room-temperature solution process.
Rhodium catalyzed synthesis of difluoromethyl cyclopropanes
Authors: Hock Katharina J. , Mertens Lucas , Koenigs Rene M.
Published: November 2016

Difluoromethyl-substituted cyclopropanes still remain one of the most challenging class of substrates.
Correction: Identification of the key structural elements of a dihydropyrimidinone core driving toward more potent Hsp90 C-terminal inhibitors
Authors: Terracciano S. , Chini M. G. , Vaccaro M. C. , Strocchia M. , Foglia A. , Vassallo A. , Saturnino C. , Riccio R. , Bifulco G. , Bruno I.
Published: November 2016

Correction for ‘Identification of the key structural elements of a dihydropyrimidinone core driving toward more potent Hsp90 C-terminal inhibitors’ by S. Teracciano et al., Chem. Commun., 2016, 52, 12857–12860.
Understanding the pH-dependent interaction between graphene oxide and single-stranded DNA through a fiber-optic interferometer
Authors: Yu Bo , Huang Yunyun , Zhou Jun , Guo Tuan , Guan Bai-Ou
Published: November 2016

A method based on a fiber-optic interferometer to study the pH-dependent interaction between graphene oxide and single-stranded DNA chains is carried out.
An insight into the hybrid dye-sensitized solar cell from polyaniline–CdS nanotubes through impedance spectroscopy
Authors: Shit Arnab , Chal Pousali , Nandi Arun K.
Published: November 2016

The hybrid DSSC of a PANI–CdS composite with nanotubular morphology exhibits a maximum PCE of 3.96% showing the highest lifetime of 1.34 ms of photo-injected electrons.
Visible luminescent lanthanide ions and a large π-conjugated ligand system shake hands
Authors: Kitagawa Y. , Ohno R. , Nakanishi T. , Fushimi K. , Hasegawa Y.
Published: November 2016

The novel photophysics induced by the combination of visible luminescent europium(iii) ions and large π-conjugated systems are described.
Chain conformation-dependent thermal conductivity of amorphous polymer blends: the impact of inter- and intra-chain interactions
Authors: Wei Xingfei , Zhang Teng , Luo Tengfei
Published: November 2016

Polymers with high thermal conductivities are of great interest for both scientific research and industrial applications.
Extensive H-atom abstraction from benzoate by OH-radicals at the air–water interface
Authors: Enami Shinichi , Hoffmann Michael R. , Colussi Agustín J.
Published: November 2016

Interfacial OH oxidation of benzoate proceeds via H-atom abstraction and OH-addition.
Silica/organosilica cross-linked block copolymer micelles: a versatile theranostic platform
Authors: Niu Dechao , Li Yongsheng , Shi Jianlin
Published: November 2016

Silica/organosilica cross-linked block copolymer micelles are a novel class of hybrid materials that combine the advantages of amphiphilic block copolymers and silica/organosilica cross-linking agents into one unit. This Tutorial Review summarizes the recent progress in the design, synthesis and biomedical applications of various silica/organosilica cross-linked block copolymer micelles.
Structure models for the hydrated and dehydrated nitrate-intercalated layered double hydroxide of Li and Al
Authors: Nagendran Supreeth , Periyasamy Ganga , Kamath P. Vishnu
Published: November 2016

A schematic plot of the change in orientation of a nitrate ion on hydration.
Two-terminal DSSC/silicon tandem solar cells exceeding 18% efficiency
Authors: Kwon Jeong , Im Min Ji , Kim Chan Ul , Won Sang Hyuk , Kang Sung Bum , Kang Sung Ho , Choi In Taek , Kim Hwan Kyu , Kim In Ho , Park Jong Hyeok , Choi Kyoung Jin
Published: November 2016

A highly-efficient DSSC/Si monolithic tandem cell utilizing PEDOT:FTS as an interfacial catalytic layer.
Elevated propionate and butyrate in fecal ferments of hydrolysates generated by oxalic acid treatment of corn bran arabinoxylan
Authors: Rumpagaporn Pinthip , Reuhs Brad L. , Cantu-Jungles Thaisa M. , Kaur Amandeep , Patterson John A. , Keshavarzian Ali , Hamaker Bruce R.
Published: November 2016

