bluuebunny/crossref_metadata_2025 huggingface dataset:
Functional mutagenesis screens reveal the ‘cap structure’ formation in disulfide-bridge free TASK channels
Authors: Goldstein Matthias , Rinné Susanne , Kiper Aytug K. , Ramírez David , Netter Michael F. , Bustos Daniel , Ortiz-Bonnin Beatriz , González Wendy , Decher Niels
Published: January 2016

Two-pore-domain potassium (K2P) channels have a large extracellular cap structure formed by two M1-P1 linkers, containing a cysteine for dimerization. However, this cysteine is not present in the TASK-1/3/5 subfamily. The functional role of the cap is poorly understood and it remained unclear whether K2P channels assemble in the domain-swapped orientation or not. Functional alanine-mutagenesis screens of TASK-1 and TRAAK were used to build an in silico model of the TASK-1 cap. According to our data the cap structure of disulfide-bridge free TASK channels is similar to that of other K2P channels and is most likely assembled in the domain-swapped orientation. As the conserved cysteine is not essential for functional expression of all K2P channels tested, we propose that hydrophobic residues at the inner leaflets of the cap domains can interact with each other and that this way of stabilizing the cap is most likely conserved among K2P channels.
A Two-Photon Fluorescent Probe for Lysosomal Thiols in Live Cells and Tissues
Authors: Fan Jiangli , Han Zhichao , Kang Yao , Peng Xiaojun
Published: January 2016

Lysosome-specific fluorescent probes are exclusive to elucidate the functions of lysosomal thiols. Moreover, two-photon microscopy offers advantages of less phototoxicity, better three dimensional spatial localization, deeper penetration depth and lower self-absorption. However, such fluorescent probes for thiols are still rare. In this work, an efficient two-photon fluorophore 1,8-naphthalimide-based probe conjugating a 2,4-dinitrobenzenesulfonyl chloride and morpholine was designed and synthesized, which exhibited high selectivity and sensitivity towards lysosomal thiols by turn-on fluorescence method quantitatively and was successfully applied to the imaging of thiols in live cells and tissues by two-photon microscopy.
Hypoxia-inducible miR-210 contributes to preeclampsia via targeting thrombospondin type I domain containing 7A
Authors: Luo Rongcan , Wang Yongqing , Xu Peng , Cao Guangming , Zhao Yangyu , Shao Xuan , Li Yu-xia , Chang Cheng , Peng Chun , Wang Yan-ling
Published: January 2016

Preeclampsia, a relatively common pregnancy disorder, is a major contributor to maternal mortality and morbidity worldwide. An elevation in microRNA-210 (miR-210) expression in the placenta has been reported to be associated with preeclampsia. Our bioinformatic analysis showed that thrombospondin type I domain containing 7A (THSD7A) is a predicted target for miR-210. The aim of this study was to determine whether miR-210 is involved in preeclampsia through its targeting of THSD7A in human placental trophoblasts. In preeclamptic placental tissues, THSD7A levels were significantly downregulated and were inversely correlated with the levels of miR-210. THSD7A was validated as a direct target of miR-210 using quantitative real time PCR (qRT-PCR), Western blotting and dual luciferase assays in HTR8/SVneo cells. Transwell insert invasion assays showed that THSD7A mediated the invasion-inhibitory effect of miR-210 in HTR8/SVneo cells. Interestingly, hypoxia markedly increased miR-210 expression while suppressing THSD7A expression in a time-dependent manner in HTR8/SVneo cells. This study provides novel data on the function of THSD7A in human placental cells and extends our knowledge of how miR-210 is involved in the development of the preeclampsia.
Hydrophilic Mineral Coating of Membrane Substrate for Reducing Internal Concentration Polarization (ICP) in Forward Osmosis
Authors: Liu Qing , Li Jingguo , Zhou Zhengzhong , Xie Jianping , Lee Jim Yang
Published: January 2016

Internal concentration polarization (ICP) is a major issue in forward osmosis (FO) as it can significantly reduce the water flux in FO operations. It is known that a hydrophilic substrate and a smaller membrane structure parameter (S) are effective against ICP. This paper reports the development of a thin film composite (TFC) FO membrane with a hydrophilic mineral (CaCO3)-coated polyethersulfone (PES)-based substrate. The CaCO3 coating was applied continuously and uniformly on the membrane pore surfaces throughout the TFC substrate. Due to the intrinsic hydrophilicity of the CaCO3 coating, the substrate hydrophilicity was significantly increased and the membrane S parameter was reduced to as low as the current best of cellulose-based membranes but without the mechanical fragility of the latter. As a result, the ICP of the TFC-FO membrane could be significantly reduced to yield a remarkable increase in water flux without the loss of membrane selectivity.
Ringing phenomenon based whispering-gallery-mode sensing
Authors: Ye Ming-Yong , Shen Mei-Xia , Lin Xiu-Min
Published: January 2016

Highly sensitive sensing is one of the most important applications of whispering-gallery-mode (WGM) microresonators, which is usually accomplished through a tunable continuous-wave laser sweeping over a whispering-gallery mode with the help of a fiber taper in a relative slow speed. It is known that if a tunable continuous-wave laser sweeps over a high quality whispering-gallery mode in a fast speed, a ringing phenomenon will be observed. The ringing phenomenon in WGM microresonators is mainly used to measure the Q factors and mode-coupling strengths. Here we experimentally demonstrate that the WGM sensing can be achieved based on the ringing phenomenon. This kind of sensing is accomplished in a much shorter time and is immune to the noise caused by the laser wavelength drift.
Predicting DNA Methylation State of CpG Dinucleotide Using Genome Topological Features and Deep Networks
Authors: Wang Yiheng , Liu Tong , Xu Dong , Shi Huidong , Zhang Chaoyang , Mo Yin-Yuan , Wang Zheng
Published: January 2016

