bluuebunny/crossref_metadata_2025 huggingface dataset:
Ginseng alleviates cyclophosphamide-induced hepatotoxicity via reversing disordered homeostasis of glutathione and bile acid
Authors: Zhu He , Long Min-Hui , Wu Jie , Wang Meng-Meng , Li Xiu-Yang , Shen Hong , Xu Jin-Di , Zhou Li , Fang Zhi-Jun , Luo Yi , Li Song-Lin
Published: December 2015

Cyclophosphamide (CP), a chemotherapeutic agent, is restricted due to its side effects, especially hepatotoxicity. Ginseng has often been clinically used with CP in China, but whether and how ginseng reduces the hepatotoxicity is unknown. In this study, the hepatoprotective effects and mechanisms under the combined usage were investigated. It was found that ginseng could ameliorate CP-induced elevations of ALP, ALT, ALS, MDA and hepatic deterioration, enhance antioxidant enzymes’ activities and GSH’s level. Metabolomics study revealed that 33 endogenous metabolites were changed by CP, 19 of which were reversed when ginseng was co-administrated via two main pathways, i.e., GSH metabolism and primary bile acids synthesis. Furthermore, ginseng could induce expression of GCLC, GCLM, GS and GST, which associate with the disposition of GSH and expression of FXR, CYP7A1, NTCP and MRP 3, which play important roles in the synthesis and transport of bile acids. In addition, NRF 2, one of regulatory elements on the expression of GCLC, GCLM, GS, GST, NTCP and MRP3, was up-regulated when ginseng was co-administrated. In conclusion, ginseng could alleviate CP-induced hepatotoxicity via modulating the disordered homeostasis of GSH and bile acid, which might be mediated by inducing the expression of NRF 2 in liver.
Resonant Andreev Spectroscopy in normal-Metal/thin-Ferromagnet/Superconductor Device: Theory and Application
Authors: Romeo Francesco , Giubileo Filippo , Citro Roberta , Di Bartolomeo Antonio , Attanasio Carmine , Cirillo Carla , Polcari Albino , Romano Paola
Published: December 2015

We develop a theoretical model to describe the transport properties of normal-metal/thin-ferromagnet/superconductor device. We perform experimental test of the model using a gold tip on PdNi/Nb bilayer. The resonant proximity effect causes conductance features very sensitive to the local ferromagnetic properties, enabling accurate measurement of polarization and thickness of the ferromagnet by point contact spectroscopy.
Mitigation of Fumonisin Biomarkers by Green Tea Polyphenols in a High-Risk Population of Hepatocellular Carcinoma
Authors: Xue Kathy S. , Tang Lili , Cai Qingsong , Shen Ye , Su Jianjia , Wang Jia-Sheng
Published: December 2015

Green tea polyphenols (GTP) are highly effective in inhibiting a variety of tumorigenic effects induced by carcinogens. In this study we assessed GTP mitigation on biomarkers of fumonisin B1 (FB1), a class 2B carcinogen, in blood and urine samples collected from an intervention trial. A total of 124 exposed people were recruited and randomly assigned to low-dose (GTP 500 mg, n = 42), high-dose (GTP 1,000 mg, n = 41) or placebo (n = 41) for 3 months. After one-month of intervention, urinary FB1 was significantly decreased in high-dose group compared to that of placebo group (p = 0.045), with reduction rates of 18.95% in the low-dose group and 33.62% in the high-dose group. After three-month intervention, urinary FB1 showed significant decrease in both low-dose (p = 0.016) and the high-dose (p = 0.0005) groups compared to that of both placebo group and baseline levels, with reduction rates of 40.18% in the low-dose group and 52.6% in the high-dose group. GTP treatment also significantly reduced urinary excretion of sphinganine (Sa), sphingosine (So) and Sa/So ratio, but had no effect on serum Sa, So and Sa/So ratio. Analysis with mixed-effect model revealed significant interactions between time and treatment effects of GTP on both urinary free FB1 levels and Sa/So ratios.
M1 and M3 muscarinic receptors may play a role in the neurotoxicity of anhydroecgonine methyl ester, a cocaine pyrolysis product
Authors: Garcia Raphael Caio Tamborelli , Dati Livia Mendonça Munhoz , Torres Larissa Helena , da Silva Mariana Aguilera Alencar , Udo Mariana Sayuri Berto , Abdalla Fernando Maurício Francis , da Costa José Luiz , Gorjão Renata , Afeche Solange Castro , Yonamine Mauricio , Niswender Colleen M. , Conn P. Jeffrey , Camarini Rosana , Sandoval Maria Regina Lopes , Marcourakis Tania
Published: December 2015

The smoke of crack cocaine contains cocaine and its pyrolysis product, anhydroecgonine methyl ester (AEME). AEME possesses greater neurotoxic potential than cocaine and an additive effect when they are combined. Since atropine prevented AEME-induced neurotoxicity, it has been suggested that its toxic effects may involve the muscarinic cholinergic receptors (mAChRs). Our aim is to understand the interaction between AEME and mAChRs and how it can lead to neuronal death. Using a rat primary hippocampal cell culture, AEME was shown to cause a concentration-dependent increase on both total [3H]inositol phosphate and intracellular calcium and to induce DNA fragmentation after 24 hours of exposure, in line with the activation of caspase-3 previously shown. Additionally, we assessed AEME activity at rat mAChR subtypes 1–5 heterologously expressed in Chinese Hamster Ovary cells. l-[N-methyl-3H]scopolamine competition binding showed a preference of AEME for the M2 subtype; calcium mobilization tests revealed partial agonist effects at M1 and M3 and antagonist activity at the remaining subtypes. The selective M1 and M3 antagonists and the phospholipase C inhibitor, were able to prevent AEME-induced neurotoxicity, suggesting that the toxicity is due to the partial agonist effect at M1 and M3 mAChRs, leading to DNA fragmentation and neuronal death by apoptosis.
Single Layer Bismuth Iodide: Computational Exploration of Structural, Electrical, Mechanical and Optical Properties
Authors: Ma Fengxian , Zhou Mei , Jiao Yalong , Gao Guoping , Gu Yuantong , Bilic Ante , Chen Zhongfang , Du Aijun
Published: December 2015