Oxalic acid-debranched corn arabinoxylan increased butyrate while maintaining high proprionate in human fecalin vitrofermentations.
Discovery of cyclopropyl chromane-derived pyridopyrazine-1,6-dione γ-secretase modulators with robust central efficacy
Authors: Pettersson Martin , Johnson Douglas S. , Rankic Danica A. , Kauffman Gregory W. , am Ende Christopher W. , Butler Todd W. , Boscoe Brian , Evrard Edelweiss , Helal Christopher J. , Humphrey John M. , Stepan Antonia F. , Stiff Cory M. , Yang Eddie , Xie Longfei , Bales Kelly R. , Hajos-Korcsok Eva , Jenkinson Stephen , Pettersen Betty , Pustilnik Leslie R. , Ramirez David S. , Steyn Stefanus J. , Wood Kathleen M. , Verhoest Patrick R.
Published: November 2016

γ-Secretase modulators for the treatment of Alzheimer's disease.
Correction: Analysis of the quantitative structure–activity relationship of glutathione-derived peptides based on different free radical scavenging systems
Authors: Liao Wenzhen , Gu Longjian , Zheng Yamei , Zhu Zisheng , Zhao Mouming , Liang Ming , Ren Jiaoyan
Published: November 2016

Correction for ‘Analysis of the quantitative structure–activity relationship of glutathione-derived peptides based on different free radical scavenging systems’ by Wenzhen Liao et al., Med. Chem. Commun., 2016, DOI: 10.1039/c6md00006a.
Survey, fluorescence spectra, and solubility of liquid cyanine dyes
Authors: Matsui Masaki , Yamamoto Takaya , Kubota Yasuhiro , Funabiki Kazumasa
Published: November 2016

Four liquid cyanine dyes were produced. The fluorescence of these liquid derivatives in neat form at −196 °C was significantly more intense than that at 25 °C.
Effect of N ancillary ligands on the structure, nuclearity and magnetic behavior of Cu(ii)–pyrazolecarboxylate complexes
Authors: Cheng Meiling , Sun Lin , Han Wei , Wang Shen , Liu Qi , Sun Xiaoqiang , Xi Haitao
Published: November 2016

The first discrete cyclic-trinuclear copper(ii)–pyrazolato complex without any μ3 ligand core was synthesized and its magnetic properties were investigated.
S-Nitrosothiol-modified hyperbranched polyesters
Authors: Yang Lei , Lu Yuan , Soto Robert J. , Shah Anand , Ahonen Mona Jasmine R. , Schoenfisch Mark H.
Published: November 2016

S-Nitrosothiol-modified hyperbranched polyesters as a novel biodegradable nitric oxide-releasing scaffold.
Mechanically strong and thermosensitive hydrogels reinforced with cellulose nanofibrils
Authors: Liu Liu , Li Lei , Qing Yan , Yan Ning , Wu Yiqiang , Li Xianjun , Tian Cuihua
Published: November 2016

Thermosensitive hydrogels possessing excellent mechanical strength were synthesized with cellulose nanofibrils as a reinforcing agent.
A facile strategy to fabricate highly-stretchable self-healing poly(vinyl alcohol) hybrid hydrogels based on metal–ligand interactions and hydrogen bonding
Authors: Hui Yan , Wen Zhi-Bin , Pilate Florence , Xie Hui , Fan Cheng-Jie , Du Lan , Liu Dan , Yang Ke-Ke , Wang Yu-Zhong
Published: November 2016

A novel poly(vinyl alcohol) hybrid hydrogel based on metal–ligand interactions and hydrogen bonding was fabricated, possessing highly-stretchable and self-healing properties.
Zn(ii) anchored onto the magnetic natural hydroxyapatite (ZnII/HAP/Fe3O4): as a novel, green and recyclable catalyst for A3-coupling reaction towards propargylamine synthesis under solvent-free conditions
Authors: Zarei Zeinab , Akhlaghinia Batool
Published: November 2016

In this paper, Zn(ii) anchored onto the magnetic natural hydroxyapatite (ZnII/HAP/Fe3O4), as a new and magnetically recoverable catalyst, was prepared and characterized using different techniques such as FT-IR, XRD, TGA, TEM, EDX, VSM and ICP.
Correction: 3D graphene–carbon nanotube–nickel ensembles as anodes in sodium-ion batteries
Authors: Gangaraju Deepa , Vadahanambi Sridhar , Park Hyun
Published: November 2016