The hypo- or hyper-methylation of the human genome is one of the epigenetic features of leukemia. However, experimental approaches have only determined the methylation state of a small portion of the human genome. We developed deep learning based (stacked denoising autoencoders, or SdAs) software named “DeepMethyl” to predict the methylation state of DNA CpG dinucleotides using features inferred from three-dimensional genome topology (based on Hi-C) and DNA sequence patterns. We used the experimental data from immortalised myelogenous leukemia (K562) and healthy lymphoblastoid (GM12878) cell lines to train the learning models and assess prediction performance. We have tested various SdA architectures with different configurations of hidden layer(s) and amount of pre-training data and compared the performance of deep networks relative to support vector machines (SVMs). Using the methylation states of sequentially neighboring regions as one of the learning features, an SdA achieved a blind test accuracy of 89.7% for GM12878 and 88.6% for K562. When the methylation states of sequentially neighboring regions are unknown, the accuracies are 84.82% for GM12878 and 72.01% for K562. We also analyzed the contribution of genome topological features inferred from Hi-C. DeepMethyl can be accessed at http://dna.cs.usm.edu/deepmethyl/.
Methadone-induced Damage to White Matter Integrity in Methadone Maintenance Patients: A Longitudinal Self-control DTI Study
Authors: Li Wei , Li Qiang , Wang Yarong , Zhu Jia , Ye Jianjun , Yan Xuejiao , Li Yongbin , Chen Jiajie , Liu Jierong , Li Zhe , Wang Wei , Liu Yijun
Published: January 2016

Methadone maintenance treatment (MMT) can induce impairments in brain function and structure, despite its clinical effectiveness. However, the effect of chronic MMT on brain white matter (WM) is not fully known. Thirty-three MMT patients underwent diffusion tensor imaging (DTI) twice – at the start of the study (Scan1) and one year later (Scan2). Tract-based spatial statistics were used to investigate changes in fractional anisotropy (FA), axial diffusivity (AD) and radial diffusivity (RD) between the two scans. The correlations between DTI indices and methadone consumption and neuropsychological status were analysed. We found significantly decreased FA, decreased AD and increased RD in Scan2 in extensive WM regions; overlapping regions were found in the left posterior limb and the retrolenticular part of internal capsule, superior and posterior corona radiata, bilateral external capsule and the right superior longitudinal fasciculus. In addition, the change of FA in the overlapping regions was positively correlated with the accumulated dosage of methadone use, the RD value in Scan2 and non-planning impulsiveness (NPI) measured at follow-up. The results suggest that methadone has damaging effects on WM integrity. The dose-dependent pattern and characteristics of the impairment may suggest new strategies for MMT.
Magnetism and exchange interaction of small rare-earth clusters; Tb as a representative
Authors: Peters Lars , Ghosh Saurabh , Sanyal Biplab , van Dijk Chris , Bowlan John , de Heer Walt , Delin Anna , Di Marco Igor , Eriksson Olle , Katsnelson Mikhail I. , Johansson Börje , Kirilyuk Andrei
Published: January 2016

Here we follow, both experimentally and theoretically, the development of magnetism in Tb clusters from the atomic limit, adding one atom at a time. The exchange interaction is, surprisingly, observed to drastically increase compared to that of bulk and to exhibit irregular oscillations as a function of the interatomic distance. From electronic structure theory we find that the theoretical magnetic moments oscillate with cluster size in exact agreement with experimental data. Unlike the bulk, the oscillation is not caused by the RKKY mechanism. Instead, the inter-atomic exchange is shown to be driven by a competition between wave-function overlap of the 5dshell and the on-site exchange interaction, which leads to a competition between ferromagnetic double-exchange and antiferromagnetic super-exchange. This understanding opens up new ways to tune the magnetic properties of rare-earth based magnets with nano-sized building blocks.
Microbubble-mediated ultrasound promotes accumulation of bone marrow mesenchymal stem cell to the prostate for treating chronic bacterial prostatitis in rats
Authors: Yi Shanhong , Han Guangwei , Shang Yonggang , Liu Chengcheng , Cui Dong , Yu Shuangjiang , Liao Bin , Ao Xiang , Li Guangzhi , Li Longkun
Published: January 2016

Chronic bacterial prostatitis (CBP) is an intractable disease. Although bone marrow mesenchymal stem cells (BMMSCs) are able to regulate inflammation in CBP, the effect of microbubble-mediated ultrasound- induced accumulation of BMMSCs on CBP remains unclear. To address this gap, a model of CBP was established in SD rats, which were then treated with BMMSCs alone (BMMSC group), BMMSCs with ultrasound (ultrasound group), BMMSCs with microbubble-mediated ultrasound (MMUS group) and compared with a healthy control group. A therapeutic-ultrasound apparatus was used to treat the prostate in the presence of circulating microbubbles and BMMSCs. The BMMSC distribution was assessed with in vivo imaging and the prostate structure with light microscopy. Real-time quantitative RT-PCR, ELISA and immunohistochemistry were used to assess the expressions of TNF-α and IL-1β. More BMMSCs were found in the prostate in the MMUS group than in the CBP, ultrasound and BMMSC groups. Inflammatory cell infiltration, fibrous tissue hyperplasia and tumor-like epithelial proliferation were significantly reduced in the MMUS group, as were the mRNA and protein expressions of TNF-α and IL-1β. Microbubble-mediated ultrasound-induced accumulation of BMMSCs can inhibit inflammation and decrease TNF-α and IL-1β expressions in the prostate of CBP rats, suggesting that this method may be therapeutic for CPB.
Three-dimensional skeleton networks of graphene wrapped polyaniline nanofibers: an excellent structure for high-performance flexible solid-state supercapacitors
Authors: Hu Nantao , Zhang Liling , Yang Chao , Zhao Jian , Yang Zhi , Wei Hao , Liao Hanbin , Feng Zhenxing , Fisher Adrian , Zhang Yafei , Xu Zhichuan J.
Published: January 2016

