bluuebunny/crossref_metadata_2025 huggingface dataset:
Structural basis of lantibiotic recognition by the nisin resistance protein from Streptococcus agalactiae
Authors: Khosa Sakshi , Frieg Benedikt , Mulnaes Daniel , Kleinschrodt Diana , Hoeppner Astrid , Gohlke Holger , Smits Sander H. J.
Published: January 2016

Lantibiotics are potent antimicrobial peptides. Nisin is the most prominent member and contains five crucial lanthionine rings. Some clinically relevant bacteria express membrane-associated resistance proteins that proteolytically inactivate nisin. However, substrate recognition and specificity of these proteins is unknown. Here, we report the first three-dimensional structure of a nisin resistance protein from Streptococcus agalactiae (SaNSR) at 2.2 Å resolution. It contains an N-terminal helical bundle and protease cap and core domains. The latter harbors the highly conserved TASSAEM region, which lies in a hydrophobic tunnel formed by all domains. By integrative modeling, mutagenesis studies and genetic engineering of nisin variants, a model of the SaNSR/nisin complex is generated, revealing that SaNSR recognizes the last C-terminally located lanthionine ring of nisin. This determines the substrate specificity of SaNSR and ensures the exact coordination of the nisin cleavage site at the TASSAEM region.
Metal-to-insulator crossover in alkali doped zeolite
Authors: Igarashi Mutsuo , Jeglič Peter , Krajnc Andraž , Žitko Rok , Nakano Takehito , Nozue Yasuo , Arčon Denis
Published: January 2016

We report a systematic nuclear magnetic resonance investigation of the 23Na spin-lattice relaxation rate, 1/T1, in sodium loaded low-silica X (LSX) zeolite, Nan/Na12-LSX, for various loading levels of sodium atoms n across the metal-to-insulator crossover. For high loading levels of n ≥ 14.2, 1/T1T shows nearly temperature-independent behaviour between 10 K and 25 K consistent with the Korringa relaxation mechanism and the metallic ground state. As the loading levels decrease below n ≤ 11.6, the extracted density of states (DOS) at the Fermi level sharply decreases, although a residual DOS at Fermi level is still observed even in the samples that lack the metallic Drude-peak in the optical reflectance. The observed crossover is a result of a complex loading-level dependence of electric potential felt by the electrons confined to zeolite cages, where the electronic correlations and disorder both play an important role.
A new hexapeptide from the leader peptide of rMnSOD enters cells through the oestrogen receptor to deliver therapeutic molecules
Authors: Borrelli Antonella , Schiattarella Antonietta , Mancini Roberto , Pica Alessandra , Pollio Maria Laura , Ruggiero Maria Grazia , Bonelli Patrizia , De Luca Viviana , Tuccillo Franca Maria , Capasso Clemente , Gori Enrico , Sanseverino Marina , Carpentieri Andrea , Birolo Leila , Pucci Piero , Rommelaere Jean , Mancini Aldo
Published: January 2016

A 24-amino acid leader peptide of a new human recombinant manganese superoxide dismutase can enter cells and carry molecules. Here, we demonstrated that six of the 24 amino acids penetrate cells through a particular gate represented by a specific amino acid sequence of the oestrogen receptor (ER). We analysed the internalization of the synthetic hexapeptide and the cytotoxic activity of the hexapeptide conjugated to cisplatin on a cell line panel. In most cell lines, the hexapeptide delivered an amount of cisplatin that was 2 to 8 times greater than that released by cisplatin when the drug was used alone. This increased delivery increases the therapeutic index of cisplatin and reduces side effects caused by a high dosage or long-term treatment times. We may consider this hexapeptide a new molecular carrier to deliver molecules with therapeutic activity into ER+ cells for diagnostic purposes and clinical or immune therapy.
Fortilin potentiates the peroxidase activity of Peroxiredoxin-1 and protects against alcohol-induced liver damage in mice
Authors: Chattopadhyay Abhijnan , Pinkaew Decha , Doan Hung Q. , Jacob Reed B. , Verma Sunil K. , Friedman Hana , Peterson Alan C. , Kuyumcu-Martinez Muge N. , McDougal Owen M. , Fujise Ken
Published: January 2016

Fortilin, a pro-survival molecule, inhibits p53-induced apoptosis by binding to the sequence-specific DNA-binding domain of the tumor suppressor protein and preventing it from transcriptionally activating Bax. Intriguingly, fortilin protects cells against ROS-induced cell death, independent of p53. The signaling pathway through which fortilin protects cells against ROS-induced cell death, however, is unknown. Here we report that fortilin physically interacts with the antioxidant enzyme peroxiredoxin-1 (PRX1), protects it from proteasome-mediated degradation and keeps it enzymatically active by blocking its deactivating phosphorylation by Mst1, a serine/threonine kinase. At the whole animal level, the liver-specific overexpression of fortilin reduced PRX1 phosphorylation in the liver, enhanced PRX1 activity and protected the transgenic animals against alcohol-induced, ROS-mediated, liver damage. These data suggest the presence of a novel oxidative-stress-handling pathway where the anti-p53 molecule fortilin augments the peroxidase PRX1 by protecting it against degradation and inactivation of the enzyme. Fortilin-PRX1 interaction in the liver could be clinically exploited further to prevent acute alcohol-induced liver damage in humans.
Elevated serum complement factors 3 and 4 are strong inflammatory markers of the metabolic syndrome development: a longitudinal cohort study
Authors: Liu Zhenfang , Tang Qin , Wen Jing , Tang Yan , Huang DaMin , Huang Yuzhen , Xie Jinling , Luo Yawen , Liang Min , Wu Chunlei , Lu Zheng , Tan Aihua , Gao Yong , Wang Qiuyan , Jiang Yonghua , Yao Ziting , Lin Xinggu , Zhang Haiying , Mo Zengnan , Yang Xiaobo
Published: January 2016