Correction for ‘3D graphene–carbon nanotube–nickel ensembles as anodes in sodium-ion batteries’ by Deepa Gangaraju et al., RSC Adv., 2016, 6, 99914–99918.
Polydopamine and eumelanin molecular structures investigated with ab initio calculations
Authors: Chen Chun-Teh , Martin-Martinez Francisco J. , Jung Gang Seob , Buehler Markus J.
Published: November 2016

A set of computational methods that contains a brute-force algorithmic generation of chemical isomers, molecular dynamics (MD) simulations, and density functional theory (DFT) calculations is reported and applied to investigate nearly 3000 probable molecular structures of polydopamine (PDA) and eumelanin.
MXene as a novel intercalation-type pseudocapacitive cathode and anode for capacitive deionization
Authors: Srimuk Pattarachai , Kaasik Friedrich , Krüner Benjamin , Tolosa Aura , Fleischmann Simon , Jäckel Nicolas , Tekeli Mehmet C. , Aslan Mesut , Suss Matthew E. , Presser Volker
Published: November 2016

In this proof-of-concept study, we introduce and demonstrate MXene as a novel type of intercalation electrode for desalination via capacitive deionization (CDI).
Hierarchical MnCo-layered double hydroxides@Ni(OH)2 core–shell heterostructures as advanced electrodes for supercapacitors
Authors: Liu Shude , Lee Su Chan , Patil Umakant , Shackery Iman , Kang Shinill , Zhang Kan , Park Jong Hyeok , Chung Kyung Yoon , Chan Jun Seong
Published: November 2016

Rational assembly and hetero-growth of hybrid structures consisting of multiple components with distinctive features are a promising and challenging strategy to develop materials for energy storage applications.
Solution-processed indium-free ZnO/SnO2 bilayer heterostructures as a low-temperature route to high-performance metal oxide thin-film transistors with excellent stabilities
Authors: Nam Sooji , Yang Jong-Heon , Cho Sung Haeng , Choi Ji Hun , Kwon Oh-Sang , Park Eun-Suk , Lee Su-Jae , Cho Kyoung-Ik , Jang Jaeyoung , Hwang Chi-Sun
Published: November 2016

The ZnO/SnO2 bilayer TFTs exhibited outstanding electron mobilities and excellent electrical stabilities against a variety of bias stresses.
Mechanically controlled FRET to achieve an independent three color switch
Authors: Ma Zhiyong , Ji Yajian , Wang Zhijian , Kuang Guichao , Jia Xinru
Published: November 2016

A reversible and independent three color switch was achieved by the stimulus of external force at ambient temperature.
Adaptive dynamic positioning control for accommodation vessels with multiple constraints
Authors: Tu Fangwen , Sam Ge Shuzhi , Choo Yoo Sang , Hang Chang Chieh
Published: November 2016

In this study, adaptive constrained control with non‐linear adaptive filter is proposed for the dynamic positioning of an accommodation vessel (AV) in deep water area. To reduce wear and tear on the thrusters due to the high frequency (HF) wave‐induced motion, a non‐linear neural network filter is designed to estimate the low frequency motion by filtering out the HF motion in the presence of parametric uncertainties. The proposed filter is able to handle the variation of sea conditions by adaptively adjusting the wave frequency components. Based on the designed filter, an adaptive neural control with input and output constraints is developed to tackle the non‐linearities of control signals and guarantee a safe operation. The semi‐global uniform boundedness of all the closed‐loop signals is investigated through rigorous Lyapunov analysis. A set of simulation studies are conducted on a typical AV model to demonstrate the effectiveness of the proposed filter and control.
Multiband compact antenna for near‐field and far‐field RFID and wireless portable applications
Authors: Forouzannezhad Parisa , Jafargholi Amir , Jahanbakhshi Alireza
Published: November 2016

This study presents a multiband compact microstrip antenna for portable wireless applications. The proposed antenna, in addition to wireless local area network and a global positioning system (GPS) channels, is utilised for inductive and capacitive near‐ and far‐field ultrahigh‐frequency and 2.4 GHz radio frequency identification (RFID) applications. The fabricated antenna works at 890 to 933 MHz, GPS‐L1, and 2.4 GHz. Its linearly polarised radiation pattern provides a 1.2 to 2.5 dBi gain through the antenna bandwidth. A comparative study with other passive RFID reader conventional antennas shows that the proposed structure provides strong near E‐ and H‐fields and simultaneous good impedance matching for far‐field applications. Design details, simulated results, and a fabricated prototype are presented. The experimental results including radiation patterns, peak gain, and efficiency of the proposed antenna are presented. Comparisons between the simulation and measurement results show that the proposed antenna has a reasonable gain and radiation patterns.
Quantitative low-energy ion beam characterization by beam profiling and imaging via scintillation screens
Authors: Germer S. , Pietag F. , Polak J. , Arnold T.
Published: November 2016