Thin, robust, lightweight and flexible supercapacitors (SCs) have aroused growing attentions nowadays due to the rapid development of flexible electronics. Graphene-polyaniline (PANI) hybrids are attractive candidates for high performance SCs. In order to utilize them in real devices, it is necessary to improve the capacitance and the structure stability of PANI. Here we report a hierarchical three-dimensional structure, in which all of PANI nanofibers (NFs) are tightly wrapped inside reduced graphene oxide (rGO) nanosheet skeletons, for high-performance flexible SCs. The as-fabricated film electrodes with this unique structure showed a highest gravimetric specific capacitance of 921 F/g and volumetric capacitance of 391 F/cm3. The assembled solid-state SCs gave a high specific capacitance of 211 F/g (1 A/g), a high area capacitance of 0.9 F/cm2 and a competitive volumetric capacitance of 25.6 F/cm3. The SCs also exhibited outstanding rate capability (~75% retention at 20 A/g) as well as excellent cycling stability (100% retention at 10 A/g for 2000 cycles). Additionally, no structural failure and loss of performance were observed under the bending state. This structure design paves a new avenue for engineering rGO/PANI or other similar hybrids for high performance flexible energy storage devices.
All-optical central-frequency-programmable and bandwidth-tailorable radar
Authors: Zou Weiwen , Zhang Hao , Long Xin , Zhang Siteng , Cui Yuanjun , Chen Jianping
Published: January 2016

Radar has been widely used for military, security and rescue purposes and modern radar should be reconfigurable at multi-bands and have programmable central frequencies and considerable bandwidth agility. Microwave photonics or photonics-assisted radio-frequency technology is a unique solution to providing such capabilities. Here, we demonstrate an all-optical central-frequency-programmable and bandwidth-tailorable radar architecture that provides a coherent system and utilizes one mode-locked laser for both signal generation and reception. Heterodyning of two individually filtered optical pulses that are pre-chirped via wavelength-to-time mapping generates a wideband linearly chirped radar signal. The working bands can be flexibly tailored with the desired bandwidth at a user-preferred carrier frequency. Radar echoes are first modulated onto the pre-chirped optical pulse, which is also used for signal generation and then stretched in time or compressed in frequency several fold based on the time-stretch principle. Thus, digitization is facilitated without loss of detection ability. We believe that our results demonstrate an innovative radar architecture with an ultra-high-range resolution.
Mechanism of substrate recognition by the novel Botulinum Neurotoxin subtype F5
Authors: Guo Jiubiao , Chan Edward Wai Chi , Chen Sheng
Published: January 2016

Botulinum Neurotoxins (BoNTs) are the causative agents of botulism, which act by potently inhibiting the neurotransmitter release in motor neurons. Seven serotypes of BoNTs designated as BoNT/A-G have been identified. Recently, two novel types of Botulinum neurotoxins, which cleave a novel scissile bond, L54-E55, of VAMP-2 have been reported including BoNT/F subtype F5 and serotype H. However, little has been known on how these BoNTs recognize their substrates. The present study addressed for the first time the unique substrate recognition mechanism of LC/F5. Our data indicated that the optimal peptide required for efficient LC/F5 substrate cleavage is VAMP-2 (20–65). Interestingly, the overall mode of substrate recognition adopted by LC/F5 was similar to LC/F1, except that its recognition sites were shifted one helix toward the N-terminus of VAMP-2 when compared to that of LC/F1. The composition of LC/F5 pockets were found to have changed accordingly to facilitate specific recognition of these new sites of VAMP-2, including the P2′, P1′, P2, P3, B3, B2 and B1 sites. The study provides direct evidence of the evolutionary adaption of BoNT to recognize its substrate which is useful for effective antitoxin and inhibitor development.
Achromatic flat optical components via compensation between structure and material dispersions
Authors: Li Yang , Li Xiong , Pu Mingbo , Zhao Zeyu , Ma Xiaoliang , Wang Yanqin , Luo Xiangang
Published: January 2016

Chromatism causes great quality degradation of the imaging system, especially for diffraction imaging. The most commonly method to overcome chromatism is refractive/diffractive hybrid optical system which, however, sacrifices the light weight and integration property of diffraction elements. A method through compensation between the structure dispersion and material dispersion is proposed to overcome the chromatism in flat integrated optical components. This method is demonstrated by making use of silver nano-slits waveguides to supply structure dispersion of surface plasmon polaritons (SPP) in metal-insulator-metal (MIM) waveguide to compensate the material dispersion of metal. A broadband deflector and lens are designed to prove the achromatic property of this method. The method demonstrated here may serve as a solution of broadband light manipulation in flat integrated optical systems.
Surface activation of CNT Webs towards layer by layer assembly of biosensors
Authors: Musameh Mustafa , Huynh Chi P. , Hickey Mark , Kyratzis Ilias Louis
Published: January 2016

Several surface activation methods such as chemical, electrochemical and plasma have been used for enhancing the electrochemical performance of carbon based electrodes for various applications.
Headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography-mass spectrometric (GC-MS) analysis of volatile profiles during the stir-frying process of malt
Authors: Xu Yao , Zhou Xia , Zhang Dayong , Lan Zelun , Zhang Yun , Wan Jun
Published: January 2016

The purpose of this study was to analyze the relationship between volatile profile variations of malt and its stir-fried forms, so as to sum up odor changes in the stir-frying process.
Disassembly of micelles to impart donor and acceptor gradation to enhance organic solar cell efficiency
Authors: Arulkashmir Arulraj , Krishnamoorthy Kothandam
Published: January 2016