An epidemiological design, consisting of cross-sectional (n = 2376) and cohort (n = 976) studies, was adopted to investigate the association between complement factors 3 (C3) and 4 and the metabolic syndrome (MetS) development. In the cross-sectional study, the C3 and C4 concentrations in the MetS group were higher than those in the non-MetS group (all P < 0.001) and the levels of immune globulin M (IgM), IgA, IgE and IgG exhibited no significant differences between MetS and non-MetS (all P > 0.050). After multi-factor adjustment, the odds ratios (ORs) in the highest quartile of C3 and C4 concentrations were 7.047 (4.664, 10.648) and 1.961 (1.349, 2.849), respectively, both Ptrend < 0.050. After a 4 years follow-up, total 166 subjects were diagnosed with MetS and the complement baseline levels from 2009 were used to predict the MetS risk in 2013. In the adjusted model, the relative risks (RRs) in the highest quartile of C3 and C4 levels were 4.779 (2.854, 8.003) and 2.590 (1.567, 4.280), respectively, both Ptrend < 0.001. Activation of complement factors may be an important part of inflammatory processes and our results indicated that the elevated C3 and C4 levels were independent risk factors for MetS development.
Amy63, a novel type of marine bacterial multifunctional enzyme possessing amylase, agarase and carrageenase activities
Authors: Liu Ge , Wu Shimei , Jin Weihua , Sun Chaomin
Published: January 2016

A multifunctional enzyme is one that performs multiple physiological functions, thus benefiting the organism. Characterization of multifunctional enzymes is important for researchers to understand how organisms adapt to different environmental challenges. In the present study, we report the discovery of a novel multifunctional enzyme Amy63 produced by marine bacterium Vibrio alginolyticus 63. Remarkably, Amy63 possesses amylase, agarase and carrageenase activities. Amy63 is a substrate promiscuous α-amylase, with the substrate priority order of starch, carrageenan and agar. Amy63 maintains considerable amylase, carrageenase and agarase activities and stabilities at wide temperature and pH ranges and optimum activities are detected at temperature of 60 °C and pH of 6.0, respectively. Moreover, the heteroexpression of Amy63 dramatically enhances the ability of E. coli to degrade starch, carrageenan and agar. Motif searching shows three continuous glycosyl hydrolase 70 (GH70) family homologs existed in Amy63 encoding sequence. Combining serial deletions and phylogenetic analysis of Amy63, the GH70 homologs are proposed as the determinants of enzyme promiscuity. Notably, such enzymes exist in all kingdoms of life, thus providing an expanded perspective on studies of multifunctional enzymes. To our knowledge, this is the first report of an amylase having additional agarase and carrageenase activities.
Allosteric effects of chromophore interaction with dimeric near-infrared fluorescent proteins engineered from bacterial phytochromes
Authors: Stepanenko Olesya V. , Baloban Mikhail , Bublikov Grigory S. , Shcherbakova Daria M. , Stepanenko Olga V. , Turoverov Konstantin K. , Kuznetsova Irina M. , Verkhusha Vladislav V.
Published: January 2016

Fluorescent proteins (FPs) engineered from bacterial phytochromes attract attention as probes for in vivo imaging due to their near-infrared (NIR) spectra and use of available in mammalian cells biliverdin (BV) as chromophore. We studied spectral properties of the iRFP670, iRFP682 and iRFP713 proteins and their mutants having Cys residues able to bind BV either in both PAS (Cys15) and GAF (Cys256) domains, in one of these domains, or without these Cys residues. We show that the absorption and fluorescence spectra and the chromophore binding depend on the location of the Cys residues. Compared with NIR FPs in which BV covalently binds to Cys15 or those that incorporate BV noncovalently, the proteins with BV covalently bound to Cys256 have blue-shifted spectra and higher quantum yield. In dimeric NIR FPs without Cys15, the covalent binding of BV to Сys256 in one monomer allosterically inhibits the covalent binding of BV to the other monomer, whereas the presence of Cys15 allosterically promotes BV binding to Cys256 in both monomers. The NIR FPs with both Cys residues have the narrowest blue-shifted spectra and the highest quantum yield. Our analysis resulted in the iRFP713/Val256Cys protein with the highest brightness in mammalian cells among available NIR FPs.
The DSF type quorum sensing signalling system RpfF/R regulates diverse phenotypes in the opportunistic pathogen Cronobacter
Authors: Suppiger Angela , Eshwar Athmanya Konegadde , Stephan Roger , Kaever Volkhard , Eberl Leo , Lehner Angelika
Published: January 2016

Several bacterial pathogens produce diffusible signal factor (DSF)-type quorum sensing (QS) signals to control biofilm formation and virulence. Previous work showed that in Burkholderia cenocepacia the RpfFBc/RpfR system is involved in sensing and responding to DSF signals and that this signal/sensor gene pair is highly conserved in several bacterial species including Cronobacter spp. Here we show that C. turicensis LMG 23827T possesses a functional RpfF/R system that is involved in the regulation of various phenotypes, including colony morphology, biofilm formation and swarming motility. In vivo experiments using the zebrafish embryo model revealed a role of this regulatory system in virulence of this opportunistic pathogen. We provide evidence that the RpfF/R system modulates the intracellular c-di-GMP level of the organism, an effect that may underpin the alteration in phenotype and thus the regulated phenotypes may be a consequence thereof. This first report on an RpfF/R-type QS system of an organism outside the genus Burkholderia revealed that both the underlying molecular mechanisms as well as the regulated functions show a high degree of conservation.
Spatial Distribution of Oxygen Chemical Potential under Potential Gradients and Theoretical Maximum Power Density with 8YSZ Electrolyte
Authors: Lim Dae-Kwang , Im Ha-Ni , Song Sun-Ju
Published: January 2016

The maximum power density of SOFC with 8YSZ electrolyte as the function of thickness was calculated by integrating partial conductivities of charge carriers under various DC bias conditions at a fixed oxygen chemical potential gradient at both sides of the electrolyte. The partial conductivities were successfully taken using the Hebb-Wagner polarization method as a function of temperature and oxygen partial pressure and the spatial distribution of oxygen partial pressure across the electrolyte was calculated based on Choudhury and Patterson’s model by considering zero electrode polarization. At positive voltage conditions corresponding to SOFC and SOEC, the high conductivity region was expanded, but at negative cell voltage condition, the low conductivity region near n-type to p-type transition was expanded. In addition, the maximum power density calculated from the current-voltage characteristic showed approximately 5.76 W/cm2 at 700 oC with 10 μm thick-8YSZ, while the oxygen partial pressure of the cathode and anode sides maintained ≈0.21 and 10−22 atm.
Wavenumber selection based analysis in Raman spectroscopy improves skin cancer diagnostic specificity
Authors: Zhao Jianhua , Zeng Haishan , Kalia Sunil , Lui Harvey
Published: January 2016