Layered graphitic materials exhibit new intriguing electronic structure and the search for new types of two-dimensional (2D) monolayer is of importance for the fabrication of next generation miniature electronic and optoelectronic devices. By means of density functional theory (DFT) computations, we investigated in detail the structural, electronic, mechanical and optical properties of the single-layer bismuth iodide (BiI3) nanosheet. Monolayer BiI3 is dynamically stable as confirmed by the computed phonon spectrum. The cleavage energy (Ecl) and interlayer coupling strength of bulk BiI3 are comparable to the experimental values of graphite, which indicates that the exfoliation of BiI3 is highly feasible. The obtained stress-strain curve shows that the BiI3 nanosheet is a brittle material with a breaking strain of 13%. The BiI3 monolayer has an indirect band gap of 1.57 eV with spin orbit coupling (SOC), indicating its potential application for solar cells. Furthermore, the band gap of BiI3 monolayer can be modulated by biaxial strain. Most interestingly, interfacing electrically active graphene with monolayer BiI3 nanosheet leads to enhanced light absorption compared to that in pure monolayer BiI3 nanosheet, highlighting its great potential applications in photonics and photovoltaic solar cells.
Plasmonic field confinement for separate absorption-multiplication in InGaAs nanopillar avalanche photodiodes
Authors: Farrell Alan C. , Senanayake Pradeep , Hung Chung-Hong , El-Howayek Georges , Rajagopal Abhejit , Currie Marc , Hayat Majeed M. , Huffaker Diana L.
Published: December 2015

Avalanche photodiodes (APDs) are essential components in quantum key distribution systems and active imaging systems requiring both ultrafast response time to measure photon time of flight and high gain to detect low photon flux. The internal gain of an APD can improve system signal-to-noise ratio (SNR). Excess noise is typically kept low through the selection of material with intrinsically low excess noise, using separate-absorption-multiplication (SAM) heterostructures, or taking advantage of the dead-space effect using thin multiplication regions. In this work we demonstrate the first measurement of excess noise and gain-bandwidth product in III–V nanopillars exhibiting substantially lower excess noise factors compared to bulk and gain-bandwidth products greater than 200 GHz. The nanopillar optical antenna avalanche detector (NOAAD) architecture is utilized for spatially separating the absorption region from the avalanche region via the NOA resulting in single carrier injection without the use of a traditional SAM heterostructure.
What Role do Hurricanes Play in Sediment Delivery to Subsiding River Deltas?
Authors: Smith James E. , Bentley Samuel J. , Snedden Gregg A. , White Crawford
Published: December 2015

The Mississippi River Delta (MRD) has undergone tremendous land loss over the past century due to natural and anthropogenic influences, a fate shared by many river deltas globally. A globally unprecedented effort to restore and sustain the remaining subaerial portions of the delta is now underway, an endeavor that is expected to cost $50–100B over the next 50 yr. Success of this effort requires a thorough understanding of natural and anthropogenic controls on sediment supply and delta geomorphology. In the MRD, hurricanes have been paradoxically identified as both substantial agents of widespread land loss and vertical marsh sediment accretion. We present the first multi-decadal chronostratigraphic assessment of sediment supply for a major coastal basin of the MRD that assesses both fluvial and hurricane-induced contributions to sediment accumulation in deltaic wetlands. Our findings indicate that over multidecadal timescales, hurricane-induced sediment delivery may be an important contributor for deltaic wetland vertical accretion, but the contribution from hurricanes to long-term sediment accumulation is substantially less than sediment delivery supplied by existing and planned river-sediment diversions at present-day river-sediment loads.
An ABA down-regulated bHLH transcription repressor gene, bHLH129 regulates root elongation and ABA response when overexpressed in Arabidopsis
Authors: Tian Hainan , Guo Hongyan , Dai Xuemei , Cheng Yuxin , Zheng Kaijie , Wang Xiaoping , Wang Shucai
Published: December 2015

Plant hormone abscisic acid (ABA) plays a crucial role in modulating plant responses to environmental stresses. Basic helix-loop-helix (bHLH) transcription factors are one of the largest transcription factor families that regulate multiple aspects of plant growth and development, as well as of plant metabolism in Arabidopsis. Several bHLH transcription factors have been shown to be involved in the regulation of ABA signaling. We report here the characterization of bHLH129, a bHLH transcription factor in Arabidopsis. We found that the expression level of bHLH129 was reduced in response to exogenously applied ABA and elevated in the ABA biosynthesis mutant aba1-5. Florescence observation of transgenic plants expressing bHLH129-GFP showed that bHLH129 was localized in the nucleus and transient expression of bHLH129 in protoplasts inhibited reporter gene expression. When expressed in Arabidopsis under the control of the 35S promoter, bHLH129 promoted root elongation and the transgenic plants were less sensitivity to ABA in root elongation assays. Quantitative RT-PCR results showed that ABA response of several genes involved in ABA signaling, including ABI1, SnRK2.2, SnRK2.3 and SnRK2.6 were altered in the transgenic plants overexpressing bHLH129. Taken together, our study suggests that bHLH129 is a transcription repressor that negatively regulates ABA response in Arabidopsis.
Massive gene loss in mistletoe (Viscum, Viscaceae) mitochondria
Authors: Petersen G. , Cuenca A. , Møller I. M. , Seberg O.
Published: December 2015