A low surface energy HTL imparted gradation between the donor and acceptor and improved the efficiency of organic solar cells.
Artificial tongue based on metal–biomolecule coordination polymer nanoparticles
Authors: Pu Fang , Ran Xiang , Ren Jinsong , Qu Xiaogang
Published: January 2016

An array-based recognition system (artificial tongue) was constructed based on metal–biomolecule coordination polymer nanoparticles.
Effects of flux treatment on morphology of single-crystalline BaNbO2N particles
Authors: Kodera Masanori , Katayama Masao , Hisatomi Takashi , Minegishi Tsutomu , Domen Kazunari
Published: January 2016

Single crystalline BaNbO2N particles with crystal habits were obtained by appropriate flux treatments.
Shielding the chemical reactivity using graphene layers for controlling the surface properties of carbon materials
Authors: Sedykh A. E. , Gordeev E. G. , Pentsak E. O. , Ananikov V. P.
Published: January 2016

Graphene can efficiently shield chemical interactions and gradually decrease the binding to reactive defect areas.
Characterisation of the solid electrolyte interface during lithiation/delithiation of germanium in an ionic liquid
Authors: Lahiri Abhishek , Borisenko Natalia , Borodin Andriy , Olschewski Mark , Endres Frank
Published: January 2016

The characterisation of the SEI layer revealed that LiTFSI–[Py1,4] is a relatively good ionic liquid based electrolyte for lithium batteries. However modifications in the electrolyte or a different anion might be necessary to improve the stability and composition of the SEI layer.
Control of local structures and photophysical properties of zinc porphyrin-based supramolecular assemblies structurally organized by regioselective ligand coordination
Authors: Sakuma Takao , Sakai Hayato , Araki Yasuyuki , Wada Takehiko , Hasobe Taku
Published: January 2016

We discuss the nano- and micro-sized zinc porphyrin MOFs with DABCO to prepare the regioselective coordination-controlled supramolecular assemblies between the pillar ligand and corresponding two accessible metals.
Understanding synergetic effects of Zn and Rh–Cr promotion to wide-bandgap Ga, Ta and Ti oxides in photocatalytic water splitting
Authors: Bazzo Antonio , Urakawa Atsushi
Published: January 2016

Zn and Rh–Cr promotion of photocatalytic materials as a versatile and valuable strategy to improve UV-light driven overall water splitting activity and the mechanisms of the promotional functions are uncovered.
Effect of SO2 on NH3 oxidation over a Cu-SAPO-34 SCR catalyst
Authors: Jangjou Yasser , Ali Mustafa , Chang Qingyun , Wang Di , Li Junhui , Kumar Ashok , Epling William S.
Published: January 2016

The impact of SO2 on NH3 oxidation, an undesired side reaction that can occur during NH3-SCR, was studied using Cu-SAPO-34.
Formation of malondialdehyde (MDA), 4-hydroxy-2-hexenal (HHE) and 4-hydroxy-2-nonenal (HNE) in fish and fish oil during dynamic gastrointestinal in vitro digestion
Authors: Larsson Karin , Harrysson Hanna , Havenaar Robert , Alminger Marie , Undeland Ingrid
Published: January 2016

Reactive lipid peroxidation products (MDA, HHE and HNE) are formed during dynamic gastrointestinalin vitrodigestion of fish and fish oil.
Life cycle inherent toxicity: a novel LCA-based algorithm for evaluating chemical synthesis pathways
Authors: Eckelman Matthew J.
Published: January 2016

Life cycle inherent toxicity adapts the computational framework of LCA to measure chemical hazard over an entire synthesis chain.
Impact of the chemical form of different fluorine sources on the formation of AlF molecules in a C2H2/N2O flame
Authors: Acker Jörg , Bücker Stefan , Hoffmann Volker
Published: January 2016

The positions for the appearance of AlF molecules in a C2H2/N2O flame and the corresponding sensitivity of the AlF molecular absorbance depend on the bonding state of the used fluorine source HF, H2SiF6, HBF4 and CF3COOH.
Down-regulation of MALAT1 inhibits cervical cancer cell invasion and metastasis by inhibition of epithelial–mesenchymal transition
Authors: Sun Ruili , Qin Changfei , Jiang Binyuan , Fang Shujuan , Pan Xi , Peng Li , Liu Zhaoyang , Li Wenling , Li Yuehui , Li Guancheng
Published: January 2016

MALAT1, a member of the long non-coding RNA (lncRNA) family, has been reported to be highly enriched in many kinds of cancers and to be a metastasis marker and a prognostic factor.
Post-polymerisation modification of bio-derived unsaturated polyester resins via Michael additions of 1,3-dicarbonyls
Authors: Farmer T. J. , Clark J. H. , Macquarrie D. J. , Ogunjobi J. K. , Castle R. L.
Published: January 2016

A rapid (5 min), solventless and heterogeneously catalysed methodology is demonstrated for the first time for the Michael addition of 1,3-dicarbonyls to biomass derived unsaturated polyesters.
Multicompartment morphologies self-assembled from fluorinated ABC triblock terpolymers: the effects of flexible and rigid hydrophobic moieties
Authors: Li Sen , He Jinlin , Zhang Mingzu , Wang Hairong , Ni Peihong
Published: January 2016

Two kinds of fluorinated ABC triblock terpolymers have been prepared by oxyanion-initiated polymerization, and the effects of flexible and rigid polyolefin moieties on their self-assembled multicompartment morphologies were investigated.
Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal–organic framework: structural, EPR, and O2adsorption analysis
Authors: Gallagher Audrey T. , Kelty Margaret L. , Park Jesse G. , Anderson John S. , Mason Jarad A. , Walsh James P. S. , Collins Shenell L. , Harris T. David
Published: January 2016