Wavenumber selection based analysis with variably-sized windows was proposed, which improves skin cancer diagnostic specificity at high sensitivity levels.
Ferric ion induced enhancement of ultraviolet vapour generation coupled with atomic fluorescence spectrometry for the determination of ultratrace inorganic arsenic in surface water
Authors: Wang Yuelong , Lin Lingling , Liu Jixin , Mao Xuefei , Wang Jianhua , Qin Deyuan
Published: January 2016

A novel method of ultraviolet vapour generation (UVG) coupled with atomic fluorescence spectrometry (AFS) was developed for the determination of ultratrace inorganic arsenic (iAs) in surface water.
Fragmentation patterns of five types of phospholipids by ultra-high-performance liquid chromatography electrospray ionization quadrupole time-of-flight tandem mass spectrometry
Authors: Pi Juanjuan , Wu Xia , Feng Yifan
Published: January 2016

The fragmentation regularities of five phospholipids have been studied by ultra-high-performance liquid chromatography electrospray ionization quadrupole time-of-flight tandem mass spectrometry.
Switchable solvent based liquid phase microextraction of uranium in environmental samples: a green approach
Authors: Soylak Mustafa , Khan Mansoor , Yilmaz Erkan
Published: January 2016

This paper describes a new and green approach for the preconcentration and separation of U(vi) by switchable solvent based liquid phase microextraction (SPS-LPME) and its UV-vis spectrophotometric determination.
Simultaneous determination of ginkgolides A, B and K in human plasma by UPLC-MS/MS and its application to the pharmacokinetic study of Ginkgo Diterpene Lactone Meglumine Injection in humans
Authors: Li Yan-Jing , Zhang Chen-Feng , Huang Wen-Zhe , Geng Ting , Wang Zhen-Zhong , Zhao Bin-Jiang , Zhou Yi-Fei , Xiao Wei
Published: January 2016

The UPLC-MS/MS method was developed for quantifying ginkgolide A, ginkgolide B and ginkgolide K as hydrolyzed forms in Ginkgo Diterpene Lactone Meglumine Injection for pharmacokinetic studies.
Development of on-line molecularly imprinted solid phase extraction-liquid chromatography-mass spectrometry for triazine analysis in corn samples
Authors: Andrade Felipe Nascimento , Nazario Carlos Eduardo Domingues , Santos-Neto Álvaro José , Lanças Fernando Mauro
Published: January 2016

A highly selective method for the analysis of triazine herbicides in corn samples based on molecularly imprinted solid phase extraction (MISPE) has been developed.
CO2 activation through silylimido and silylamido zirconium hydrides supported on N-donor chelating SBA15 surface ligands
Authors: Pasha Farhan Ahmad , Bendjeriou-Sedjerari Anissa , Abou-Hamad Edy , Huang Kuo-Wei , Basset Jean-Marie
Published: January 2016

Density functional theory calculations and 2D 1H–13C HETCOR solid state NMR spectroscopy prove that CO2 can be used to probe, by its own reactivity, different types of N-donor surface ligands on SBA15-supported ZrIV hydrides: [(Si–O–)(Si–N)[Zr]H] and [(Si–NH–)(Si–X–)[Zr]H2] (XO or NH).
Diastereo- and enantioselective construction of an indole-based 2,3-dihydrobenzofuran scaffold via catalytic asymmetric [3+2] cyclizations of quinone monoimides with 3-vinylindoles
Authors: Sun Xiao-Xue , Zhang Hong-Hao , Li Guo-Hao , Meng Li , Shi Feng
Published: January 2016

The first catalytic asymmetric [3+2] cyclization of quinone monoimides with 3-vinylindoles has been established, which constructed a biologically important 2,3-dihydrobenzofuran framework in high stereoselectivities (up to >95 : 5 dr, 96 : 4 er).
One-pot peptide and protein conjugation: a combination of enzymatic transamidation and click chemistry
Authors: Rachel N. M. , Pelletier J. N.
Published: January 2016

Enzymatic transamidation and copper-catalyzed azide–alkyne cycloaddition (CuAAC) were combined to yield covalently conjugated peptides and proteins.
A novel p-LaFeO3/n-Ag3PO4 heterojunction photocatalyst for phenol degradation under visible light irradiation
Authors: Yang Jun , Hu Ruisheng , Meng Wanwan , Du Yanfei
Published: January 2016

A novel p-LaFeO3/n-Ag3PO4 heterojunction photocatalyst exhibits higher activity than individual Ag3PO4 and LaFeO3 in the degradation of phenol.
3-Trifluoromethyl-3-aryldiazirine photolabels with enhanced ambient light stability
Authors: Kumar Arun Babu , Tipton Jeremiah D. , Manetsch Roman
Published: January 2016

Ambient light stable 3-trifluoromethyl-3-aryldiazirine photolabels were designed, synthesized and evaluated. In addition to the enhancement to ambient light stability, the modified photolabels were equally efficient in labeling biological targets. The new photolabels also increase the aqueous solubility of the photoaffinity labels by several folds.
Cuprophilic interactions in highly luminescent dicopper(i)–NHC–picolyl complexes – fast phosphorescence or TADF?
Authors: Nitsch Jörn , Lacemon Frederick , Lorbach Andreas , Eichhorn Antonius , Cisnetti Federico , Steffen Andreas
Published: January 2016

Cuprophilic interactions can greatly enhance the radiative rate constants via either exceptionally fast phosphorescence or TADF, and thus present a design motif for highly efficient CuI-based emitters.
Creating a thermally activated delayed fluorescence channel in a single polymer system to enhance exciton utilization efficiency for bluish-green electroluminescence
Authors: Luo Jiajia , Xie Guohua , Gong Shaolong , Chen Tianheng , Yang Chuluo
Published: January 2016