Parasitism is a successful survival strategy across all kingdoms and has evolved repeatedly in angiosperms. Parasitic plants obtain nutrients from other plants and some are agricultural pests. Obligate parasites, which cannot complete their lifecycle without a host, may lack functional photosystems (holoparasites), or have retained photosynthesis (hemiparasites). Plastid genomes are often reduced in parasites, but complete mitochondrial genomes have not been sequenced and their mitochondrial respiratory capacities are largely unknown. The hemiparasitic European mistletoe (Viscum album), known from folklore and postulated therapeutic properties, is a pest in plantations and forestry. We compare the mitochondrial genomes of three Viscum species based on the complete mitochondrial genome of V. album, the first from a parasitic plant. We show that mitochondrial genes encoding proteins of all respiratory complexes are lacking or pseudogenized raising several questions relevant to all parasitic plants: Are any mitochondrial gene functions essential? Do any genes need to be located in the mitochondrial genome or can they all be transferred to the nucleus? Can parasitic plants survive without oxidative phosphorylation by using alternative respiratory pathways? More generally, our study is a step towards understanding how host- and self-perception, host integration and nucleic acid transfer has modified ancestral mitochondrial genomes.
Hydrogen Impurity Defects in Rutile TiO2
Authors: Mo Li-Bin , Wang Yu , Bai Yang , Xiang Qing-Yun , Li Qun , Yao Wen-Qing , Wang Jia-Ou , Ibrahim Kurash , Wang Huan-Hua , Wan Cai-Hua , Cao Jiang-Li
Published: December 2015

Hydrogen-related defects play crucial roles in determining physical properties of their host oxides. In this work, we report our systematic experimental and theoretical (based on density functional theory) studies of the defect states formed in hydrogenated-rutile TiO2 in gaseous H2 and atomic H. In gas-hydrogenated TiO2, the incorporated hydrogen tends to occupy the oxygen vacancy site and negatively charged. The incorporated hydrogen takes the interstitial position in atom-hydrogenated TiO2, forming a weak O-H bond with the closest oxygen ion and becomes positive. Both states of hydrogen affect the electronic structure of TiO2 mainly through changes of Ti 3d and O 2p states instead of the direct contributions of hydrogen. The resulted electronic structures of the hydrogenated TiO2 are manifested in modifications of the electrical and optical properties that will be useful for the design of new materials capable for green energy economy.
The effectiveness of Corticosteroids on mortality in patients with acute respiratory distress syndrome or acute lung injury: a secondary analysis
Authors: Zhang Zhongheng , Chen Lin , Ni Hongying
Published: December 2015

The development of acute respiratory distress syndrome (ARDS) is associated with dys-regulated inflammation. Since corticosteroids are potent anti-inflammatory drugs, they are thought to be beneficial for ARDS patients. The study aimed to investigate the effectiveness of corticosteroids on mortality outcome in ARDS patients. The study was a secondary analysis of a prospective randomized controlled trial (NCT00979121). ARDS patients with invasive mechanical ventilation were enrolled. Corticosteroids use was defined as IV or PO administration of corticosteroids totaling more than 20 mg methylprednisolone equivalents during one calendar day. Missing data were handled using multiple imputation technique. Multivariable model was built to adjust for confounding covariates. A total of 745 patients were enrolled, including 540 survivors and 205 non-survivors. Patients in the non-survivor group were more likely to use corticosteroids (38% vs. 29.8%; p = 0.032). After adjustment for other potential confounders, corticosteroids showed no statistically significant effect on mortality outcome (OR: 1.18; 95% CI: 0.81–1.71). Furthermore, we investigated the interaction between corticosteroid use and variables of vasopressor and PaO2. The result showed that there was no significant interaction. In conclusion, the study failed to identify any beneficial effects of corticosteroids on mortality outcome in patients with ARDS.
Rapid accumulation and low degradation: key parameters of Tomato yellow leaf curl virus persistence in its insect vector Bemisia tabaci
Authors: Becker Nathalie , Rimbaud Loup , Chiroleu Frédéric , Reynaud Bernard , Thébaud Gaël , Lett Jean-Michel
Published: December 2015

Of worldwide economic importance, Tomato yellow leaf curl virus (TYLCV, Begomovirus) is responsible for one of the most devastating plant diseases in warm and temperate regions. The DNA begomoviruses (Geminiviridae) are transmitted by the whitefly species complex Bemisia tabaci. Although geminiviruses have long been described as circulative non-propagative viruses, observations such as long persistence of TYLCV in B. tabaci raised the question of their possible replication in the vector. We monitored two major TYLCV strains, Mild (Mld) and Israel (IL), in the invasive B. tabaci Middle East-Asia Minor 1 cryptic species, during and after the viral acquisition, within two timeframes (0–144 hours or 0–20 days). TYLCV DNA was quantified using real-time PCR and the complementary DNA strand of TYLCV involved in viral replication was specifically quantified using anchored real-time PCR. The DNA of both TYLCV strains accumulated exponentially during acquisition but remained stable after viral acquisition had stopped. Neither replication nor vertical transmission were observed. In conclusion, our quantification of the viral loads and complementary strands of both Mld and IL strains of TYLCV in B. tabaci point to an efficient accumulation and preservation mechanism, rather than to a dynamic equilibrium between replication and degradation.
Object size can influence perceived weight independent of visual estimates of the volume of material
Authors: Plaisier Myrthe A. , Smeets Jeroen B.J.
Published: December 2015

The size-weight illusion is the phenomenon that the smaller of two equally heavy objects is perceived to be heavier than the larger object when lifted. One explanation for this illusion is that heaviness perception is influenced by our expectations and larger objects are expected to be heavier than smaller ones because they contain more material. If this would be the entire explanation, the illusion should disappear if we make objects larger while keeping the volume of visible material the same (i.e. objects with visible holes). Here we tested this prediction. Our results show that perceived heaviness decreased with object size regardless of whether objects visibly contained the same volume of material or not. This indicates that object size can influence perceived heaviness, even when it can be seen that differently sized objects contain the same volume of material.
Tumor-selective peptide-carrier delivery of Paclitaxel increases in vivo activity of the drug
Authors: Brunetti Jlenia , Pillozzi Serena , Falciani Chiara , Depau Lorenzo , Tenori Eleonora , Scali Silvia , Lozzi Luisa , Pini Alessandro , Arcangeli Annarosa , Menichetti Stefano , Bracci Luisa
Published: December 2015