The binding of O2at a four-coordinate cobaltous porphyrin site within a metal–organic framework is examined through single-crystal X-ray diffraction, EPR spectroscopy, and O2adsorption measurements.
Pd(ii)-catalyzed β-C–H arylation of O-methyl ketoximes with iodoarenes
Authors: Mu Yucheng , Tan Xiaodong , Zhang Yemin , Jing Xiaobi , Shi Zhuangzhi
Published: January 2016

A Pd(ii)-catalyzed selective β-arylation of O-methyl ketoximes was developed using iodoarenes as the coupling partners.
Supercritical synthesis of a magnetite-reduced graphene oxide hybrid with enhanced adsorption properties toward cobalt & strontium ions
Authors: Tayyebi Ahmad , Outokesh Mohammad
Published: January 2016

The current study presents a supercritical synthesis of magnetite-reduced graphene oxide (M-RGO) in methanol media, in which Fe3O4nanoparticles are simultaneously formed, surface modified and decorated on the surface of the reduced graphene oxide.
Polarity adjustment of a nanosilica-functionalized polyamine modified by ionic liquid for removal of Cu2+ from aqueous solutions
Authors: Vafaeezadeh Majid , Hashemi Mohammad Mahmoodi , Ghavidel Nasim
Published: January 2016

Confinement of the amine-based ionic liquid on the surface of silica–polyamine has been introduced as a new material with improved metal removal capacity.
Single step in situ formation of porous zinc oxide/PMMA nanocomposites by pulsed laser irradiation: kinetic aspects and mechanisms
Authors: Morselli Davide , Scarpellini Alice , Athanassiou Athanassia , Fragouli Despina
Published: January 2016

Simultaneous localizedin situformation of ZnO nanoparticles and porous structure in PMMA matrix by laser induced process.
Puncture characterization of multilayered polypropylene homopolymer/ethylene 1-octene copolymer sheets
Authors: He Guansong , Zhang Fengshun , Yu Huaning , Li Jiang , Guo Shaoyun
Published: January 2016

Both the puncture strength and energy of the multilayered sheets were significantly higher than those of the conventional blend.
A lanthanide metal–organic framework (MOF-76) for adsorbing dyes and fluorescence detecting aromatic pollutants
Authors: Lian Xiao , Yan Bing
Published: January 2016

A series of nano-sized luminescent lanthanide metal–organic frameworks (Ln-MOFs) are developed for application in dye adsorption and fluorescence sensing for monoaromatic hydrocarbons (BTEX).
High efficiency of mechanosynthesized Zn-based metal–organic frameworks in photodegradation of congo red under UV and visible light
Authors: Masoomi Mohammad Yaser , Bagheri Minoo , Morsali Ali
Published: January 2016

Three zinc(ii) MOFs containing azine-functionalized pores were studied for degradation of congo red from aqueous solutions under UV and/or visible light irradiation without auxiliary oxidants such as H2O2.
Adsorption of Congo red from water with spindle-like boehmite: the role of lattice plane (020)
Authors: Li Guangci , Sun Yuanyuan , Li Xuebing , Liu Yunqi
Published: January 2016

Spindle-like boehmite with a highly efficient adsorption performance for Congo red (CR) from water is prepared via a hydrothermal process, and the adsorption rate of CR strongly depends on the lattice plane (020) of boehmite crystallites.
Enediyne as π linker in D–π–A dyes for dye-sensitized solar cells
Authors: Wang Youfu , Dong Luhua , Zheng Zhiwei , Li Xing , Xiong Rulin , Hua Jianli , Hu Aiguo
Published: January 2016

Three enediyne-bridged D–π–A dyes with different donor position and number are synthesized and their performance on DSSCs are investigated.
Selective separation and identification of metabolite groups of Polygonum cuspidatum extract in rat plasma using dispersion solid-phase extraction by magnetic molecularly imprinted polymers coupled with LC/Q-TOF-MS
Authors: Yang Zaiyue , Cai Qizhi , Chen Ning , Zhou Xuemin , Hong Junli
Published: January 2016

In this work, magnetic molecularly imprinted polymers (MMIPs) were successfully prepared for specific recognition and selective enrichment of metabolite groups of Polygonum cuspidatum extract in rat plasma.
794 nm excited core–shell upconversion nanoparticles for optical temperature sensing
Authors: Jiang Guicheng , Zhou Shaoshuai , Wei Xiantao , Chen Yonghu , Duan Changkui , Yin Min , Yang Bin , Cao Wenwu
Published: January 2016

Nd3+ sensitized core–shell upconversion nanoparticles (UNCPs) are promising candidates for application in optical temperature sensors at a biocompatible excitation wavelength (794 nm).
Multivalent photo-crosslinkable coumarin-containing polybenzoxazines exhibiting enhanced thermal and hydrophobic surface properties
Authors: Lin Ruey-Chorng , Mohamed Mohamed Gamal , Hsu Kuo-Chih , Wu Jia-Yu , Jheng Yu-Ru , Kuo Shiao-Wei
Published: January 2016

Mono-, bi-, and trivalent coumarin-containing benzoxazine monomers were synthesized by facile Mannich reactions of 4-methyl-7-hydroxycoumarin and paraformaldehyde with aniline, bisphenol A–NH2, and 1,3,5-tri(4-aminobenzene).
Celebrating Soft Matter's 10th Anniversary: Simplicity in complexity – towards a soft matter physics of caramel
Authors: Weir Simon , Bromley Keith M. , Lips Alex , Poon Wilson C. K.
Published: January 2016

Master rheological spectra of our caramels over 12 orders of magnitude of frequency.
Monte Carlo study of the frame, fluctuation and internal tensions of fluctuating membranes with fixed area
Authors: Shiba Hayato , Noguchi Hiroshi , Fournier Jean-Baptiste
Published: January 2016