A single polymer with TADF feature has been developed by the side-chain engineering strategy. Employing these copolymers as emitting layers results in a high exciton utilization efficiency of 63.7%.
Upgrading ethanol to 1-butanol with a homogeneous air-stable ruthenium catalyst
Authors: Tseng Kuei-Nin T. , Lin Steve , Kampf Jeff W. , Szymczak Nathaniel K.
Published: January 2016

An amide-derived N,N,N-Ru(ii) complex catalyzes the conversion of EtOH to 1-BuOH with high activity.
Ultrasensitive determination of 5-methylcytosine and 5-hydroxymethylcytosine in genomic DNA by sheathless interfaced capillary electrophoresis–mass spectrometry
Authors: Yuan Fang , Zhang Xiao-Hui , Nie Ji , Chen Hong-Xu , Zhou Ying-Lin , Zhang Xin-Xiang
Published: January 2016

An ultrasensitive sheathless capillary electrophoresis–electrospray ionization–mass spectrometry system is developed for the determination of 5′-mdC and 5′-hmdC in only 125 pg (∼20 cells) genomic DNA samples.
Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides
Authors: Zhu Xu , Chiba Shunsuke
Published: January 2016

The Lewis acid-mediated conjugate addition of vinyl azides to electron-deficient alkenes led to the efficient construction of 1-pyrroline skeletons.
Reactivation from the Ni–B state in [NiFe] hydrogenase of Ralstonia eutropha is controlled by reduction of the superoxidised proximal cluster
Authors: Radu Valentin , Frielingsdorf Stefan , Lenz Oliver , Jeuken Lars J. C.
Published: January 2016

The tolerance towards oxic conditions of O2-tolerant [NiFe] hydrogenases has been attributed to an unusual [4Fe–3S] cluster that lies proximal to the [NiFe] active site.
Fluorescence imaging technology (FI) for high-throughput screening of selenide-modified nano-TiO2 catalysts
Authors: Wang Liping , Lee Jianchao , Zhang Meijuan , Duan Qiannan , Zhang Jiarui , Qi Hailang
Published: January 2016

A high-throughput screening (HTS) method based on fluorescence imaging (FI) was built and applied to evaluate the catalytic performance of selenides-modified TiO2. A catalyst library comprising 1405 catalysts was established using color ink-jet printing technology.
Analysis of crystal assembly in banded spherulites of phthalic acid upon solvent evaporation
Authors: Woo Eamor M. , Lugito Graecia , Yang Cheng-En
Published: January 2016

Differences are seen in the mechanism of lamellar assembly of two alternating banded regions (valley and ridge) of phthalic acid spherulites solvent-evaporation crystallized at either higher (80 °C) or ambient (28 °C) temperature.
Persistence of a self-complementary N–H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour
Authors: Le Thanh , Bhadbhade Mohan , Gao Jiabin , Hook James M. , Marjo Christopher E.
Published: January 2016

Thes-triazine herbicides simazine and atrazine assemble as hydrogen-bonded tapes in the solid state, and in a range of others-triazines in the CSD.
Ablation dynamics of Co/ZnS targets under double pulse femtosecond laser irradiation
Authors: Lopez-Quintas Ignacio , Loriot Vincent , Ávila David , Izquierdo Jesus G. , Rebollar Esther , Bañares Luis , Castillejo Marta , de Nalda Rebeca , Martin Margarita
Published: January 2016

The ablation dynamics of Co/ZnS is highly sensitive to the details of an ultrafast laser pulse irradiation sequence.
Plasmonic properties of Ag nanoparticles embedded in GeO2–SiO2 matrix by atom beam sputtering
Authors: Mohapatra Satyabrata
Published: January 2016

Ag–Ge–SiO2 nanocomposites, synthesized by atom beam sputtering, exhibit tunable localized surface plasmon resonance absorption upon thermal annealing in air.
Comment on “Fullerene-based materials for solar cell applications: design of novel acceptors for efficient polymer solar cells – a DFT study” by A. Mohajeri and A. Omidvar, Phys. Chem. Chem. Phys., 2015, 17, 22367
Authors: Sabirov Denis Sh. , Terentyev Anton O. , Shepelevich Igor S.
Published: January 2016

In contrast to the previous study, we report on no correlation between mean polarizability of fullerene derivatives and open-circuit voltages of organic solar cells based on them.
Static and dynamic electronic characterization of organic monolayers grafted on a silicon surface
Authors: Pluchery O. , Zhang Y. , Benbalagh R. , Caillard L. , Gallet J. J. , Bournel F. , Lamic-Humblot A.-F. , Salmeron M. , Chabal Y. J. , Rochet F.
Published: January 2016

Organic layers chemically grafted on silicon offer excellent interfaces that may open up the way for new organic–inorganic hybrid nanoelectronic devices.
Charge separation and charge recombination photophysical studies in a series of perylene–C60linear and cyclic dyads
Authors: Pla S. , Niemi M. , Martín-Gomis L. , Fernández-Lázaro F. , Lemmetyinen H. , Tkachenko N. V. , Sastre-Santos Á.
Published: January 2016

A new donor–acceptor doubly bridged perylenediimide–fullerene dyad (PDI–C60,DB-3), where the perylenediimide (PDI) acts as a donor, has been synthesized and studied by time-resolved absorption spectroscopy.
Assembly of polyaniline nanotubes by interfacial polymerization for corrosion protection
Authors: Oueiny C. , Berlioz S. , Perrin F. X.
Published: January 2016

Uncommon nanotube morphology was obtained for polyaniline prepared by interfacial polymerization using decylphosphonic acid in the aqueous phase. Fromex situAFM analysis it was found that a nanofibrillar template produced by aniline oligomers guide the growth of polyaniline to nanotubular morphology. Polyaniline nanotubes are thus not derived from decylphosphonic acid vesicles.
The formation of heterointerface defects in Au/Cu films on Si substrates under direct current in a vacuum ultraviolet environment
Authors: Yan Kai , Yao Wenqing , Yang Liping , Cao Jiangli , Zhao Yuanyuan , Zhao Lixia , Zhu Yongfa
Published: January 2016