Taxanes are highly effective chemotherapeutic drugs against proliferating cancer and an established option in the standard treatment of ovarian and breast cancer. However, treatment with paclitaxel is associated with severe side effects, including sensory axonal neuropathy and its poor solubility in water complicates its formulation. In this paper we report the in vitro and in vivo activity of a new form of paclitaxel, modified for conjugation with a tumor-selective tetrabranched peptide carrier (NT4). NT4 selectively targets tumor cells by binding to membrane sulfated glycosaminoglycans (GAG) and to endocytic receptors, like LRP1 and LRP6, which are established tumor markers. Biological activity of NT4-paclitaxel was tested in vitro on MDA-MB 231 and SKOV-3 cell lines, representing breast and ovarian cancer, respectively and in vivo in an orthotopic mouse model of human breast cancer. Using in vivo bioluminescence imaging, we found that conjugation of paclitaxel with the NT4 peptide led to increased therapeutic activity of the drug in vivo. NT4-paclitaxel induced tumor regression, whereas treatment with unconjugated paclitaxel only produced a reduction in tumor growth. Moreover, unlike paclitaxel, NT4-paclitaxel is very hydrophilic, which may improve its pharmacokinetic profile and allow the use of less toxic dilution buffers, further decreasing its general chemotherapic toxicity.
Mitochondria-related miR-151a-5p reduces cellular ATP production by targeting CYTB in asthenozoospermia
Authors: Zhou Ran , Wang Rong , Qin Yufeng , Ji Juan , Xu Miaofei , Wu Wei , Chen Minjian , Wu Di , Song Ling , Shen Hongbing , Sha Jiahao , Miao Dengshun , Hu Zhibin , Xia Yankai , Lu Chuncheng , Wang Xinru
Published: December 2015

Mitochondria, acting as the energy metabolism factory, participate in many key biological processes, including the maintenance of sperm viability. Mitochondria-related microRNA (miRNA), encoded by nuclear genome or mitochondrial genome, may play an important regulatory role in the control of mitochondrial function. To investigate the potential role of mitochondria-related miRNAs in asthenozoospermia, we adopted a strategy consisting of initial screening by TaqMan Low Density Array (TLDA) and further validation with quantitative reverse transcriptase polymerase chain reaction (qRT-PCR). Validation of the profiling results was conducted in two independent phases. Eventually, two seminal plasma miRNAs (sp-miRs) (miR-101-3p, let-7b-5p) were found to be significantly decreased, while sp-miR-151a-5p was significantly increased in severe asthenozoospermia cases compared with healthy controls. To further study their potential roles in asthenozoospermia, we then evaluated mitochondrial function of GC-2 cells transfected with these potentially functional miRNAs. Our results demonstrated that transfection with miR-151a-5p mimics decreased the mitochondrial respiratory activity. Besides, Adenosine Triphosphate (ATP) level was decreased when transfected with miR-151a-5p mimics. In addition, Cytochrome b (Cytb) mRNA and protein levels were also decreased when miR-151a-5p was overexpressed. These results indicate that miR-151a-5p may participate in the regulation of cellular respiration and ATP production through targeting Cytb.
Pressure-driven formation and stabilization of superconductive chromium hydrides
Authors: Yu Shuyin , Jia Xiaojing , Frapper Gilles , Li Duan , Oganov Artem R. , Zeng Qingfeng , Zhang Litong
Published: December 2015

Chromium hydride is a prototype stoichiometric transition metal hydride. The phase diagram of Cr-H system at high pressures remains largely unexplored due to the challenges in dealing with the high activation barriers and complications in handing hydrogen under pressure. We have performed an extensive structural study on Cr-H system at pressure range 0 ∼ 300 GPa using an unbiased structure prediction method based on evolutionary algorithm. Upon compression, a number of hydrides are predicted to become stable in the excess hydrogen environment and these have compositions of Cr2Hn(n = 2–4, 6, 8, 16). Cr2H3, CrH2and Cr2H5structures are versions of the perfect anti-NiAs-type CrH with ordered tetrahedral interstitial sites filled by H atoms. CrH3and CrH4exhibit host-guest structural characteristics. In CrH8, H2units are also identified. Our study unravels that CrH is a superconductor at atmospheric pressure with an estimated transition temperature (Tc) of 10.6 K and superconductivity in CrH3is enhanced by the metallic hydrogen sublattice withTcof 37.1 K at 81 GPa, very similar to the extensively studied MgB2.
A simple integrated microfluidic device for the multiplexed fluorescence-free detection of Salmonella enterica
Authors: Strachan Briony C. , Sloane Hillary S. , Houpt Eric , Lee Jacob C. , Miranian Daniel C. , Li Jingyi , Nelson Daniel A. , Landers James P.
Published: December 2015

The integration of PCR with a particle-based method for visual DNA detection allows sequence-specific detection of bacterial targets in less than 35 minutes.
Heparin sodium-selective ‘on–off’ and lysine-selective ‘off–on’ fluorescence switching of cadmium telluride quantum dots and their analytical applications
Authors: Zhang Hong Zhi , Li Rong Sheng , Wang Ni , Qi Li , Huang Cheng Zhi , Wang Jian
Published: December 2015

The fluorescence quenching of CdTe QDs could be induced by heparin sodium via hydrogen bonding, which was then recovered by lysine through a strong electrostatic interaction.
Quantitative detection of β2-adrenergic agonists using fluorescence quenching by immunochromatographic assay
Authors: Zhang Ganggang , Chen Minghui , Liu Daofeng , Xiong Yonghua , Feng Ronghua , Zhong Pinghai , Lai Weihua
Published: December 2015

β2-Adrenergic agonists are banned in China and other areas in the world.
Application of nucleic acid analogues as receptor layers for biosensors
Authors: Bala Agnieszka , Górski Łukasz
Published: December 2015

Nucleic acid-based biosensors are typically used to detect DNA or RNA fragments of clinical importance.
Supra-molecular assembly of a lumican-derived peptide amphiphile enhances its collagen-stimulating activity
Authors: Walter Merlin N. M. , Dehsorkhi Ashkan , Hamley Ian W. , Connon Che J.
Published: December 2015