Three types of surface tensions are investigated for lipid membranes using a lattice Monte Carlo simulation: the internal tension,σ, conjugated to the real membrane area, the mechanical frame tension,τ, conjugated to the projected area, and the “fluctuation tension”,r, obtained from the height fluctuation spectrum.
Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries
Authors: Kitschke Philipp , Walter Marc , Rüffer Tobias , Seifert Andreas , Speck Florian , Seyller Thomas , Spange Stefan , Lang Heinrich , Auer Alexander A. , Kovalenko Maksym V. , Mehring Michael
Published: January 2016

Porous Ge@C materials as anode materials for Li-ion batteries were synthesized by the novel concept of twin polymerization starting from germylenes based on salicyl alcoholates.
Pure inorganic D–A type polyoxometalate/reduced graphene oxide nanocomposite for the photoanode of dye-sensitized solar cells
Authors: Shan Chun-Hui , Zhang Hong , Chen Wei-Lin , Su Zhong-Min , Wang En-Bo
Published: January 2016

A SiW9Co3/RGO nanocomposite has been employed in dye-sensitized solar cells (DSSCs), for the first time. The performance of a photoanode made of the SiW9Co3/RGO nanocomposite mixed with P25 powder is improved by 28.05% compared to a pure P25-based DSSC.
A fluorescent molecular rotor showing vapochromism, aggregation-induced emission, and environmental sensing in living cells
Authors: Koenig Matthias , Storti Barbara , Bizzarri Ranieri , Guldi Dirk M. , Brancato Giuseppe , Bottari Giovanni
Published: January 2016

We present here a novel fluorescent molecular rotor which presents vapochromism, aggregation-induced emission, and environmental sensing in living cells.
Trichloroethylene-induced hypersensitivity dermatitis was associated with hepatic metabolic enzyme genes and immune-related genes
Authors: Xu Xinyun , Ke Yuebin , Yuan Jianhui , Liu Yuefeng , Li Xueyu , Wu Desheng , Qin Xiaoyun , Mao Jiyan , Mao Kanlang
Published: January 2016

Trichloroethylene (TCE) is one of the common organic solvents that has been widely used in cleaning or degreasing of metal products and electronic products.
Synthesis and evaluation of membrane permeabilizing properties of cationic amphiphiles derived from the disaccharide trehalose
Authors: Shaul P. , Benhamou R. I. , Herzog I. M. , Louzoun Zada S. , Ebenstein Y. , Fridman M.
Published: January 2016

Cationic amphiphiles derived from trehalose have been synthesized; trehalose analogues substituted withn-pentyl orn-hexyl ethers exhibited membrane disrupting activities against clinically important Gram positive and Gram negative bacteria and fungi.
Effect of heterocyclic capping groups on the self-assembly of a dipeptide hydrogel
Authors: Martin Adam D. , Wojciechowski Jonathan P. , Warren Holly , in het Panhuis Marc , Thordarson Pall
Published: January 2016

In this work it is shown that the selection of heterocyclic capping group for a dipeptide hydrogel affects the self-assembly pathway taken, resulting in differences in mechanical strength, network structure and thixotropic properties.
Dye functionalized carbon nanotubes for photoelectrochemical water splitting – role of inner tubes
Authors: Cheng Yi , Memar Amir , Saunders Martin , Pan Jian , Liu Chang , Gale Julian D. , Demichelis Raffaella , Shen Pei Kang , Jiang San Ping
Published: January 2016

Dye functionalized double- and triple-walled carbon nanotubes are effective photoanodes for water splitting without the attachment of semiconductor and water oxidation catalysts.
Characterization of a double-CRD-mutated Gal-8 recombinant protein that retains co-stimulatory activity on antigen-specific T-cell response
Authors: Schroeder Matías Nicolás , Tribulatti María Virginia , Carabelli Julieta , André-Leroux Gwenaëlle , Caramelo Julio Javier , Cattaneo Valentina , Campetella Oscar
Published: January 2016

Galectins (Gals) constitute a family of mammalian lectins with affinity for β-galactosides, characterized by the presence of conserved CRDs (carbohydrate-recognition domains). We have found previously that Gal-8, from the tandem-repeat group with two linked CRDs, exerts two separate actions on CD4+ T-cells: antigen-independent proliferation and, at lower concentration, antigen-specific co-stimulation. Whereas proliferation can be ascribed to the pro-inflammatory role of Gal-8, the co-stimulatory activity of borderline T-cell-specific responses allows the proposal of Gal-8 as an adjuvant in vaccination. To study the relevance of glycan–lectin interaction to these T-cell activities, we generated a double-mutated protein (Gal-8mut) by replacing canonical arginine residues on each CRD, so as to abolish sugar-binding capacity. As expected, Gal-8mut was unable to bind to lactosyl-Sepharose, confirming that lactose recognition was precluded; however, preservation of lectin activity was still evident since Gal-8mut displayed haemoagglutinatory effects and binding capacity to the T-cell surface. To search for glycan affinity, a glycan microarray analysis was conducted which revealed that Gal-8mut lost most low- and intermediate-, but retained high-, affinity interactions, mainly to polylactosamines and blood group antigens. These findings were supported further by molecular modelling. Regarding biological activity, Gal-8mut was unable to induce T-cell proliferation, but efficiently co-stimulated antigen-specific responses, both in vitro and in vivo. Therefore Gal-8mut represents a useful tool to dissect the specificities of lectin–glycan interactions underlying distinctive Gal-8 activities on T-cell biology. Moreover, given its distinguishing properties, Gal-8mut could be used to enhance borderline immune responses without the non-specific pro-inflammatory activity or other potential adverse effects.
Susceptibility of brown adipocytes to pro-inflammatory cytokine toxicity and reactive oxygen species
Authors: Rebiger Lars , Lenzen Sigurd , Mehmeti Ilir
Published: January 2016

