bluuebunny/crossref_metadata_2025 huggingface dataset:
Product release is rate-limiting for catalytic processing by the Dengue virus protease
Authors: Shannon A. E. , Pedroso M. M. , Chappell K. J. , Watterson D. , Liebscher S. , Kok W. M. , Fairlie D. P. , Schenk G. , Young P. R.
Published: November 2016

Dengue Virus (DENV) is the most prevalent global arbovirus, yet despite an increasing burden to health care there are currently no therapeutics available to treat infection. A potential target for antiviral drugs is the two-component viral protease NS2B-NS3pro, which is essential for viral replication. Interactions between the two components have been investigated here by probing the effect on the rate of enzyme catalysis of key mutations in a mobile loop within NS2B that is located at the interface of the two components. Steady-state kinetic assays indicated that the mutations greatly affect catalytic turnover. However, single turnover and fluorescence experiments have revealed that the mutations predominantly affect product release rather than substrate binding. Fluorescence analysis also indicated that the addition of substrate triggers a near-irreversible change in the enzyme conformation that activates the catalytic centre. Based on this mechanistic insight, we propose that residues within the mobile loop of NS2B control product release and present a new target for design of potent Dengue NS2B-NS3 protease inhibitors.
Globally accurate potential energy surface for the ground-state HCS(X2A′) and its use in reaction dynamics
Authors: Song Yu-Zhi , Zhang Lu-Lu , Gao Shou-Bao , Meng Qing-Tian
Published: November 2016

A globally accurate many-body expansion potential energy surface is reported for HCS(X2A′) by fitting a wealth of accurate ab initio energies calculated at the multireference configuration interaction level using aug-cc-pVQZ and aug-cc-pV5Z basis sets via extrapolation to the complete basis set limit. The topographical features of the present potential energy surface are examined in detail and is in good agreement with the raw ab initio results, as well as other theoretical results available in literatures. By utilizing the potential energy surface of HCS(X2A′), the dynamic studies of the C(3P) + SH(X2Π) → H(2S) + CS(X1∑+) reaction has been carried out using quasi-classical trajectory method.
Polarisation independent silicon-on-insulator slot waveguides
Authors: Chen Valerian Hongjie , Ong Jun Rong , Png Ching Eng
Published: November 2016

The minimisation of birefringence, or polarisation mode dispersion, is vital for simplifying and miniaturising photonic components. In this work, we present a systematic study of the slot waveguide geometries required for having zero birefringence (ZB). We show that the rail widths required for ZB are more strongly dependent on the height of the waveguide than on the slot separation. After which, we demonstrate that the ZB geometry is significantly affected by the slanting of the waveguide walls. This paper proceeds to show that within the range studied, one can fix the height, slot, slant angle, and bend radius, and still achieve ZB by varying the widths of both of the rails. Given a fabrication tolerance of 5 nm, we show that a coherence length on the order of a hundred microns can be achieved. We finish by showing that for straight and bent ZB waveguides, having symmetric rails is preferable due to higher tolerances and lower sensitivity to bending. Since any arbitrarily shaped slot waveguide is a combination of both single mode straight and bent waveguides, we have a toolbox from which we can achieve ZB for any given slot and height.
Towards High Capacity Li-ion Batteries Based on Silicon-Graphene Composite Anodes and Sub-micron V-doped LiFePO4 Cathodes
Authors: Loveridge M. J. , Lain M. J. , Johnson I. D. , Roberts A. , Beattie S. D. , Dashwood R. , Darr J. A. , Bhagat R.
Published: November 2016

Lithium iron phosphate, LiFePO4(LFP) has demonstrated promising performance as a cathode material in lithium ion batteries (LIBs), by overcoming the rate performance issues from limited electronic conductivity. Nano-sized vanadium-doped LFP (V-LFP) was synthesized using a continuous hydrothermal process using supercritical water as a reagent. The atomic % of dopant determined the particle shape. 5 at. % gave mixed plate and rod-like morphology, showing optimal electrochemical performance and good rate properties vs. Li. Specific capacities of >160 mAh g−1were achieved. In order to increase the capacity of a full cell, V-LFP was cycled against an inexpensive micron-sized metallurgical grade Si-containing anode. This electrode was capable of reversible capacities of approximately 2000 mAh g−1for over150 cycles vs. Li, with improved performance resulting from the incorporation of few layer graphene (FLG) to enhance conductivity, tensile behaviour and thus, the composite stability. The cathode material synthesis and electrode formulation are scalable, inexpensive and are suitable for the fabrication of larger format cells suited to grid and transport applications.
A Role of the FUZZY ONIONS LIKE Gene in Regulating Cell Death and Defense in Arabidopsis
Authors: Tremblay Arianne , Seabolt Savanna , Zeng Hongyun , Zhang Chong , Böckler Stefan , Tate Dominique N. , Duong Vy Thuy , Yao Nan , Lu Hua
Published: November 2016

Programmed cell death (PCD) is critical for development and responses to environmental stimuli in many organisms. FUZZY ONIONS (FZO) proteins in yeast, flies, and mammals are known to affect mitochondrial fusion and function. Arabidopsis FZO-LIKE (FZL) was shown as a chloroplast protein that regulates chloroplast morphology and cell death. We cloned the FZL gene based on the lesion mimic phenotype conferred by an fzl mutation. Here we provide evidence to support that FZL has evolved new function different from its homologs from other organisms. We found that fzl mutants showed enhanced disease resistance to the bacterial pathogen Pseudomonas syringae and the oomycete pathogen Hyaloperonospora arabidopsidis. Besides altered chloroplast morphology and cell death, fzl showed the activation of reactive oxygen species (ROS) and autophagy pathways. FZL and the defense signaling molecule salicylic acid form a negative feedback loop in defense and cell death control. FZL did not complement the yeast strain lacking the FZO1 gene. Together these data suggest that the Arabidopsis FZL gene is a negative regulator of cell death and disease resistance, possibly through regulating ROS and autophagy pathways in the chloroplast.
Associations of blood lead levels with reproductive hormone levels in men and postmenopausal women: Results from the SPECT-China Study
Authors: Chen Chi , Wang Ningjian , Zhai Hualing , Nie Xiaomin , Sun Honglin , Han Bing , Li Qin , Chen Yi , Cheng Jing , Xia Fangzhen , Zhao Li , Zheng Yanjun , Shen Zhoujun , Lu Yingli
Published: November 2016