Lumican derived peptide amphiphiles can stimulate cells to produce greater amounts of collagen when used in an aggregated form. Moreover this effect is maintained following dilution suggesting that the aggregated forms are kinetically trapped when formed at high concentration.
PEGylated hyperbranched polyphosphoester based nanocarriers for redox-responsive delivery of doxorubicin
Authors: Chen Chao , Zheng Pan , Cao Ziyang , Ma Yinchu , Li Jie , Qian Haisheng , Tao Wei , Yang Xianzhu
Published: December 2015

A PEGylated hyperbranched polyphosphoester containing multiple disulfide bonds (ss-hbPPE) was used and evaluated as a redox-responsive delivery system.
Catalytic asymmetric conjugate addition of isocyanoacetate to (Z)-3-substituted-2-(4-pyridyl)-acrylonitrile, a reactive class of Michael acceptor
Authors: Del Fiandra Claudia , Moccia Maria , Cerulli Valentina , Adamo Mauro F. A.
Published: December 2015

Un-substituted isocyanoacetate ethyl ester reacted with Michael acceptors 1a–m under the catalysis of Cinchona based quaternary ammonium salts providing imines 4a–m as a single diastereoisomer and in up to 94% ees.
Allosteric stabilization of the amyloid-β peptide hairpin by the fluctuating N-terminal
Authors: Xu Liang , Nussinov Ruth , Ma Buyong
Published: December 2015

Fluctuating N-terminal allosterically stabilize amyloid-β peptide hairpin by dissipating entropy into solvent.
Donor-driven conformational flexibility in a real-life catalytic dicopper(ii) peroxo complex
Authors: Hoffmann A. , Herres-Pawlis S.
Published: December 2015

The conformers of the real-life tyrosinase model [Cu2O2{HC(3-tBuPz)2(Py)}2]2+which displays catalytic hydroxylation reactivity were investigated by density functional theory (DFT) studies including second-order perturbation theory and charge decomposition analysis (CDA).
Development of the ReaxFFCBN reactive force field for the improved design of liquid CBN hydrogen storage materials
Authors: Pai Sung Jin , Yeo Byung Chul , Han Sang Soo
Published: December 2015

ReaxFFCBN can be used for the improved design of liquid carbon–boron–nitrogen hydrogen-storage materials.
The experimental equilibrium structure of acetylene
Authors: Tamassia Filippo , Cané Elisabetta , Fusina Luciano , Di Lonardo Gianfranco
Published: December 2015

The empirical equilibrium structure of acetylene has been derived by exploiting the very precise experimental rotational constants available in the literature for the 10 isotopologues relative to all the possible combinations of H, D, 12C and 13C atoms.
Origins of ultralow thermal conductivity in bulk [6,6]-phenyl-C61-butyric acid methyl ester (PCBM)
Authors: Pöhls Jan-Hendrik , Johnson Michel B. , White Mary Anne
Published: December 2015

PCBM, widely used in bulk heterojunction solar cells, has the lowest thermal conductivity of any fully dense bulk material.
A novel zinc(ii) metal–organic framework with a diamond-like structure: synthesis, study of thermal robustness and gas adsorption properties
Authors: Almáši Miroslav , Zeleňák Vladimír , Zukal Arnošt , Kuchár Juraj , Čejka Jiří
Published: December 2015

A novel 3D metal–organic framework with a diamond-like structure has been synthesised and structurally characterized. Adsorption of Ar, CO2, H2 and N2 has been studied. Heats of CO2 and H2 adsorption were calculated according to the Clausius–Clapeyron equation.
Phenolate based metallomacrocyclic xanthate complexes of CoII/CuIIand their exclusive deployment in [2 : 2] binuclear N,O-Schiff base macrocycle formation and in vitro anticancer studies
Authors: Singh Vinay K. , Kadu Rahul , Roy Hetal , Raghavaiah Pallepogu , Mobin Shaikh M.
Published: December 2015

Crystallographic andin vitroanticancer studies of phenolate based CoII/CuIIxanthate metallomacrocycles and theirN,O-Schiff base derivatives.
Theoretical study of the mechanism for the sequential N–O and N–N bond cleavage within N2O adducts of N-heterocyclic carbenes by a vanadium(iii) complex
Authors: Robinson Robert , Shaw Miranda F. , Stranger Robert , Yates Brian F.
Published: December 2015

The addition of N-heterocyclic carbene (NHC) increases the activity of N2O towards cleavage of both the N–O and N–N bonds.
Mechanical mixtures of metal oxides and phosphorus pentoxide as novel precursors for the synthesis of transition-metal phosphides
Authors: Guo Lijuan , Zhao Yu , Yao Zhiwei
Published: December 2015

New metal oxide/phosphorus pentoxide precursors for synthesis of bulk Ni2P, Co2P and MoP phosphides.
Molecular layer deposition of “titanicone”, a titanium-based hybrid material, as an electrode for lithium-ion batteries
Authors: Van de Kerckhove Kevin , Mattelaer Felix , Deduytsche Davy , Vereecken Philippe M. , Dendooven Jolien , Detavernier Christophe
Published: December 2015

Post-deposition heat and water treatments activate MLD titanicone as a lithium-ion battery anode.
Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules
Authors: Yu Ying , Li Jiancheng , Liu Weiping , Ye Qingsong , Zhu Hongping
Published: December 2015

Amino group combined P/Ge FLPs Ph2PN(R)GeCl3 (R = 2,6-iPr2C6H3 (1), 2,4,6-Me3C6H2 (2), and C6H11 (3)) and Ph2PN(2,6-iPr2C6H3)GeMe3 (4) as well as P/Sn FLP Ph2PN(2,6-iPr2C6H3)SnMe3 (5) were prepared and utilized for reactions with alkyne and aldehyde molecules.
Low temperature isolation of a dinuclear silver complex of the cyclotetraphosphane [ClP(μ-PMes*)]2
Authors: Bresien Jonas , Schulz Axel , Villinger Alexander
Published: December 2015