The directed migration of atomic clusters was caused by the coupling effect of DC and UV, which aggravated the expansion of defects.
Dependence of cobaltocenium diffusion in ionic liquids on the alkyl chain length of 1-alkyl-3-methylimidazolium cations
Authors: Ueda Hiroyuki , Nishiyama Katsuhiko , Yoshimoto Soichiro
Published: January 2016

The electrochemical behavior of cobaltocenium (Cc+) on a Au(111) electrode was investigated in five 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([Cnmim][Tf2N], n = 2, 4, 6, 8, or 10) ionic liquids (ILs) in the temperature range from 293.15 to 343.15 K.
Charge- and thickness-dependent inplane deformation of multilayer graphene thin films
Authors: Sun Sheng , Zhang Tong-Yi
Published: January 2016

A theoretical model, verified by first-principles calculations, can describe the charge- and thickness-dependent inplane deformation of graphene thin films.
Self-generated concentration and modulus gradient coating design to protect Si nano-wire electrodes during lithiation
Authors: Kim Sung-Yup , Ostadhossein Alireza , van Duin Adri C. T. , Xiao Xingcheng , Gao Huajian , Qi Yue
Published: January 2016

Surface coatings as artificial solid electrolyte interphases have been actively pursued as an effective way to improve the cycle efficiency of nanostructured Si electrodes for high energy density lithium ion batteries, where the mechanical stability of the surface coatings on Si is as critical as Si itself.
The role of hydrogen during Pt–Ga nanocatalyst formation
Authors: Filez Matthias , Redekop Evgeniy A. , Galvita Vladimir V. , Poelman Hilde , Meledina Maria , Turner Stuart , Van Tendeloo Gustaaf , Bell Alexis T. , Marin Guy B.
Published: January 2016

The behavior and role of hydrogen is investigated by using Pt–Ga nano-alloy formation as a probe reaction.
High-performance lithium storage in an ultrafine manganese fluoride nanorod anode with enhanced electrochemical activation based on conversion reaction
Authors: Rui Kun , Wen Zhaoyin , Huang Xiao , Lu Yan , Jin Jun , Shen Chen
Published: January 2016

A high-performance manganese fluoride nanorod anode is developed successfully via a facile, one-step solvothermal reaction route based on an ionic liquid.
A ladder network modelling the electrochemical impedance of the diffusion and reaction processes in semi-infinite space
Authors: Moya A. A.
Published: January 2016

A ladder network modelling the Gerischer impedance.
Reply to the ‘Comment on “Fullerene-based materials for solar cell applications: design of novel acceptors for efficient polymer solar cells – a DFT study”’ by D. S. Sabirov, A. O. Terentyev and I. S. Shepelevich, Phys. Chem. Chem. Phys., 2016, DOI: 10.1039/C5CP05408G
Authors: Mohajeri Afshan , Omidvar Akbar
Published: January 2016

It is possible to predict the photovoltaic performance of fullerene derivatives based on their electronic/magnetic properties.
Multi-functional electrospun nanofibres for advances in tissue regeneration, energy conversion & storage, and water treatment
Authors: Peng Shengjie , Jin Guorui , Li Linlin , Li Kai , Srinivasan Madhavi , Ramakrishna Seeram , Chen Jun
Published: January 2016

This Tutorial Review focuses on recent applications of electrospun materials in tissue regeneration, energy conversion & storage, and water treatment areas.
A ternary Cu2O–Cu–CuO nanocomposite: a catalyst with intriguing activity
Authors: Sasmal Anup Kumar , Dutta Soumen , Pal Tarasankar
Published: January 2016

The exceptionally high catalytic activity of in situ generated ternary Cu2O–Cu–CuO nanocomposite obtained from Cu2O nanoparticles for 4-nitrophenol reduction is described.
Synthesis and photocatalytic activity of a naphthyl-substituted photosensitizing BINAP–palladium complex
Authors: Son Changsu , Inagaki Akiko
Published: January 2016

A novel light-active Pd complex having a BINAP ligand with 2-naphthyl substituents on the phosphines was synthesized and characterized, which is active in the catalytic light-controlled polymerization of 4-methoxystyrene.
Metal–organic frameworks constructed from crown ether-based 1,4-benzenedicarboxylic acid derivatives
Authors: Chen Teng-Hao , Schneemann Andreas , Fischer Roland A. , Cohen Seth M.
Published: January 2016

A series of crown ether- and thiacrown ether-derivatized benzene dicarboxylic acid (H2bdc) ligands has been synthesized and incorporated into the prototypical isoreticular metal–organic framework (IRMOF) and UiO-66 materials.
One-pot synthesis of polyamines improved magnetism and fluorescence Fe3O4–carbon dots hybrid NPs for dual modal imaging
Authors: Li Bo , Wang Xudong , Guo Yali , Iqbal Anam , Dong Yaping , Li Wu , Liu Weisheng , Qin Wenwu , Chen Shizhen , Zhou Xin , Yang Yunhuang
Published: January 2016

Magnetic–fluorescent Fe3O4–CDs with dual modal imaging ability for both MRI and fluorescence imaging are prepared through a one-step hydrothermal method.
Synthesis and spectroscopic behaviour of metal complexes of meso-alkylidenyl carbaporphyrinoids and their expanded analogues
Authors: Abebayehu Abeje , Park Dowoo , Hwang Seonah , Dutta Ranjan , Lee Chang-Hee
Published: January 2016

Metal complexes ofmeso-diethyl malonylidene carbaporphyrinoids have been synthesized and fully characterized.
Toxic interactions of different silver forms with freshwater green algae and cyanobacteria and their effects on mechanistic endpoints and the production of extracellular polymeric substances
Authors: Taylor Cameron , Matzke Marianne , Kroll Alexandra , Read Daniel S. , Svendsen Claus , Crossley Alison
Published: January 2016