We examined whether blood lead levels (BLLs) were associated with reproductive hormone levels in a cross-sectional study using data from the SPECT-China study. We selected 2286 men and 1571 postmenopausal women without hormone replacement therapy. BLLs, blood cadmium, total testosterone (TT), oestradiol (E2), luteinizing hormone (LH), follicle stimulating hormone (FSH) and sex hormone binding globulin(SHBG) levels were measured. The results showed that median values (interquartile range) of BLLs were 44.00 μg/L (29.00–62.30) for men and 41.00 μg/L (27.00–59.81) for postmenopausal women. In linear regression, after adjusting for age, current smoking status, body mass index, systolic blood pressure, diabetes and blood cadmium level, TT (P for trend = 0.001) and SHBG (P for trend < 0.001) levels were still positively associated with BLLs in men. Meanwhile, significant positive associations were found for BLLs with SHBG (P for trend = 0.002), FSH (P for trend = 0.001) and LH (P for trend = 0.026) levels in postmenopausal women. Additionally, the association between BLL and SHBG was modified by dysglycaemia (P for interaction = 0.03) in postmenopausal women. In conclusion, BLLs were associated with reproductive hormone levels in the general population of Chinese men and postmenopausal women, which may have important implications for human health. Concerted efforts to reduce adult lead exposure are warranted.
Wetting theory for small droplets on textured solid surfaces
Authors: Kim Donggyu , Pugno Nicola M. , Ryu Seunghwa
Published: November 2016

Conventional wetting theories on rough surfaces with Wenzel, Cassie-Baxter, and Penetrate modes suggest the possibility of tuning the contact angle by adjusting the surface texture. Despite decades of intensive study, there are still many experimental results that are not well understood because conventional wetting theory, which assumes an infinite droplet size, has been used to explain measurements of finite-sized droplets. Here, we suggest a wetting theory applicable to a wide range of droplet size for the three wetting modes by analyzing the free energy landscape with many local minima originated from the finite size. We find that the conventional theory predicts the contact angle at the global minimum if the droplet size is about 40 times or larger than the characteristic scale of the surface roughness, regardless of wetting modes. Furthermore, we obtain the energy barrier of pinning which can induce the contact angle hysteresis as a function of geometric factors. We validate our theory against experimental results on an anisotropic rough surface. In addition, we discuss the wetting on non-uniformly rough surfaces. Our findings clarify the extent to which the conventional wetting theory is valid and expand the physical understanding of wetting phenomena of small liquid drops on rough surfaces.
Structural insight for chain selection and stagger control in collagen
Authors: Boudko Sergei P. , Bächinger Hans Peter
Published: November 2016

Collagen plays a fundamental role in all known metazoans. In collagens three polypeptides form a unique triple-helical structure with a one-residue stagger to fit every third glycine residue in the inner core without disturbing the poly-proline type II helical conformation of each chain. There are homo- and hetero-trimeric types of collagen consisting of one, two or three distinct chains. Thus there must be mechanisms that control composition and stagger during collagen folding. Here, we uncover the structural basis for both chain selection and stagger formation of a collagen molecule. Three distinct chains (α1, α2 and α3) of the non-collagenous domain 2 (NC2) of type IX collagen are assembled to guide triple-helical sequences in the leading, middle and trailing positions. This unique domain opens the door for generating any fragment of collagen in its native composition and stagger.
Self-healing polysaccharide-based hydrogels as injectable carriers for neural stem cells
Authors: Wei Zhao , Zhao Jingyi , Chen Yong Mei , Zhang Pengbo , Zhang Qiqing
Published: November 2016

Self-healing injectable hydrogels can be formulated as three-dimensional carriers for the treatment of neurological diseases with desirable advantages, such as avoiding the potential risks of cell loss during injection, protecting cells from the shearing force of injection. However, the demands for biocompatible self-healing injectable hydrogels to meet above requirements and to promote the differentiation of neural stem cells (NSCs) into neurons remain a challenge. Herein, we developed a biocompatible self-healing polysaccharide-based hydrogel system as a novel injectable carrier for the delivery of NSCs. N-carboxyethyl chitosan (CEC) and oxidized sodium alginate (OSA) are the main backbones of the hydrogel networks, denoted as CEC-l-OSA hydrogel (“l” means “linked-by”). Owing to the dynamic imine cross-links formed by a Schiff reaction between amino groups on CEC and aldehyde groups on OSA, the hydrogel possesses the ability to self-heal into a integrity after being injected from needles under physiological conditions. The CEC-l-OSA hydrogel in which the stiffness mimicking nature brain tissues (100~1000 Pa) can be finely tuned to support the proliferation and neuronal differentiation of NSCs. The multi-functional, injectable, and self-healing CEC-l-OSA hydrogels hold great promises for NSC transplantation and further treatment of neurological diseases.
Characterizations of H4 avian influenza viruses isolated from ducks in live poultry markets and farm in Shanghai
Authors: Shi Ying , Cui Hongrui , Wang Junheng , Chi Qiuyan , Li Xuesong , Teng Qiaoyang , Chen Hongjun , Yang Jianmei , Liu Qinfang , Li Zejun
Published: November 2016