Brown adipose tissue (BAT) cells have a very high oxidative capacity. On the other hand, in obesity and obesity-related diabetes, levels of pro-inflammatory cytokines are elevated, which might promote BAT dysfunction and consequently impair carbohydrate metabolism and thereby exacerbate cellular dysfunction and promote diabetes progression. Therefore, the antioxidative enzyme status of a brown adipocyte cell line and its susceptibility towards pro-inflammatory cytokines, which participate in the pathogenesis of diabetes, and reactive oxygen species (ROS) were analysed. Mature brown adipocytes exhibited significantly higher levels of expression of mitochondrially and peroxisomally located antioxidative enzymes compared with non-differentiated brown adipocytes. Pro-inflammatory cytokines induced a significant decrease in the viability of differentiated brown adipocytes, which was accompanied by a massive ROS production and down-regulation of BAT-specific markers, such as uncoupling protein 1 (UCP-1) and β-Klotho. Taken together, the results strongly indicate that pro-inflammatory cytokines cause brown adipocyte dysfunction and death through suppression of BAT-specific proteins, especially of UCP-1 and β-Klotho, and consequently increased oxidative stress.
Fenofibrate increases cardiac autophagy via FGF21/SIRT1 and prevents fibrosis and inflammation in the hearts of Type 1 diabetic mice
Authors: Zhang Jingjing , Cheng Yanli , Gu Junlian , Wang Shudong , Zhou Shanshan , Wang Yuehui , Tan Yi , Feng Wenke , Fu Yaowen , Mellen Nicholas , Cheng Rui , Ma Jianxing , Zhang Chi , Li Zhanquan , Cai Lu
Published: January 2016

Fenofibrate (FF), as a peroxisome-proliferator-activated receptor α (PPARα) agonist, has been used clinically for decades to lower lipid levels. In the present study, we examined whether FF can be repurposed to prevent the pathogenesi of the heart in Type 1 diabetes and to describe the underlying mechanism of its action. Streptozotocin (STZ)-induced diabetic mice and their age-matched control mice were treated with vehicle or FF by gavage every other day for 3 or 6 months. FF prevented diabetes-induced cardiac dysfunction (e.g. decreased ejection fraction and hypertrophy), inflammation and remodelling. FF also increased cardiac expression of fibroblast growth factor 21 (FGF21) and sirtuin 1 (Sirt1) in non-diabetic and diabetic conditions. Deletion of FGF21 gene (FGF21-KO) worsened diabetes-induced pathogenic effects in the heart. FF treatment prevented heart deterioration in the wild-type diabetic mice, but could not do so in the FGF21-KO diabetic mice although the systemic lipid profile was lowered in both wild-type and FGF21-KO diabetic mice. Mechanistically, FF treatment prevented diabetes-impaired autophagy, reflected by increased microtubule-associated protein 1A/1B-light chain 3, in the wild-type diabetic mice but not in the FGF21-KO diabetic mice. Studies with H9C2 cells in vitro demonstrated that exposure to high glucose (HG) significantly increased inflammatory response, oxidative stress and pro-fibrotic response and also significantly inhibited autophagy. These effects of HG were prevented by FF treatment. Inhibition of either autophagy by 3-methyladenine (3MA) or Sirt1 by sirtinol (SI) abolished FF's prevention of HG-induced effects. These results suggested that FF could prevent Type 1 diabetes-induced pathological and functional abnormalities of the heart by increasing FGF21 that may up-regulate Sirt1-mediated autophagy.
Surface plasmon resonance immunoassay for cortisol determination with a self‐assembling denaturalised bovine serum albumin layer on surface plasmon resonance chip
Authors: Chen Xing , Zhang Lulu , Cui Dafu
Published: January 2016

A surface modification method has been developed to fabricate surface plasmon resonance (SPR) chip for small molecule determination. A novel denaturalised bovine serum albumin (dBSA)‐SPR‐chip was fabricated by a self‐assembling method, while a dextran‐SPR‐chip was prepared by using a traditional method. The surface morphologies of the two chips were investigated by atomic force microscopy technology and their optical properties were characterised by using our home‐made SPR analytical instrument. The surface binding capacity of the dBSA‐SPR‐chip is 2.5 times higher than that of the dextran‐SPR‐chip. On the basis of the experiments of immune reactions between cortisol antibody and cortisol derivative, the sensitivity of the dBSA‐SPR‐chip is much higher than that of the dextran‐SPR‐based SPR‐chip. The antibody concentration was optimised at about 10 µg/ml in order to obtain high sensitivity, which was used in the followed inhibition immunoassays. The lowest detection limit for cortisol is 1 ng/ml with a linear range of 5–100 ng/ml by using the dBSA‐SPR‐chip. These dBSA‐SPR‐chips can also be applied to detect other small molecules based on the indirect inhibitive immunoassay.
Error compensation in atomic force microscope scanned images
Authors: Rana Md. Sohel , Pota Hemanshu R. , Petersen Ian R.
Published: January 2016

The design of a multi‐input–multi‐output (MIMO) model predictive control (MPC) framework for reducing errors in images scanned by an atomic force microscope (AFM) is presented. To improve the damping capability of the proposed control framework, it is augmented with a damping compensator. The MIMO form of this control framework compensates the tilted natures of the scanned images by compensating the cross‐coupling effect while its augmented damping compensator reduces the vibration effect by improving damping in the resonant mode of the AFM's piezoelectric tube scanner. Experimental results using the existing AFM proportional–integral controller and single‐input–single‐output MPC are also presented to show the effectiveness of the MIMO MPC controller. This Letter is an extension of an authors’ earlier published work.
Constructing diabatic representations using adiabatic and approximate diabatic data – Coping with diabolical singularities
Authors: Zhu Xiaolei , Yarkony David R.
Published: January 2016