The magnitude and mechanisms of toxicity that Ag nanoparticles/ions impart on microorganisms and their effects on EPS produced were investigated.
Water-compatible surface molecularly imprinted polymers with synergy of bi-functional monomers for enhanced selective adsorption of bisphenol A from aqueous solution
Authors: Duan Feifei , Chen Chaoqiu , Zhao Xiaofeng , Yang Yongzhen , Liu Xuguang , Qin Yong
Published: January 2016

Water-compatible surface molecularly imprinted polymers were synthesized via bi-functional monomers and exhibited excellent adsorption performance for the selective removal of BPA from aqueous media.
A unified view on heterogeneous and homogeneous catalysts through a combination of spectroscopy and quantum chemistry
Authors: Maganas Dimitrios , Trunschke Annette , Schlögl Robert , Neese Frank
Published: January 2016

Identifying catalytically active structures or intermediates in homogeneous and heterogeneous catalysis is a formidable challenge. However, obtaining experimentally verified insight into the active species in heterogeneous catalysis is a tremendously challenging problem. Many highly advanced spectroscopic and microscopic methods have been developed to probe surfaces. In this discussion we employ a combination of spectroscopic methods to study two closely related systems from the heterogeneous (the silica-supported vanadium oxide VOx/SBA-15) and homogeneous (the complex K[VO(O2)Hheida]) domains. Spectroscopic measurements were conducted strictly in parallel for both systems and consisted of oxygen K-edge and vanadium L-edge X-ray absorption measurements in conjunction with resonance Raman spectroscopy. It is shown that the full information content of the spectra can be developed through advanced quantum chemical calculations that directly address the sought after structure–spectra relationships. To this end we employ the recently developed restricted open shell configuration interaction theory together with the time-dependent theory of electronic spectroscopy to calculate XAS and rR spectra respectively. The results of the study demonstrate that: (a) a combination of several spectroscopic techniques is of paramount importance in identifying signature structural motifs and (b) quantum chemistry is an extremely powerful guide in cross connecting theory and experiment as well as the homogeneous and heterogeneous catalysis fields. It is emphasized that the calculation of spectroscopic observables provides an excellent way for the critical experimental validation of theoretical results.
Hydrolysates of egg white proteins modulate T- and B-cell responses in mitogen-stimulated murine cells
Authors: Lozano-Ojalvo Daniel , Molina Elena , López-Fandiño Rosina
Published: January 2016

Egg white proteins hydrolysed with different enzymes exert immunomodulating effects and can be used as Th1- or Th2-skewing mediators.
Review: nanocelluloses as versatile supports for metal nanoparticles and their applications in catalysis
Authors: Kaushik Madhu , Moores Audrey
Published: January 2016

Nanocellulose has recently been intensely studied a support for metal nanoparticles with special attention to applications in catalysis. This emerging field is reviewed therein.
Synthesis of redispersible spherical cellulose II nanoparticles decorated with carboxylate groups
Authors: Beaumont Marco , Nypelö Tiina , König Jakob , Zirbs Ronald , Opietnik Martina , Potthast Antje , Rosenau Thomas
Published: January 2016

Cellulose II gels from a stream of the Lyocell fiber process were transformed into spherical nanoparticles by carboxymethylation and subsequent homogenization.
Phenotypic regulation of liver cells in a biofunctionalized three-dimensional hydrogel platform
Authors: Kim Myung Hee , Kumar Supriya K. , Shirahama Hitomi , Seo Jeongeun , Lee Jae Ho , Cho Nam-Joon
Published: January 2016

Development of a biofunctionalized three-dimensional hydrogel scaffold for hepatoctye cell culture highlights the importance of cell morphology, more specifically sheet-layer formation, in regulating gene expression.
Filter-less submicron hydrodynamic size sorting
Authors: Fouet M. , Mader M.-A. , Iraïn S. , Yanha Z. , Naillon A. , Cargou S. , Gué A.-M. , Joseph P.
Published: January 2016

We push the limits of hydrodynamic filtration by demonstrating filter-less sorting of submicron particles, in line with the model and simulations.
Hybrid PDMS/glass microfluidics for high resolution imaging and application to sub-wavelength particle trapping
Authors: Tonin Mario , Descharmes Nicolas , Houdré Romuald
Published: January 2016

We demonstrate the fabrication of a hybrid PDMS/glass microfluidic layer that can be placed on top of non-transparent samples and allows high-resolution optical microscopy through it.
Identifying the crosstalk of dysfunctional pathways mediated by lncRNAs in breast cancer subtypes
Authors: Wang Li , Li Jing , Zhao Hongying , Hu Jing , Ping Yanyan , Li Feng , Lan Yujia , Xu Chaohan , Xiao Yun , Li Xia
Published: January 2016

Crosstalk among abnormal pathways widely occurs in human cancer and generally leads to insensitivity to cancer treatment.
Fragment pharmacophore-based in silico screening: a powerful approach for efficient lead discovery
Authors: Deyon-Jung Laurence , Morice Christophe , Chéry Florence , Gay Julie , Langer Thierry , Frantz Marie-Céline , Rozot Roger , Dalko-Csiba Maria
Published: January 2016

A fragmentation–recombination process coupled with fragment-based pharmacophore in silico screening: a tailor-made approach for the discovery of new cosmetics.
Probing charge transfer in a novel class of luminescent perovskite-based heterostructures composed of quantum dots bound to RE-activated CaTiO3 phosphors
Authors: Lewis Crystal S. , Liu Haiqing , Han Jinkyu , Wang Lei , Yue Shiyu , Brennan Nicholas A. , Wong Stanislaus S.
Published: January 2016

RE (RE = Eu and Pr) doped CaTiO3 were synthesized using two distinctive methodologies and then coated with CdSe QDs. Resulting heterostructures evinced charge transfer between the CaTiO3 host and the attached QDs.
A new generation of chiral phase-transfer catalysts
Authors: Kaneko Shiho , Kumatabara Yusuke , Shirakawa Seiji
Published: January 2016

A new generation of chiral phase-transfer catalysts is summarized.
Synthesis of a new poly([R]-3-hydroxybutyrate) RAFT agent
Authors: Jiang Lu , Liow Sing Shy , Loh Xian Jun
Published: January 2016