H4 avian influenza virus is one of the most prevalent influenza virus subtypes in birds. The evolution and pathogenicity of H4 AIV in domestic birds of China remain largely unclear. In the present study, a total of eight H4 AIV strains isolated in duck farm and live poultry markets (LPM) were characterized. Phylogenetic analysis indicated that these strains are divided into two groups in the Eurasian lineage. Eight genes of MH-2/H4N6 isolated from a duck farm were closely related to three H4N6 viruses from LPM, suggesting a potential AIV link between farms and LPMs. Additionally, the HA, NA, PB2, NP, and NS genes of two other H4N6 viruses isolated in LPM clustered with that of MH-2/H4N6. However, the remaining genes were more closely related to other sublineages, suggesting that MH-2/H4N6-originated viruses reassorted with other viruses in LPM. All H4 viruses replicated in mouse lungs without prior adaptation and all viruses replicated and transmitted among ducks. 29-1/H4N2, MH-2/H4N6, and 420-2/H4N6 viruses caused systemic infection in infected ducks. However, most of the viruses were not adapted in chickens. The present results indicate a potential correlation of AIV between LPMs and farms and suggest that active surveillance of AIV in LPM is warranted in China.
High-level expression of improved thermo-stable alkaline xylanase variant in Pichia Pastoris through codon optimization, multiple gene insertion and high-density fermentation
Authors: Lu Yihong , Fang Cheng , Wang Qinhong , Zhou Yuling , Zhang Guimin , Ma Yanhe
Published: November 2016

In paper industry, xylanases are used to increase the pulp properties in bleaching process as its eco-friendly nature. The xylanases activity is hindered by high temperature and alkaline conditions with high enzyme production cost in the paper industry. Here, XynHB, an alkaline stable xylanase from Bacillus pumilus HBP8 was mutated at N188A to XynHBN188A. Expressed mutant in E. coli showed 1.5-fold higher xylanase activity than XynHB at 60 °C. The mutant expressed in Pichia pastoris was glycosylated, remained stable for 30 min at 60 °C. XynHBN188A optimized based on codon usage bias for P. pastoris (xynHBN188As) showed an increase of 39.5% enzyme activity. The strain Y16 forming the largest hydrolysis halo in the xylan plate was used in shake flask experiments produced an enzyme activity of 6,403 U/ml. The Y16 strain had 9 copies of the recombinant xynHBN188As gene in the genome revealed by qPCR. The enzymatic activity increased to 48,241 U/ml in a 5 L fermentor. Supplement of 15 U/g xylanase enhanced the brightness of paper products by 2% in bleaching experiment, and thereby improved the tensile strength and burst factor by 13% and 6.5%, respectively. XynHBN188As has a great potential in paper industries.
Novel Ti-Ta-Hf-Zr alloys with promising mechanical properties for prospective stent applications
Authors: Lin Jixing , Ozan Sertan , Li Yuncang , Ping Dehai , Tong Xian , Li Guangyu , Wen Cuie
Published: November 2016

Titanium alloys are receiving increasing research interest for the development of metallic stent materials due to their excellent biocompatibility, corrosion resistance, non-magnetism and radiopacity. In this study, a new series of Ti-Ta-Hf-Zr (TTHZ) alloys including Ti-37Ta-26Hf-13Zr, Ti-40Ta-22Hf-11.7Zr and Ti-45Ta-18.4Hf-10Zr (wt.%) were designed using the d-electron theory combined with electron to atom ratio (e/a) and molybdenum equivalence (Moeq) approaches. The microstructure of the TTHZ alloys were investigated using optical microscopy, XRD, SEM and TEM and the mechanical properties were tested using a Vickers micro-indenter, compression and tensile testing machines. The cytocompatibility of the alloys was assessed using osteoblast-like cells in vitro. The as-cast TTHZ alloys consisted of primarily β and ω nanoparticles and their tensile strength, yield strength, Young’s modulus and elastic admissible strain
were measured as being between 1000.7–1172.8 MPa, 1000.7–1132.2 MPa, 71.7–79.1 GPa and 1.32–1.58%, respectively. The compressive yield strength of the as-cast alloys ranged from 1137.0 to 1158.0 MPa. The TTHZ alloys exhibited excellent cytocompatibility as indicated by their high cell viability ratios, which were close to that of CP-Ti. The TTHZ alloys can be anticipated to be promising metallic stent materials by virtue of the unique combination of extraordinarily high elastic admissible strain, high mechanical strength and excellent biocompatibility.
Radiation-induced magnetization reversal causing a large flux loss in undulator permanent magnets
Authors: Bizen Teruhiko , Kinjo Ryota , Hasegawa Teruaki , Kagamihata Akihiro , Kida Yuichiro , Seike Takamitsu , Watanabe Takahiro , Hara Toru , Itoga Toshiro , Asano Yoshihiro , Tanaka Takashi
Published: November 2016

We report an unexpectedly large flux loss observed in permanent magnets in one of the undulators operated in SACLA, the x-ray free electron laser facility in Japan. Characterizations of individual magnets extracted from the relevant undulator have revealed that the flux loss was caused by a homogeneous magnetization reversal extending over a wide area, but not by demagnetization of individual magnets damaged by radiation. We show that the estimated flux-loss rate is much higher than what is reported in previous papers, and its distribution is much more localized to the upstream side. Results of numerical and experimental studies carried out to validate the magnetization reversal and quantify the flux loss are presented, together with possible countermeasures against rapid degradation of the undulator performance.
Fast and simple decycling and dismantling of networks
Authors: Zdeborová Lenka , Zhang Pan , Zhou Hai-Jun
Published: November 2016