This study presents the imaging and characterization of low-current ion beams in the neutralized state monitored via single crystal YAG:Ce (Y3Al5O12) scintillators. To validate the presented beam diagnostic tool, Faraday cup measurements and test etchings were performed. Argon ions with a typical energy of 1.0 keV were emitted from an inductively coupled radio-frequency (13.56 MHz) ion beam source with total currents of some mA. Different beam properties, such as, lateral ion current density, beam divergence angle, and current density in pulsed ion beams have been studied to obtain information about the spatial beam profile and the material removal rate distribution. We observed excellent imaging properties with the scintillation screen and achieved a detailed characterization of the neutralized ion beam. A strong correlation between the scintillator light output, the ion current density, and the material removal rate could be observed.
The development of an improved streak tube for fusion diagnostics
Authors: Howorth J. R. , Milnes J. S. , Fisher Y. , Jadwin A. , Boni R. , Jaanimagi P. A.
Published: November 2016

The fusion diagnostic community, including the National Ignition Facility, the Laboratory for Laser Energetics, Megajoule in France, and others require optical recording instruments with precise time resolution covering a dynamic range of many orders of magnitude. In 2012, LLE, Photek, and Sydor Instruments embarked on the re-design of an improved streak tube for fusion diagnostics. As a baseline we started with the Photek ST-Y streak tube which is a member of the RCA design dating back to 1957, because the tube body can accommodate a 35 mm long photocathode, and consequently more fibre coupled diagnostic channels than smaller designs. Electron optical modelling was carried out by both Paul Jaanimagi in the US and by Photek with different software packages in a parallel exercise. Our goal was to address some of the short-comings of this tube, the initial approach being to increase the field between the photocathode and extractor electrode from 700 to 1300 V/mm to reduce space charge effects and to improve time resolution. Many changes and modifications were made: the time resolution was improved to 5 ps, the usable cathode length was increased from 20 mm to 32 mm under high extraction field operation, and the off-axis spatial resolution was substantially improved compared to other tubes of this format. Several tubes have been built and tested in Sydor ROSS-5800 streak cameras.
Effects of wing shape, aspect ratio and deviation angle on aerodynamic performance of flapping wings in hover
Authors: Shahzad Aamer , Tian Fang-Bao , Young John , Lai Joseph C. S.
Published: November 2016

This numerical study is focused on assessing the effect on the aerodynamic hovering performance of wing shapes defined by the radius of the first moment of the wing area (r1¯) and aspect ratio (AR). In addition, the effect of introducing a deviation angle in the kinematics is examined. The performance of r1¯=0.43, 0.53, and 0.63 wings with AR of 1.5, 2.96, 4.5, and 6.0 is investigated at Reynolds numbers (Re) = 12, 400, and 13 500. The performance trends of the wing shapes have been observed to be independent of Re for both 2-angle and 3-angle kinematics. This is because high suction pressures associated with the leading-edge vortex are predominantly spread in the distal (away from the wing root) and leeward regions (towards the trailing-edge) of high flapping velocities for all the cases. While the deviation angle is detrimental to the production of lift and power economy (PE, defined as the ratio of the mean lift coefficient to the mean aerodynamic power coefficient) at Re = 12 due to strong viscous effects, it improves PE at Re = 400 and 13 500. A high instantaneous angle of attack at the stroke reversal results in high lift peak for 3-angle kinematics but its effect at Re = 400 and 13 500 is attenuated by strong vortical structures on the underside of the wing. Maximum PE is achieved at AR = 2.96, as a low AR wing does not produce enough lift and high AR wings consume more aerodynamic power. Although the lift is maximized using high r1¯ and AR wings, our results show that low r1¯ and high AR wings are best for maximizing PE for a given lift in insects.
Thermoelectric properties of In and I doped PbTe
Authors: Bali Ashoka , Chetty Raju , Sharma Amit , Rogl Gerda , Heinrich Patrick , Suwas Satyam , Misra Dinesh Kumar , Rogl Peter , Bauer Ernst , Mallik Ramesh Chandra
Published: November 2016