A thermally labile silver complex was identified as intermediate in the formation of the bicyclic phosphino–phosphonium cation [Mes*2P4Cl]+.
Rare-earth metal bis(silylamide) complexes supported by mono-dentate arylamido ligand: synthesis, reactivity, and catalyst precursors in living cis-1,4-selective polymerization of isoprene
Authors: Shi Liqin , Su Qi , Chen Jue , Li Xiaonian , Luo Yunjie
Published: December 2015

One-pot salt metathesis reaction of LnCl3, [2,6-iPr2C6H3N(SiMe3)]Li and LiN(SiHMe2)2 in 1 : 1 : 2 molar ratio gave [2,6-iPr2C6H3N(SiMe3)]Ln[N(SiHMe2)2]2(THF) (Ln = Y, Lu, La), which were highly active for cis-1,4 polymerization of isoprene in the presence of [Ph3C][B(C6F5)4] and AliBu3.
Alcohol- and water-soluble bis(tpy)quaterthiophenes with phosphonium side groups: new conjugated units for metallo-supramolecular polymers
Authors: Štenclová P. , Šichová K. , Šloufová I. , Zedník J. , Vohlídal J. , Svoboda J.
Published: December 2015

Bis(tpy)quaterthiophenes with symmetrically distributed two and four 6-bromohexyl side groups were prepared and modified by the reaction with triethylphosphine to give the corresponding ionic species.
Synthetic and reactivity studies of hetero-tri-anionic sodium zincates
Authors: Francos Javier , Kennedy Alan R. , O'Hara Charles T.
Published: December 2015

The blue, red and green spheres represent three different anions present within a series of novel hetero-trianionic sodium zincates. The syntheses and structures of the complexes are reported as well as their reactivities with important organic molecules.
Effect of an Ilex paraguariensis (yerba mate) extract on infarct size in isolated rat hearts: the mechanisms involved
Authors: González Arbeláez Luisa F. , Fantinelli Juliana C. , Ciocci Pardo Alejandro , Caldiz Claudia I. , Ríos José Luis , Schinella Guillermo R. , Mosca Susana M.
Published: December 2015

Tea made from Ilex paraguariensis (IP) dried and minced leaves is a beverage widely consumed by large populations in South America as a source of caffeine (stimulant action) and for its medicinal properties.
Improvement of green tea polyphenol with milk on skin with respect to antioxidation in healthy adults: a double-blind placebo-controlled randomized crossover clinical trial
Authors: Chiu Hui-Fang , Lin Tung-Yi , Shen You-Cheng , Venkatakrishnan Kamesh , Wang Chin-Kun
Published: December 2015

The efficacy of green tea polyphenol infused with milk (GTPM) on skin integrity in correlation with antioxidative status in healthy adults was investigated. GTPM proved to be an effective antioxidant.
Effects of polar κ receptor agonists designed for the periphery on ATP-induced Ca2+release from keratinocytes
Authors: Galla Fabian , Bourgeois Christian , Lehmkuhl Kirstin , Schepmann Dirk , Soeberdt Michael , Lotts Tobias , Abels Christoph , Ständer Sonja , Wünsch Bernhard
Published: December 2015

The very polar pyridylmethyl derivative5a(log D7.4= 1.1) represents a potent and selective full κ-opioid receptor agonist (Ki= 0.13 nM, EC50= 33 nM), which reduced the release of Ca2+-ions into the cytoplasm in human keratinocytes.
Large-scale synthesis of soluble graphitic hollow carbon nanorods with tunable photoluminescence for the selective fluorescent detection of DNA
Authors: Tripathi Kumud Malika , Sonker Amit Kumar , Bhati Anshu , Bhuyan Jagannath , Singh Anupriya , Singh Ajay , Sarkar Sabyasachi , Sonkar Sumit Kumar
Published: December 2015

A high-yield synthesis of water-soluble photoluminescent carbon nanorods is described. The wsCNRs were used for the selective determination of DNA molecules via a fluorescent turn-off/turn-on mechanism.
Effective hydrodeoxygenation of dibenzofuran by a bimetallic catalyst in water
Authors: Dong Peng , Lu Guo-ping , Cai Chun
Published: December 2015

Hydrodeoxygenation of dibenzofuran by Ni/Pt bimetallic catalyst was achieved with 99% total conversion and 88% of selectivity of cyclohexylbenzene.
Facile hydrothermal synthesis of NiS hollow microspheres with mesoporous shells for high-performance supercapacitors
Authors: Li Zhongchun , Gu Aijun , Sun Jianhua , Zhou Quanfa
Published: December 2015

Hollow NiS microspheres with excellent capacitive performance were prepared by a facile hydrothermal route without any surfactant or template.
Xanthurenic acid: a natural ionophore with high selectivity and sensitivity for potassium ions in an aqueous solution
Authors: Raju M. , Patel Tapasya J. , Nair Ratish R. , Chatterjee Pabitra B.
Published: December 2015

Synopsis: A well-known tryptophan metabolite, xanthurenic acid, a natural non-fluorescent intermediate siderophore, showed a very selective turn-on response to K+ over other competing metal ions and the detection limit of this natural ionophore was found to be 53 nM at physiological pH.
RAPTA-C incorporation and controlled delivery from MIL-100(Fe) nanoparticles
Authors: Rojas Sara , Carmona Francisco J. , Maldonado Carmen R. , Barea Elisa , Navarro Jorge A. R.
Published: December 2015

The properties of MIL-100(Fe) nanoparticles as vehicles of a non-conventional half-sandwich ruthenium(ii) metallodrug in simulated intravenous conditions have been investigated.
Synthesis and structural characterization of Zn-containing DAF-1
Authors: Pinar Ana B. , McCusker Lynne B. , Baerlocher Christian , Hwang Son-Jong , Xie Dan , Benin Annabelle I. , Zones Stacey I.
Published: December 2015

Four crystallographically distinct N,N′-di-isopropyl-imidazolium cations, fluoride anions and water molecules fill the channels of the zincoaluminophosphate Zn-DAF-1.
In situ synthesized Au–Ag nanocages on graphene oxide nanosheets: a highly active and recyclable catalyst for the reduction of 4-nitrophenol
Authors: Hong Min , Xu Lidan , Wang Fangli , Xu Shuling , Li Haibo , Li Chen-zhong , Liu Jifeng
Published: December 2015