Decycling and dismantling of complex networks are underlying many important applications in network science. Recently these two closely related problems were tackled by several heuristic algorithms, simple and considerably sub-optimal, on the one hand, and involved and accurate message-passing ones that evaluate single-node marginal probabilities, on the other hand. In this paper we propose a simple and extremely fast algorithm, CoreHD, which recursively removes nodes of the highest degree from the 2-core of the network. CoreHD performs much better than all existing simple algorithms. When applied on real-world networks, it achieves equally good solutions as those obtained by the state-of-art iterative message-passing algorithms at greatly reduced computational cost, suggesting that CoreHD should be the algorithm of choice for many practical purposes.
Lack of Fibronectin Extra Domain A Alternative Splicing Exacerbates Endothelial Dysfunction in Diabetes
Authors: Gortan Cappellari Gianluca , Barazzoni Rocco , Cattin Luigi , Muro Andrés F. , Zanetti Michela
Published: November 2016

Glucose-induced changes of artery anatomy and function account for diabetic vascular complications, which heavily impact disease morbidity and mortality. Since fibronectin containing extra domain A (EDA + FN) is increased in diabetic vessels and participates to vascular remodeling, we wanted to elucidate whether and how EDA + FN is implicated in diabetes-induced endothelial dysfunction using isometric-tension recording in a murine model of diabetes. In thoracic aortas of EDA−/−, EDA+/+ (constitutively lacking and expressing EDA + FN respectively), and of wild-type mice (EDAwt/wt), streptozotocin (STZ)-induced diabetes impaired endothelial vasodilation to acetylcholine, irrespective of genotype. However STZ + EDA−/− mice exhibited increased endothelial dysfunction compared with STZ + EDA+/+ and with STZ + EDAwt/wt. Analysis of the underlying mechanisms revealed that STZ + EDA−/− mice show increased oxidative stress as demonstrated by enhanced aortic superoxide anion, nitrotyrosine levels and expression of NADPH oxidase NOX4 and TGF-β1, the last two being reverted by treatment with the antioxidant n-acetylcysteine. In contrast, NOX1 expression and antioxidant potential were similar in aortas from the three genotypes. Interestingly, reduced eNOS expression in STZ + EDA+/+ vessels is counteracted by increased eNOS coupling and function. Although EDA + FN participates to vascular remodelling, these findings show that it plays a crucial role in limiting diabetic endothelial dysfunction by preventing vascular oxidative stress.
Cortical synaptic and dendritic spine abnormalities in a presymptomatic TDP-43 model of amyotrophic lateral sclerosis
Authors: Fogarty Matthew J. , Klenowski Paul M. , Lee John D. , Drieberg-Thompson Joy R. , Bartlett Selena E. , Ngo Shyuan T. , Hilliard Massimo A. , Bellingham Mark C. , Noakes Peter G.
Published: November 2016

Layer V pyramidal neurons (LVPNs) within the motor cortex integrate sensory cues and co-ordinate voluntary control of motor output. In amyotrophic lateral sclerosis (ALS) LVPNs and spinal motor neurons degenerate. The pathogenesis of neural degeneration is unknown in ALS; 10% of cases have a genetic cause, whereas 90% are sporadic, with most of the latter showing TDP-43 inclusions. Clinical and experimental evidence implicate excitotoxicity as a prime aetiological candidate. Using patch clamp and dye-filling techniques in brain slices, combined with high-resolution confocal microscopy, we report increased excitatory synaptic inputs and dendritic spine densities in early presymptomatic mice carrying a TDP-43Q331K mutation. These findings demonstrate substantive alterations in the motor cortex neural network, long before an overt degenerative phenotype has been reported. We conclude that increased excitatory neurotransmission is a common pathophysiology amongst differing genetic cases of ALS and may be of relevance to the 95% of sporadic ALS cases that exhibit TDP-43 inclusions.
Principal function of mineralocorticoid signaling suggested by constitutive knockout of the mineralocorticoid receptor in medaka fish
Authors: Sakamoto Tatsuya , Yoshiki Madoka , Takahashi Hideya , Yoshida Masayuki , Ogino Yukiko , Ikeuchi Toshitaka , Nakamachi Tomoya , Konno Norifumi , Matsuda Kouhei , Sakamoto Hirotaka
Published: November 2016

As in osmoregulation, mineralocorticoid signaling is implicated in the control of brain-behavior actions. Nevertheless, the understanding of this role is limited, partly due to the mortality of mineralocorticoid receptor (MR)-knockout (KO) mice due to impaired Na+ reabsorption. In teleost fish, a distinct mineralocorticoid system has only been identified recently. Here, we generated a constitutive MR-KO medaka as the first adult-viable MR-KO animal, since MR expression is modest in osmoregulatory organs but high in the brain of adult medaka as for most teleosts. Hyper- and hypo-osmoregulation were normal in MR-KO medaka. When we studied the behavioral phenotypes based on the central MR localization, however, MR-KO medaka failed to track moving dots despite having an increase in acceleration of swimming. These findings reinforce previous results showing a minor role for mineralocorticoid signaling in fish osmoregulation, and provide the first convincing evidence that MR is required for normal locomotor activity in response to visual motion stimuli, but not for the recognition of these stimuli per se. We suggest that MR potentially integrates brain-behavioral and visual responses, which might be a conserved function of mineralocorticoid signaling through vertebrates. Importantly, this fish model allows for the possible identification of novel aspects of mineralocorticoid signaling.
Recognition of Mould Colony on Unhulled Paddy Based on Computer Vision using Conventional Machine-learning and Deep Learning Techniques
Authors: Sun Ke , Wang Zhengjie , Tu Kang , Wang Shaojin , Pan Leiqing
Published: November 2016