Biodegradable, sustainable and biocompatible natural poly([R]-3-hydroxybutyrate) (PHB) has been modified by 1-hexanol through transesterification to form a mono-hydroxylated PHB, which reacted with thiocarbonylthio compound to generate macro mono-hydroxylated PHB chain transfer agent (CTA) for RAFT polymerization with DMAEMA monomer. Kinetic processes of transesterification reaction and RAFT polymerization were carefully investigated.
Cu(0)-mediated living radical polymerization: recent highlights and applications; a perspective
Authors: Anastasaki Athina , Nikolaou Vasiliki , Haddleton David M.
Published: January 2016

Cu(0)-mediated living radical polymerization or single electron transfer living radical polymerization (Cu(0)-mediated LRP or SET-LRP) is a versatile polymerization technique that has attracted considerable interest during the past few years for the facile preparation of advanced materials.
Enantioselective dearomative [3 + 2] cycloadditions of indoles with azomethine ylides derived from alanine imino esters
Authors: Gerten Anthony L. , Stanley Levi M.
Published: January 2016

Dearomative cycloadditions of imino esters derived from alanine with 3-nitroindoles formexo′-pyrroloindolines in good yields with high diastereo- and enantioselectivities.
A novel near-ultraviolet (NUV) converting blue-violet Ca2−xAlMg0.5Si1.5O7:xCe3+ phosphor for white light-emitting-diodes (w-LEDs)
Authors: Zhao Cong , Zhu Da-chuan , Tu Ming-jing , Huang Min , Peng Ling-ling , Han Tao
Published: January 2016

Ce3+ doped aluminosilicate phosphors (Ca2−xAlMg0.5Si1.5O7:xCe3+, x = 0.015–0.075) for white NUV w-LEDs were synthesized by a solid-state reaction method at 1250 °C.
Influence of potassium permanganate pre-oxidation on the interaction of humic acid with cadmium/arsenic
Authors: Kong Yanli , Shen Jimin , Chen Zhonglin , Kang Jing , Fan Leitao , Zhao Xia
Published: January 2016

Permanganate pre-oxidation could enhance coagulation in water treatment of surface water in the presence of humic acid (HA).
Selective synthesis of Fe3O4, γ-Fe2O3, and α-Fe2O3 using cellulose-based composites as precursors
Authors: Liu Shan , Yao Ke , Fu Lian-Hua , Ma Ming-Guo
Published: January 2016

Iron oxide with various phases such as Fe3O4, γ-Fe2O3, and α-Fe2O3 has been selective successfully synthesized using cellulose-based composites as precursors, which were obtained at 180 °C for 45 min by the microwave-hydrothermal method.
Printable hybrid hydrogel by dual enzymatic polymerization with superactivity
Authors: Wei Qingcong , Xu Mengchi , Liao Chuanan , Wu Qing , Liu Mingyu , Zhang Ye , Wu Chengtie , Cheng Liming , Wang Qigang
Published: January 2016

Hybrid hydrogels were fabricated via a new approach employing a dual enzyme-mediated redox initiation reaction and their applications for 3D printing and biocatalysis.
A unique approach toward near-infrared fluorescent probes for bioimaging with remarkably enhanced contrast
Authors: Gong Yi-Jun , Zhang Xiao-Bing , Mao Guo-Jiang , Su Li , Meng Hong-Min , Tan Weihong , Feng Suling , Zhang Guisheng
Published: January 2016

A universal sensing platform with significantly enhanced image contrast and apparent brightness in biological imaging applications.
Weak reversible cross links may decrease the strength of aligned fiber bundles
Authors: Nabavi S. Soran , Hartmann Markus A.
Published: January 2016

The influence of weak reversible cross-linking on the mechanical properties of aligned, polymeric fiber bundles is investigated using computer simulations. It is shown that the presence of cross-links may effectively weaken the material. This effect strongly depends on the grafting density of the system.
Hybrid materials from organic electronic conductors and synthetic-lignin models for charge storage applications
Authors: Rębiś Tomasz , Nilsson Ting Yang , Inganäs Olle
Published: January 2016

Homopolymers and copolymers of the monolignols syringol (S) and guaiacol (G) were prepared as well-defined lignin model compounds.
Photo-induced degradation of lead halide perovskite solar cells caused by the hole transport layer/metal electrode interface
Authors: Wei Dong , Wang Tianyue , Ji Jun , Li Meicheng , Cui Peng , Li Yaoyao , Li Guanying , Mbengue Joseph Michel , Song Dandan
Published: January 2016

Photo-induced degradation of PSCs is caused by damage at the HTM/Au interface, which can be recovered by renewal of the Au electrode.
Towards sustainable solid-state supercapacitors: electroactive conducting polymers combined with biohydrogels
Authors: Pérez-Madrigal Maria M. , Estrany Francesc , Armelin Elaine , Díaz David Díaz , Alemán Carlos
Published: January 2016

Solid-state organic electrochemical supercapacitors (OESCs) have been fabricated using poly(3,4-ethylenedioxythiophene) (PEDOT) electrodes, a biohydrogel as electrolyte system, and polyaniline fibers as redox additive.
Inulin coated plasmonic gold nanoparticles as a tumor-selective tool for cancer therapy
Authors: Li Volsi Anna , Jimenez de Aberasturi Dorleta , Henriksen-Lacey Malou , Giammona Gaetano , Licciardi Mariano , Liz-Marzán Luis M.
Published: January 2016

Preferential uptake by cancer cells of PEG-inulin coated gold nanoparticles loaded with the drug doxorubicin.
The effect of PEG length on the size and guest uptake of PEG-capped MIL-88A particles
Authors: Mejia-Ariza Raquel , Huskens Jurriaan
Published: January 2016

Different PEG length capping ligands were used to fabricated micro- and nano-MIL-88A particles. A model drug was encapsulated and released by counter-ion exchange, and its rate was dependent on the presence of PEG chains on the surface.
Conductive composite fibres from reduced graphene oxide and polypyrrole nanoparticles
Authors: Schirmer K. S. U. , Esrafilzadeh D. , Thompson B. C. , Quigley A. F. , Kapsa R. M. I. , Wallace G. G.
Published: January 2016