Graphene oxide-supported hollow Au–Ag alloy nanocages were synthesized here, which exhibited short induction time, high catalytic activity and good stability against agglomeration for the reduction of 4-nitrophenol to 4-aminophenol.
Flexoelectric MEMS: towards an electromechanical strain diode
Authors: Bhaskar U. K. , Banerjee N. , Abdollahi A. , Solanas E. , Rijnders G. , Catalan G.
Published: December 2015

Ferroelectric nanocantilevers function as switchable “strain diodes”: their electromechanical response is enhanced when ferroelectricity and flexoelectricity are parallel, and diminished or even suppressed when they are antiparallel.
Safe generation and use of bromine azide under continuous flow conditions – selective 1,2-bromoazidation of olefins
Authors: Cantillo David , Gutmann Bernhard , Oliver Kappe C.
Published: December 2015

Hazardous bromine azide (BrN3) can be safely generated and reacted with olefins in a continuous flow reactor under irradiation with light.
The impact of cationic substituents in phenalen-1-one photosensitizers on antimicrobial photodynamic efficacy
Authors: Tabenski Isabelle , Cieplik Fabian , Tabenski Laura , Regensburger Johannes , Hiller Karl-Anton , Buchalla Wolfgang , Maisch Tim , Späth Andreas
Published: December 2015

Light-mediated killing of pathogens by cationic photosensitizers (PS) is a promising antimicrobial approach avoiding resistance as being present upon the use of antibiotics. In this study we focused on the impact of the substituents in phenalen-1-one PS. Photodynamic efficacy depending on positively charged moieties including a primary aliphatic, quaternary aliphatic, aromatic ammonium and a guanidinium cation was investigated against Gram-positive and Gram-negative pathogens. Considering the altered steric demand and lipophilicity of these functional groups we deduced a structure–activity relationship. SAGUA was the most potent PS in this series reaching a maximum efficacy of ≥6log10 steps of bacteria killing at a concentration of 10 μM upon irradiation with blue light (20 mW cm−2) for 60 s (1.2 J cm−2) without exhibiting inherent dark toxicity. Its guanidinium moiety may be able to form strong bidentate and directional hydrogen bonds to carboxylate groups of bacterial surfaces in addition to ionic charge attraction. This may supplement fast and effective antimicrobial activity.
Multifunctional hyperbranched polymers for CT/19F MRI bimodal molecular imaging
Authors: Wang Kewei , Peng Hui , Thurecht Kristofer J. , Puttick Simon , Whittaker Andrew K.
Published: December 2015

Multifunctional hyperbranched polymers containing iodine and fluorine were synthesised by reversible addition–fragmentation chain transfer (RAFT) polymerisation, and evaluated as novel contrast agents for CT/19F MRI bimodal molecular imaging.
Random terpolymer with a cost-effective monomer and comparable efficiency to PTB7-Th for bulk-heterojunction polymer solar cells
Authors: Jiang Tao , Yang Jie , Tao Youtian , Fan Cong , Xue Lingwei , Zhang Zhiguo , Li Hai , Li Yongfang , Huang Wei
Published: December 2015

A new random terpolymer PTB7-Th-T2 was designed and synthesized for high performance PSCs by incorporating a significantly lower-cost 2,2′-bithiophene monomer to the famous PTB7-Th skeleton.
Synthesis and evaluation of the targeted binding of RGD-containing PEGylated-PEI/DNA polyplex micelles as radiotracers for a tumor-targeting imaging probe
Authors: Prasannan Adhimoorthy , Debele Tilahun Ayane , Tsai Hsieh-Chih , Chao Chiz-Cheng , Lin Che-Ping , Hsiue Ging-Ho
Published: December 2015

Polyplex micelles with pEGFP and RGD-modified poly(ethylene glycol)-grafted polyethylenimine (E[c(RGDyK)]2-PEG-g-PEI) and were labeled with 99mTc for the in vivo study as proficient probes for molecular imaging.
Nitroalkenes as surrogates for cyanomethylium species in a one-pot synthesis of non-symmetric diarylacetonitriles
Authors: Aksenov Alexander V. , Aksenov Nicolai A. , Dzhandigova Zarema V. , Aksenov Dmitrii A. , Rubin Michael
Published: December 2015

Nitroalkenes were used as synthetic equivalents of the cyanomethylium cation in a modular, one-pot synthesis of 2-(3-indolyl)acetonitriles and 2,2-diarylacetonitriles involving electrophilic functionalization of aromatic and heteroaromatic C–H bond.
Synthesis, characterization and properties of Ce-modified S2O82−/ZnAl2O4 solid acid catalysts
Authors: Wang Jun-Xia , Wang An-Qi , Xing Yu-Lin , Zhu Zheng-Xin , Wu Xiu-Ling , Wang Yong-Qian , Yang Li-Xia
Published: December 2015

A new S2O82−/ZnAl2O4-4 wt% Ce solid acid catalyst with stable spinel structure performed the high activity and well reusability in esterification of acetic acid and n-butanol.
Enhanced thermoelectric properties of PEDOT:PSS films via a novel two-step treatment
Authors: Zhang Li , Deng Hua , Liu Siyao , Zhang Qin , Chen Feng , Fu Qiang
Published: December 2015

Large enhancement of TE properties via a novel two-step post treatment.
One-pot C–C/C–O bond formation: synthesis of spirocyclic lactones
Authors: Niharika Pedireddi , Satyanarayana Gedu
Published: December 2015

An efficient and practical method for the synthesis of novel spiro(tri or tetra)cyclic lactones via the formation of C–C and C–O bonds in one-pot is presented.
Synthesis of graphene oxide decorated with core@double-shell nanoparticles and application for Cr(vi) removal
Authors: Huang Binyan , Liu Yunguo , Li Bin , Zeng Guangming , Hu Xinjiang , Zheng Bohong , Li Tingting , Jiang Luhua , Tan Xiaofei , Zhou Lu
Published: December 2015