To investigate the potential of conventional and deep learning techniques to recognize the species and distribution of mould in unhulled paddy, samples were inoculated and cultivated with five species of mould, and sample images were captured. The mould recognition methods were built using support vector machine (SVM), back-propagation neural network (BPNN), convolutional neural network (CNN), and deep belief network (DBN) models. An accuracy rate of 100% was achieved by using the DBN model to identify the mould species in the sample images based on selected colour-histogram parameters, followed by the SVM and BPNN models. A pitch segmentation recognition method combined with different classification models was developed to recognize the mould colony areas in the image. The accuracy rates of the SVM and CNN models for pitch classification were approximately 90% and were higher than those of the BPNN and DBN models. The CNN and DBN models showed quicker calculation speeds for recognizing all of the pitches segmented from a single sample image. Finally, an efficient uniform CNN pitch classification model for all five types of sample images was built. This work compares multiple classification models and provides feasible recognition methods for mouldy unhulled paddy recognition.
Co thin films deposited directly on ZnO polar surfaces
Authors: Chiba Daichi , Shibata Naoya , Tsukazaki Atsushi
Published: November 2016

A ferromagnetic (FM)-metal/oxide stack is the key structure determining the performance of spintronic devices. However, the effect of the electronic polarity of the oxide on the magnetic properties of the adjacent FM-metal has not been investigated previously. Here, we report the magnetic and structural properties of Co ultra-thin films sputter deposited directly on the Zn- and O-polar surfaces of ZnO substrates. The magnetic anisotropy and Curie temperature exhibit dramatic polarity-dependent differences for films on these surfaces. Structural analyses reveal that the heterointerface of the Co/O-polar surface is rather diffusive, whereas that of the Co/Zn-polar surface is atomically flat. These results suggest that the surface polarity plays a key role in determining the properties of the film. This novel FM-metal/polar-oxide system is expected to add new functionality to spintronic devices and provide an ideal basis for investigating the effect of a built-in electric field on the magnetism in a metallic monolayer.
Engineering Genetically-Encoded Mineralization and Magnetism via Directed Evolution
Authors: Liu Xueliang , Lopez Paola A. , Giessen Tobias W. , Giles Michael , Way Jeffrey C. , Silver Pamela A.
Published: November 2016

Genetically encoding the synthesis of functional nanomaterials such as magnetic nanoparticles enables sensitive and non-invasive biological sensing and control. Via directed evolution of the natural iron-sequestering ferritin protein, we discovered key mutations that lead to significantly enhanced cellular magnetism, resulting in increased physical attraction of ferritin-expressing cells to magnets and increased contrast for cellular magnetic resonance imaging (MRI). The magnetic mutants further demonstrate increased iron biomineralization measured by a novel fluorescent genetic sensor for intracellular free iron. In addition, we engineered Escherichia coli cells with multiple genomic knockouts to increase cellular accumulation of various metals. Lastly to explore further protein candidates for biomagnetism, we characterized members of the DUF892 family using the iron sensor and magnetic columns, confirming their intracellular iron sequestration that results in increased cellular magnetization.
Mutations in Acetylcholinesterase2 (ace2) increase the insensitivity of acetylcholinesterase to fosthiazate in the root-knot nematode Meloidogyne incognita
Authors: Huang Wen-Kun , Wu Qin-Song , Peng Huan , Kong Ling-An , Liu Shi-Ming , Yin Hua-Qun , Cui Ru-Qiang , Zhan Li-Ping , Cui Jiang-Kuan , Peng De-Liang
Published: November 2016

The root-knot nematode Meloidogyne incognita causes severe damage to continuously cropping vegetables. The control of this nematode relies heavily on organophosphate nematicides in China. Here, we described resistance to the organophosphate nematicide fosthiazate in a greenhouse-collected resistant population (RP) and a laboratory susceptible population (SP) of M. incognita. Fosthiazate was 2.74-fold less toxic to nematodes from RP than that from SP. Quantitative real-time PCR revealed that the acetylcholinesterase2 (ace2) transcription level in the RP was significantly higher than that in the SP. Eighteen nonsynonymous amino acid differences in ace2 were observed between the cDNA fragments of the RP and SP. The acetylcholinesterase (AChE) protein activity in the RP was significantly reduced compared with that in the SP. After knocking down the ace2 gene, the ace2 transcription level was significantly decreased, but no negative impact on the infection of juveniles was observed. The 50% lethal concentration of the RNAi RP population decreased 40%, but the inhibition rate of fosthiazate against AChE activity was significantly increased in RP population. Thus, the increased fosthiazate insensitivity in the M. incognita resistant population was strongly associated with mutations in ace2. These results provide valuable insights into the resistance mechanism of root-knot nematode to organophosphate nematicides.
Correction: Corrigendum: Combinatorial nanocarrier based drug delivery approach for amalgamation of anti-tumor agents in breast cancer cells: an improved nanomedicine strategy
Authors: Murugan Chandran , Rayappan Kathirvel , Thangam Ramar , Bhanumathi Ramasamy , Shanthi Krishnamurthy , Vivek Raju , Thirumurugan Ramasamy , Bhattacharyya Atanu , Sivasubramanian Srinivasan , Gunasekaran Palani , Kannan Soundarapandian
Published: November 2016

Scientific Reports 6: Article number: 34053; published online: 11 October 2016; updated: 29 November 2016
Proteomic analysis of the postsynaptic density implicates synaptic function and energy pathways in bipolar disorder
Authors: Föcking M , Dicker P , Lopez L M , Hryniewiecka M , Wynne K , English J A , Cagney G , Cotter D R
Published: November 2016