We have recently introduced a diabatization scheme, which simultaneously fits and diabatizes adiabatic ab initio electronic wave functions, Zhu and Yarkony J. Chem. Phys. 140, 024112 (2014). The algorithm uses derivative couplings in the defining equations for the diabatic Hamiltonian, Hd, and fits all its matrix elements simultaneously to adiabatic state data. This procedure ultimately provides an accurate, quantifiably diabatic, representation of the adiabatic electronic structure data. However, optimizing the large number of nonlinear parameters in the basis functions and adjusting the number and kind of basis functions from which the fit is built, which provide the essential flexibility, has proved challenging. In this work, we introduce a procedure that combines adiabatic state and diabatic state data to efficiently optimize the nonlinear parameters and basis function expansion. Further, we consider using direct properties based diabatizations to initialize the fitting procedure. To address this issue, we introduce a systematic method for eliminating the debilitating (diabolical) singularities in the defining equations of properties based diabatizations. We exploit the observation that if approximate diabatic data are available, the commonly used approach of fitting each matrix element of Hd individually provides a starting point (seed) from which convergence of the full Hd construction algorithm is rapid. The optimization of nonlinear parameters and basis functions and the elimination of debilitating singularities are, respectively, illustrated using the 1,2,3,41A states of phenol and the 1,21A states of NH3, states which are coupled by conical intersections.
Investigation of ion beam space charge compensation with a 4-grid analyzer
Authors: Ullmann C. , Adonin A. , Berezov R. , Chauvin N. , Delferrière O. , Fils J. , Hollinger R. , Kester O. , Senée F. , Tuske O.
Published: January 2016

Experiments to investigate the space charge compensation of pulsed high-current heavy ion beams are performed at the GSI ion source text benches with a 4-grid analyzer provided by CEA/Saclay. The technical design of the 4-grid analyzer is revised to verify its functionality for measurements at pulsed high-current heavy ion beams. The experimental investigation of space charge compensation processes is needed to increase the performance and quality of current and future accelerator facilities. Measurements are performed directly downstream a triode extraction system mounted to a multi-cusp ion source at a high-current test bench as well as downstream the post-acceleration system of the high-current test injector (HOSTI) with ion energies up to 120 keV/u for helium and argon. At HOSTI, a cold or hot reflex discharge ion source is used to change the conditions for the measurements. The measurements were performed with helium, argon, and xenon and are presented. Results from measurements with single aperture extraction systems are shown.
Suppression of decay instability of the non-resonant beat wave excited by two counter-propagating x-mode lasers in magnetized plasma
Authors: Verma Kanika , Sajal Vivek , Kumar Ravindra , Sharma Navneet K.
Published: January 2016

The decay instability of non-resonant beat mode is investigated in homogeneous, hot, and collision less plasma having transverse static magnetic field. Two counter-propagating X-mode lasers with frequency difference ω1∼ω2≥2ωp and wave numbers k→1 and k→2 drive a non-resonant space charge beat wave at phase matching conditions of frequency ω0=ω1∼ω2 and wave numbers k→0=k→1+k→2. The driven beat wave acts as a pump for decay instability and parametrically excites a pair of lower hybrid wave (ω,k→) and sideband upper hybrid wave (ω3,k→3) propagating in sideward direction so that momentum remains conserved. The sideband wave couples with the driver beat wave to exert ponderomotive force on plasma electrons at frequency ω=ω0+ω3. The oscillatory motion of plasma electrons due to ponderomotive force and lower hybrid wave causes density perturbation in plasma, which couples with oscillating beat mode by feedback mechanism and gives rise to a sideband wave at resonance. The maximum growth rate is achieved at scattering angels θs∼30° and θs∼150°. The growth rate becomes half by changing applied magnetic field from ∼90 T to ∼270 T. The suppression of decay instability can be beneficial for parametric excitation of fast plasma wave (coupled with slow plasma wave) by two counter-propagating lasers for electron acceleration.
A fingerprint based metric for measuring similarities of crystalline structures
Authors: Zhu Li , Amsler Maximilian , Fuhrer Tobias , Schaefer Bastian , Faraji Somayeh , Rostami Samare , Ghasemi S. Alireza , Sadeghi Ali , Grauzinyte Migle , Wolverton Chris , Goedecker Stefan
Published: January 2016

Measuring similarities/dissimilarities between atomic structures is important for the exploration of potential energy landscapes. However, the cell vectors together with the coordinates of the atoms, which are generally used to describe periodic systems, are quantities not directly suitable as fingerprints to distinguish structures. Based on a characterization of the local environment of all atoms in a cell, we introduce crystal fingerprints that can be calculated easily and define configurational distances between crystalline structures that satisfy the mathematical properties of a metric. This distance between two configurations is a measure of their similarity/dissimilarity and it allows in particular to distinguish structures. The new method can be a useful tool within various energy landscape exploration schemes, such as minima hopping, random search, swarm intelligence algorithms, and high-throughput screenings.
Dispersion dipoles for coupled Drude oscillators
Authors: Odbadrakh Tuguldur T. , Jordan Kenneth D.
Published: January 2016

We present the dispersion-induced dipole moments of coupled Drude oscillators obtained from two approaches. The first approach evaluates the dipole moment using the second-order Rayleigh-Schrödinger perturbation theory wave function allowing for dipole-dipole and dipole-quadrupole coupling. The second approach, based on response theory, employs an integral of the dipole-dipole polarizability of one oscillator and the dipole-dipole-quadrupole hyperpolarizability of the other oscillator over imaginary frequencies. The resulting dispersion dipoles exhibit an R−7 dependence on the separation between the two oscillators and are connected to the leading-order C6/R6 dispersion energy through the electrostatic Hellmann-Feynman theorem.