A systematic study of structural, microstructural, and thermoelectric properties of bulk PbTe doped with indium (In) alone and co-doped with both indium and iodine (I) has been done. X-ray diffraction results showed all the samples to be of single phase. Scanning electron microscopy (SEM) results revealed the particle sizes to be in the range of micrometers, while high resolution transmission electron microscopy was used to investigate distinct microstructural features such as interfaces, grain boundaries, and strain field domains. Hall measurement at 300 K revealed the carrier concentration ∼1019 cm−3 showing the degenerate nature which was further seen in the electrical resistivity of samples, which increased with rising temperature. Seebeck coefficient indicated that all samples were n–type semiconductors with electrons as the majority carriers throughout the temperature range. A maximum power factor ∼25 μW cm−1 K−2 for all In doped samples and Pb0.998In0.003Te1.000I0.003 was observed at 700 K. Doping leads to a reduction in the total thermal conductivity due to enhanced phonon scattering by mass fluctuations and distinct microstructure features such as interfaces, grain boundaries, and strain field domains. The highest zT of 1.12 at 773 K for In doped samples and a zT of 1.1 at 770 K for In and I co-doped samples were obtained.
Silicon-based chalcogenide: Unexpected quantum spin Hall insulator with sizable band gap
Authors: Zhang Run-wu , Zhang Chang-wen , Ji Wei-xiao , Li Ping , Wang Pei-ji , Li Sheng-shi , Yan Shi-shen
Published: November 2016

Searching for two-dimensional (2D) silicon-based topological materials is imperative for the development of various innovative devices. Here, by using first-principles calculations, we discover the silicon-based chalcogenide Si2Te2 film to be a 2D quantum spin Hall (QSH) insulator with a fundamental band gap of 0.34 eV, which can be tunable under external strain. This nontrivial topological phase stems from band inversion between the Si-px,y and Te-px,y orbitals, demonstrated by a single pair of topologically protected helical edge states with Dirac point located in the bulk gap. Notably, the characteristic properties of edge states, such as the Fermi velocity and edge shape, can be engineered by edge modifications. Additionally, the BN sheet is an ideal substrate for the experimental realization of Si2Te2 films, without destroying its nontrivial topology. Our works open a meaningful route for designing topological spintronics devices based on 2D silicon-based films.
Multicarrier transport in InGaSb/InAs superlattice structures
Authors: Mitchel W. C. , Elhamri Said , Haugan H. J. , Brown Gail J. , Mou Shin , Szmulowicz Frank
Published: November 2016

The electrical properties of In0.25Ga0.75Sb/InAs superlattices designed for use as very long wavelength infrared detectors were studied with magnetic field dependent transport measurements and multicarrier analysis. Two electron channels and one hole channel were identified. The low concentration, high mobility electron channel was identified with conduction within the superlattice. Residual electron concentrations in the superlattice are found to be in the high 1010 cm-2 range with mobilities on the order of 40 000 cm2/V s. The other electron and hole channels have significantly lower mobilities with concentrations in the 1011 cm-2 range and can have a significant impact on the resistivity, carrier concentration, and mobility as measured at a single magnetic field value in conventional transport measurements.
Five intermolecular vibrations of the CO2 dimer observed via infrared combination bands
Authors: Norooz Oliaee J. , Dehghany M. , Rezaei Mojtaba , McKellar A. R. W. , Moazzen-Ahmadi N.
Published: November 2016

The weakly bound van der Waals dimer (CO2)2 has long been of considerable theoretical and experimental interest. Here, we study its low frequency intermolecular vibrations by means of combination bands in the region of the CO2 monomer ν3 fundamental (≈2350 cm−1), which are observed using a tunable infrared laser to probe a pulsed supersonic slit jet expansion. With the help of a recent high level ab initio calculation by Wang, Carrington, and Dawes, four intermolecular frequencies are assigned: the in-plane disrotatory bend (22.26 cm−1); the out-of-plane torsion (23.24 cm−1); twice the disrotatory bend (31.51 cm−1); and the in-plane conrotatory bend (92.25 cm−1). The disrotatory bend and torsion, separated by only 0.98 cm−1, are strongly mixed by Coriolis interactions. The disrotatory bend overtone is well behaved, but the conrotatory bend is highly perturbed and could not be well fitted. The latter perturbations could be due to tunneling effects, which have not previously been observed experimentally for CO2 dimer. A fifth combination band, located 1.3 cm−1 below the conrotatory bend, remains unassigned.