The postsynaptic density (PSD) contains a complex set of proteins of known relevance to neuropsychiatric disorders such as schizophrenia and bipolar disorder. We enriched for this anatomical structure in the anterior cingulate cortex of 16 bipolar disorder samples and 20 controls from the Stanley Medical Research Institute. Unbiased shotgun proteomics incorporating label-free quantitation was used to identify differentially expressed proteins. Quantitative investigation of the PSD identified 2033 proteins, among which 288 were found to be differentially expressed. Validation of expression changes of DNM1, DTNA, NDUFV2, SEPT11 and SSBP was performed by western blotting. Bioinformatics analysis of the differentially expressed proteins implicated metabolic pathways including mitochondrial function, the tricarboxylic acid cycle, oxidative phosphorylation, protein translation and calcium signaling. The data implicate PSD-associated proteins, and specifically mitochondrial function in bipolar disorder. They relate synaptic function in bipolar disorder and the energy pathways that underpin it. Overall, our findings add to a growing literature linking the PSD and mitochondrial function in psychiatric disorders generally, and suggest that mitochondrial function associated with the PSD is particularly important in bipolar disorder.
Clozapine modifies the differentiation program of human adipocytes inducing browning
Authors: Kristóf E , Doan-Xuan Q-M , Sárvári A K , Klusóczki Á , Fischer-Posovszky P , Wabitsch M , Bacso Z , Bai P , Balajthy Z , Fésüs L
Published: November 2016

Administration of second-generation antipsychotic drugs (SGAs) often leads to weight gain and consequent cardio-metabolic side effects. We observed that clozapine but not six other antipsychotic drugs reprogrammed the gene expression pattern of differentiating human adipocytesex vivo, leading to an elevated expression of the browning marker geneUCP1, more and smaller lipid droplets and more mitochondrial DNA than in the untreated white adipocytes. Laser scanning cytometry showed that up to 40% of the differentiating single primary and Simpson–Golabi–Behmel syndrome (SGBS) adipocytes had the characteristic morphological features of browning cells. Furthermore, clozapine significantly upregulatedELOVL3,CIDEA,CYC1,PGC1AandTBX1genes but notZIC1suggesting induction of the beige-like and not the classical brown phenotype. When we tested whether browning induced by clozapine can be explained by its known pharmacological effect of antagonizing serotonin (5HT) receptors, it was found that browning cells expressed 5HT receptors 2A, 1D, 7 and the upregulation of browning markers was diminished in the presence of exogenous 5HT. Undifferentiated progenitors or completely differentiated beige or white adipocytes did not respond to clozapine administration. The clozapine-induced beige cells displayed increased basal and oligomycin-inhibited (proton leak) oxygen consumption, but these cells showed a lower response to cAMP stimulus as compared with control beige adipocytes indicating that they are less capable to respond to natural thermogenic anti-obesity cues. Our data altogether suggest that novel pharmacological stimulation of these masked beige adipocytes can be a future therapeutic target for the treatment of SGA-induced weight gain.
Lipids, lipoprotein distribution and depressive symptoms: the Multi-Ethnic Study of Atherosclerosis
Authors: Ong K L , Morris M J , McClelland R L , Maniam J , Allison M A , Rye K-A
Published: November 2016

Previous studies suggest lower concentrations of total and high-density lipoprotein (HDL) cholesterol to be predictive of depression. We therefore investigated the relationship of lipids and lipoprotein distribution with elevated depressive symptoms (EDS) in healthy men and women from the Multi-Ethnic Study of Atherosclerosis (MESA). Participants were followed up over a 9.5-year period. EDS were defined as a Center for Epidemiological Studies Depression (CES-D) score ⩾16 and/or use of antidepressant drugs. Lipoprotein distribution was determined from plasma using nuclear magnetic resonance spectroscopy. Among 4938 MESA participants (mean age=62 years) without EDS at baseline, 1178 (23.9%) developed EDS during follow-up. In multivariable Cox regression analyses, lower total, low-density lipoprotein (LDL) and non-HDL cholesterol concentrations at baseline were associated with incident EDS over 9.5 years (hazards ratio (HR)=1.11–1.12 per s.d. decrease, all P<0.01), after adjusting for demographic factors, traditional risk factors including LDL cholesterol, HDL cholesterol and triglycerides. Lipoprotein particle subclasses and sizes were not associated with incident EDS. Among participants without EDS at both baseline and visit 3, a smaller increase in total or non-HDL cholesterol between these visits was associated with lower risk of incident EDS after visit 3 (HR=0.88–0.90 per s.d. decrease, P<0.05). Lower baseline concentrations of total, LDL and non-HDL cholesterol were significantly associated with a higher risk of incident EDS. However, a short-term increase in cholesterol concentrations did not help to reduce the risk of EDS. Further studies are needed to replicate our findings in cohorts with younger participants.
Determination of catechol based on gold/Ni(OH)2 nanocomposites supported on reduced graphene oxide via a one-step wet-chemical method
Authors: Wang Huijuan , Qu Jianhang , Wang Yong , Li Shufang , Qu Jianying
Published: November 2016

Here, gold/Ni(OH)2 nanocomposites supported on reduced graphene oxide (Au/Ni(OH)2/rGO) were synthesized by a one-step wet-chemical method, which were characterized by TEM, IR, SEM, XPS and XRD techniques.
Highly sensitive poisoning-resistant optical carbon dioxide sensors for environmental monitoring
Authors: Fritzsche Eva , Gruber Pia , Schutting Susanne , Fischer Jan P. , Strobl Martin , Müller Jens D. , Borisov Sergey M. , Klimant Ingo
Published: November 2016