Wet–spun composite fibres from graphene and polypyrrole nanoparticles show appropriate mechanical properties, high electrical conductivity and good cytocompatibility.
Decorated reduced graphene oxide for photo-chemotherapy
Authors: Hu Yanfang , Sun Diankui , Ding Jianxun , Chen Li , Chen Xuesi
Published: January 2016

A novel surface modification strategy to prepare dextran decorated reduced graphene oxide (rGO) sheets for photo-chemotherapy has been presented. In this strategy, octadecanic acid is conjugated on dextran and used as a hydrophobic anchor to prepare dextran decorated rGO sheets.
Strongly improved current-carrying capacity induced by nanoscale lattice strains in YBa2Cu3O7−δ–Ba0.7Sr0.3TiO3 composite films derived from chemical solution deposition
Authors: Lei Li , Liu Lu , Wang Xiuting , Wang Shasha , Jia Jiqiang , Zhao Gaoyang , Wu Chuanbao , Jin Lihua , Li Chengshan , Zhang Pingxiang
Published: January 2016

We illustrated that the elongated and shortened Cu–O bonds are responsible for the distinctly improved Jc of the YBCO film under both self-field and applied magnetic fields.
Multifunctional resistive switching behaviors employing various electroforming steps
Authors: Lee Ah Rahm , Bae Yoon Cheol , Baek Gwang Ho , Chung Je Bock , Lee Sang Hyo , Im Hyun Sik , Hong Jin Pyo
Published: January 2016

We examine the electroforming-dependent multifunctional resistive switching features by operating a merged Pt/Ta2O5−x/Ta–Ta/Ta2O5−x/Pt switching device under particular bias and polarity conditions.
The effect of tuning the microstructure of TIPS-tetraazapentacene on the performance of solution processed thin film transistors
Authors: Paulus Fabian , Engelhart Jens U. , Hopkinson Paul E. , Schimpf Christian , Leineweber Andreas , Sirringhaus Henning , Vaynzof Yana , Bunz Uwe H. F.
Published: January 2016

We report a comprehensive study of the symmetrical 6,13-bis(triisopropylsilylethynyl)tetraazapentacene used as an electron transporting material in organic field-effect transistors deposited by spin/zone-casting.
Dipolar donor–acceptor molecules in the cyanine limit for high efficiency green-light-selective organic photodiodes
Authors: Bulliard Xavier , Jin Yong Wan , Lee Gae Hwang , Yun Sungyoung , Leem Dong-Seok , Ro Takkyun , Park Kyung-Bae , Heo Chul-Joon , Satoh Ryu-Ichi , Yagi Tadao , Choi Yeong Suk , Lim Seon-Jeong , Lee Sangyoon
Published: January 2016

Two novel dipolar donor–acceptor molecules approaching the cyanine limit were used for green-light-selective OPDs.
Improving the dielectric properties of poly(vinylidene fluoride) composites by using poly(vinyl pyrrolidone)-encapsulated polyaniline nanorods
Authors: Yu Shuangmin , Qin Fan , Wang Gengchao
Published: January 2016

A promising PVDF-based dielectric polymer nanocomposite based on easily dispersed and poly(vinyl pyrrolidone)-encapsulated polyaniline nanorods (dPANI@PVP) was fabricated and displayed a high dielectric constant and low dielectric loss.
A di(1-benzothieno)[3,2-b:2′,3′-d]pyrrole and isoindigo-based electron donating conjugated polymer for efficient organic photovoltaics
Authors: Jung In Hwan , Kim Ji-Hoon , Nam So Youn , Lee Changjin , Hwang Do-Hoon , Yoon Sung Cheol
Published: January 2016

A novel isoindigo-based electron donor polymer (PDBTPI) was synthesized for organic photovoltaics, which showed a promising power conversion efficiency of over 7%.
Mycotoxin ochratoxin A disrupts renal development via a miR-731/prolactin receptor axis in zebrafish
Authors: Wu Ting-Shuan , Yang Jiann-Jou , Wang Yan-Wei , Yu Feng-Yih , Liu Biing-Hui
Published: January 2016

Ochratoxin A in food and feed interferes the kidney development in zebrafish embryos.
Accumulation, biotransformation, and multi-biomarker responses after exposure to arsenic species in the earthworm Eisenia fetida
Authors: Wang Zhifeng , Cui Zhaojie
Published: January 2016

The integrated biomarker response (IBR) index was calculated to reflect the integrated stress of four arsenic species on the earthwormEisenia fetida.
Speech and Language Services in South Korea for Individuals with Neurogenic Communication Disorders
Authors: Sung Jee Eun , Kim Hyanghee
Published: January 2016

There is a growing need for speech and language pathology services in South Korea, especially for persons with neurogenic communication disorders, given that the population of elderly adults increases rapidly. This article provides information on (a) prevalence and incidence of neurogenic communication disorders, (b) speech and language service delivery system, and (c) demographics of speech-language pathologists (SLPs) and obtaining competency in neurogenic communication disorders in South Korea. The importance of international collaborations is discussed to better understand culturally and linguistically diverse populations with neurogenic communication disorders.
The Relevance of Context in Understanding the Lived Experience of Aphasia: Lessons from South Africa
Authors: Legg Carol , Penn Claire
Published: January 2016

Purpose: In this paper we describe a study of aphasia in a unique sociocultural context, to show the value of the anthropological perspective for the clinician faced with a diverse caseload.

Methods: We present findings of an anthropological study of the experience of aphasia for adults living in Khayelitsha, a township on the outskirts of Cape Town, where the isiXhosa speaking residents live in conditions of poverty and where health and social resources are either lacking or in disarray (Legg, 2010). The study involved three years of intermittent fieldwork that included in-depth case studies of five adults living with aphasia in Khayelitsha and sustained contact with a number of healthcare and community institutions.

Results: Interpretations and experiences of aphasia assumed a wider significance than communication disorder and were, essentially, a window onto the sociocultural and economic struggles that beset the lives of our participants. These struggles had profound influences on experiences of aphasia and responses to treatment.

Conclusions: Understanding the unique contextual influences on experiences of aphasia will place the aphasia clinician in a more potent position to develop relevant interventions.