A novel graphene oxide composite, namely Fe3O4@SiO2@ chitosan/GO nanocomposite (MSCG) was synthesized for decontamination of Cr(vi) from aqueous solution.
Stability and controlled antibiotic release from thin films embedded with antibiotic loaded mesoporous silica nanoparticles
Authors: Tamanna Tasnuva , Bulitta Jurgen B. , Landersdorfer Cornelia B. , Cashin Veronica , Yu Aimin
Published: December 2015

Thin films incorporated with gentamicin loaded mesoporous silica nanoparticles exhibit excellent stability and controlled release profile of the encapsulated antibiotic.
Characterization of polymer/epoxy buried interfaces with silane adhesion promoters before and after hygrothermal aging for the elucidation of molecular level details relevant to adhesion
Authors: Ulrich Nathan W. , Myers John N. , Chen Zhan
Published: December 2015

Buried interfacial structures containing epoxy underfills are incredibly important in the microelectronics industry and their structures determine the interfacial adhesion properties and ultimately their lifetime.
Anti-cooperative supramolecular polymerization: a new K2–K model applied to the self-assembly of perylene bisimide dye proceeding via well-defined hydrogen-bonded dimers
Authors: Gershberg Jana , Fennel Franziska , Rehm Thomas H. , Lochbrunner Stefan , Würthner Frank
Published: December 2015

A new perylene bisimide dye self-assembles in an anti-cooperative process predominently into even numbered aggregates via dimers which could be interpreted by a newly developed K2–K model.
Sc3N@Ih-C80 as a novel Lewis acid to trap abnormal N-heterocyclic carbenes: the unprecedented formation of a singly bonded [6,6,6]-adduct
Authors: Chen Muqing , Bao Lipiao , Ai Min , Shen Wangqiang , Lu Xing
Published: December 2015

An unprecedented singly bonded [6,6,6]-adduct with an abnormal N-heterocyclic carbene structure, represents the first example of carbon-based Lewis acid–base pairs based on endohedral metallofullerenes.
WO3 with surface oxygen vacancies as an anode buffer layer for high performance polymer solar cells
Authors: Qiu Meng , Zhu Dangqiang , Bao Xichang , Wang Junyi , Wang Xuefei , Yang Renqiang
Published: December 2015

WO3 with surface oxygen vacancies can be used as an excellent anode buffer layer for high performance polymer solar cells.
Mn doped quantum dot sensitized solar cells with power conversion efficiency exceeding 9%
Authors: Wang Jin , Li Yan , Shen Qing , Izuishi Takuya , Pan Zhenxiao , Zhao Ke , Zhong Xinhua
Published: December 2015

A QD-sensitized photoanode based on Mn doped CdSe0.65Te0.35QDs, pre-synthesizedviaa “growth doping” strategy, was constructed and a power conversion efficiency of 9.40% achieved.
Unimolecular micelles of camptothecin-bonded hyperbranched star copolymers via β-thiopropionate linkage: synthesis and drug delivery
Authors: Qiu Liang , Liu Qing , Hong Chun-Yan , Pan Cai-Yuan
Published: December 2015

The pH- and redox-sensitive camptothecin-loaded unimolecular micelles display low cytotoxicity and controlled drug release in a sustained manner.
Brush-controlled oriented growth of TCNQ microwire arrays for field-effect transistors
Authors: Zhang Peng , Tang Qingxin , Tong Yanhong , Zhao Xiaoli , Wang Guorui , Liu Yichun
Published: December 2015

We demonstrate a solution-based method by a writing brush to realize the controllable fabrication of highly-oriented and large-scale TCNQ microwire arrays, which can be grown on rigid and flexible substrates.
Effect of intercalation and chromophore arrangement on the linear and nonlinear optical properties of model aminopyridine push–pull molecules
Authors: Bureš Filip , Cvejn Daniel , Melánová Klára , Beneš Ludvík , Svoboda Jan , Zima Vítězslav , Pytela Oldřich , Mikysek Tomáš , Růžičková Zdeňka , Kityk I. V. , Wojciechowski Artur , AlZayed Nasser
Published: December 2015

Three push–pull aminopyridine derivatives having D–π–A, D–(π–A)2, and D–(π–A)3 arrangements were examined as model organic chromophores capable of intercalation into inorganic layered materials.
Sodium tanshinone IIA sulfonate suppresses pulmonary fibroblast proliferation and activation induced by silica: role of the Nrf2/Trx pathway
Authors: Zhu Zhonghui , Wang Yan , Liang Di , Yang Gengxia , Chen Li , Niu Piye , Tian Lin
Published: December 2015

Alveolar macrophages are believed to induce oxidative stress via reactive oxygen species (ROS) when silica particles are inhaled. This process can contribute to the pathogenesis of silicosis, but the mechanism is unclear. A traditional Chinese herbal derivative, sodium tanshinone IIA sulfonate (STS), displays significant antioxidant effects. Here, we determine whether STS can attenuate the oxidative stress induced by silica. Traditionally, studies on the toxic effects of silica have focused on monocultures of macrophages or fibroblasts. A coculture model of macrophages (Raw 264.7) and pulmonary fibroblasts (MRC-5) was used in this study to mimic a more in vivo-like environment. We investigated the protective effects of STS on the abnormal proliferation of MRC-5 fibroblasts in an in vitro model. The results showed that fibroblast viability increased with the accumulation of intracellular ROS induced by cocultured Raw 264.7 cells after silica exposure. Treatment with STS markedly ameliorated the silica-induced cell proliferation and oxidative stress. Western blotting and immunofluorescence analysis of the Nrf2 and thioredoxin (Trx) system were conducted, and the results confirmed that treatment with STS enhanced nuclear Nrf2 accumulation and mediated antioxidant Trx system expression. These findings suggest that silica exposure might induce some level of oxidative stress in fibroblasts and that STS might augment antioxidant activities via up-regulation of the Nrf2 and Trx system pathways in MRC-5 cells in vitro.