Resistivity of optical carbon dioxide chemosensors towards poisoning by acidic gases is significantly improved by using an additional perfluorinated polymer coating making the sensors suitable for long-term measurements.
Reduced thione ligation is preferred over neutral phosphine ligation in diiron biomimics regarding electronic functionality: a spectroscopic and computational investigation
Authors: Yen Tao-Hung , He Zong-Cheng , Lee Gene-Hsiang , Tseng Mei-Chun , Shen Yu-Hsuan , Tseng Tien-Wen , Liaw Wen-Feng , Chiang Ming-Hsi
Published: November 2016

Sulfur means superiority: effective electronic communication and buffering by sulfur ligation.
Human carnitine biosynthesis proceeds via (2S,3S)-3-hydroxy-Nε-trimethyllysine
Authors: Leśniak Robert K. , Markolovic Suzana , Tars Kaspars , Schofield Christopher J.
Published: November 2016

The stereochemistry of human trimethyllysine hydroxylase was determined to be (2S,3S)-3-hydroxy-Nε-trimethyllysine by comparison to asymmetrically synthesised (2S,3R)-3-hydroxy-Nε-trimethyllysine.
Spatially encoded 2D and 3D diffusion-ordered NMR spectroscopy
Authors: Guduff Ludmilla , Kuprov Ilya , van Heijenoort Carine , Dumez Jean-Nicolas
Published: November 2016

The separation of 2D spectra of components in mixtures is accelerated with spatial encoding.
Controlling disorder in the ZnGa2O4:Cr3+ persistent phosphor by Mg2+ substitution
Authors: Basavaraju Neelima , Priolkar Kaustubh R. , Bessière Aurélie , Sharma Suchinder K. , Gourier Didier , Binet Laurent , Viana Bruno , Emura Shuichi
Published: November 2016

The effect of Mg substitution on the structure and various types of defects introduced into the structure that affect persistent luminescence was studied.
Liberation of three dihydrogens from two ethene molecules as mediated by the tantalum nitride anion cluster Ta3N2− at room temperature
Authors: Hu Ji-Chuang , Xu Lin-Lin , Li Hai-Fang , Valdivielso David Yubero , Fielicke André , He Sheng-Gui , Ma Jia-Bi
Published: November 2016

The full dehydrogenation of C2H4 by gas-phase anions Ta3N2− as well as the structure and reactivity of the M–N–C cluster is reported for the first time.
An absorption mechanism and polarity-induced viscosity model for CO2 capture using hydroxypyridine-based ionic liquids
Authors: An Xiaowei , Du Xiao , Duan Donghong , Shi Lijuan , Hao Xiaogang , Lu Houfang , Guan Guoqing , Peng Changjun
Published: November 2016

A series of new hydroxypyridine-based ionic liquids (ILs) are synthesized and applied in CO2 capture through chemical absorption.
Solvation behavior of carbonate-based electrolytes in sodium ion batteries
Authors: Cresce Arthur V. , Russell Selena M. , Borodin Oleg , Allen Joshua A. , Schroeder Marshall A. , Dai Michael , Peng Jing , Gobet Mallory P. , Greenbaum Steven G. , Rogers Reginald E. , Xu Kang
Published: November 2016

Sodium ion batteries are on the cusp of being a commercially available technology.
Designing hierarchical hollow nanostructures of Cu2MoS4 for improved hydrogen evolution reaction
Authors: Zhang Ke , Zheng Yongli , Lin Yunxiang , Wang Changda , Liu Hengjie , Liu Daobin , Wu Chuanqiang , Chen Shuangming , Chen Yanxia , Song Li
Published: November 2016

Layered Cu2MoS4, consisting of earth-abundant elements, is regarded as a potential catalyst for the hydrogen evolution reaction (HER).
Novel multiferroic state and ME enhancement by breaking the AFM frustration in LuMn1−xO3
Authors: Figueiras F. G. , Karpinsky D. , Tavares P. B. , Gonçalves J. N. , Yañez-Vilar S. , Moreira Dos Santos A. F. , Franz A. , Tovar M. , Agostinho Moreira J. , Amaral V. S.
Published: November 2016

Controlled off-stoichiometry in LuMn0.98O3 preserves P63cm symmetry while exhibits a relevant ferromagnetic component for T < 92 K and an additional basal electric polarization not found in the utter LuMnO3.
CO oxidation on Rh-doped hexadecagold clusters
Authors: Liu Jin-Xun , Liu Zhiling , Filot Ivo A. W. , Su Yaqiong , Tranca Ionut , Hensen Emiel J. M.
Published: November 2016

Exploring the unique catalytic properties of gold clusters associated with specific nano-architectures is essential for designing improved catalysts with a high mass-specific activity.
Arabinoxylan hydrolyzates as immunomodulators in Caco-2 and HT-29 colon cancer cell lines
Authors: Mendis Mihiri , Leclerc Estelle , Simsek Senay
Published: November 2016

Structure-function relationship of wheat derived arabinoxylan hydrolyzates as immunomodulators was investigated using intestinal cell lines. Fine structural details had a strong correlation with the immunological properties of the wheat arabinoxylan hydrolyzates.
Synthesis of mesoporous WO3/TiO2 catalyst and its excellent catalytic performance for the oxidation of dibenzothiophene
Authors: Qin Yuejiao , Xun Suhang , Zhan Liangliang , Lu Qingqing , He Minqiang , Jiang Wei , Li Hongping , Zhang Ming , Zhu Wenshuai , Li Huaming
Published: November 2016

DBT could be completely oxidized to DBT sulfone (DBTO2) with the help of WO3/TiO2 catalyst and H2O2.
Structure–activity relationship of novel macrocyclic biased apelin receptor agonists
Authors: Murza Alexandre , Sainsily Xavier , Côté Jérôme , Bruneau-Cossette Laurent , Besserer-Offroy Élie , Longpré Jean-Michel , Leduc Richard , Dumaine Robert , Lesur Olivier , Auger-Messier Mannix , Sarret Philippe , Marsault Éric
Published: November 2016

Apelin is the endogenous ligand for the G protein-coupled receptor APJ and exerts a key role in regulating cardiovascular functions.
Cycloreversion of the CO2trimer: a paradigmatic pseudopericyclic [2 + 2 + 2] cycloaddition reaction
Authors: Villar López Roberto , Nieto Faza Olalla , Matito Eduard , López Carlos Silva
Published: November 2016

Very recently, the CO2trimer has been experimentally synthesized, isolated and characterized.
Conformationally superarmed S-ethyl glycosyl donors as effective building blocks for chemoselective oligosaccharide synthesis in one pot
Authors: Bandara Mithila D. , Yasomanee Jagodige P. , Rath Nigam P. , Pedersen Christian M. , Bols Mikael , Demchenko Alexei V.
Published: November 2016

A new series of superarmed glycosyl donors has been investigated.
Universal access to megastigmanes through controlled cyclisation towards highly substituted cyclohexenes
Authors: González-Delgado José A. , Romero Miguel A. , Pischel Uwe , Arteaga Jesús F.
Published: November 2016

Efficient few-step asymmetric synthesis of tectoionol B, a representative member of the megastigmane family, starting from geranylacetone via ZrCl4-mediated selective formation of the highly substituted cyclohexene skeleton.
Solvent-free electrospinning: opportunities and challenges
Authors: Zhang Bin , Yan Xu , He Hong-Wei , Yu Miao , Ning Xin , Long Yun-Ze
Published: November 2016

Electrospinning (e-spinning) has attracted tremendous attention because this technology provides a simple and versatile method for fabricating ultrafine fibers from a rich variety of materials including polymers, composites, and ceramics.
Transition-metal-free electrophilic trifluoromethylthiolation with sodium trifluoromethanesulfinate at room temperature
Authors: Bu Mei-jie , Lu Guo-ping , Cai Chun
Published: November 2016

A transition-metal-free direct trifluoromethylthiolation of C(sp2)–H bonds could be achieved with commercially available CF3SO2Na under room temperature.
Profiling changes to natively-bound metals during Caenorhabditis elegans development
Authors: Hare Dominic J. , Roberts Blaine R. , McColl Gawain
Published: November 2016

This paper describes a proof-of-concept study using SEC-ICP-MS to profile changes in metalloproteins duringCaenorhabditis elegansdevelopment.
Understanding the roles of novel electron donors in Ziegler–Natta catalyzed propylene polymerization
Authors: Ratanasak Manussada , Parasuk Vudhichai
Published: November 2016

Roles of a novel dibenzoyl sulfide donor in Ziegler–Natta (ZN) catalyzed propylene polymerization were examined using DFT calculations.
Solvent-free one-step covalent functionalization of graphene oxide and nanodiamond with amines
Authors: Alzate-Carvajal Natalia , Basiuk Elena V. , Meza-Laguna Victor , Puente-Lee Iván , Farías Mario H. , Bogdanchikova Nina , Basiuk Vladimir A.
Published: November 2016

Solvent-free covalent functionalization of graphene oxide and nanodiamond with amines was performed in one step at 150–180 °C.
Direct determination of 3-chloro-1,2-propanediol esters in beef flavoring products by ultra-performance liquid chromatography tandem quadrupole mass spectrometry
Authors: Chai Qingqing , Zhang Xiaoming , Karangwa Eric , Dai Qingyuan , Xia Shuqin , Yu Jingyang , Gao Yahui
Published: November 2016

A sensitive UPLC-TQ-MS method coupled with amino solid-phase extraction was developed for direct determination of 3-MCPD esters in the natural beef flavoring products. This method was evaluated in terms of linearity, repeatability and sensitivity.
Pyridinic nitrogen-rich carbon nanocapsules from a bioinspired polydopamine derivative for highly efficient electrocatalytic oxygen reduction
Authors: Yi Zhengran , Zhang Zheye , Wang Shuai , Shi Gaoquan
Published: November 2016

A novel bioinspired polydopamine derivative was prepared by self-polymerization of 6-(2-aminoethyl)-3-hydroxypyridin-2(1H)-one in an alkaline medium. It could be used as precursor to produce pyridinic N-rich carbon nanocapsules with a desired N doping content and superior electrocatalytic activity and stability for the ORR.
Fe incorporated α-Co(OH)2nanosheets with remarkably improved activity towards the oxygen evolution reaction
Authors: Jin Haiyan , Mao Shanjun , Zhan Guopeng , Xu Fan , Bao Xiaobing , Wang Yong
Published: November 2016

The layered Fe-doped alpha-type cobalt hydroxide (α-Co4Fe(OH)x) nanosheet exhibited superior activity towards the oxygen evolution reaction and the correlation between the Fe content and activity could be plotted as a volcano curve.
Enhancing the photothermal stability and photothermal efficacy of AuNRs and AuNTs by grafting with Ru(ii) complexes
Authors: Zhang Pingyu , Wang Jinquan , Huang Huaiyi , Qiu Kangqiang , Huang Juanjuan , Ji Liangnian , Chao Hui
Published: November 2016

In this paper, we found that the ruthenium complex-functionalized AuNRs (AuNRs@Ru) and AuNTs (AuNTs@Ru) exhibited better photothermal stability and higher photothermal efficiency than AuNRs and AuNTs.In vivotumor model studies showed that AuNRs@Ru and AuNRs@Ru were effective for the photothermal destruction of tumors.
Composite scaffolds of gelatin and gold nanoparticles with tunable size and shape for photothermal cancer therapy
Authors: Zhang Jing , Li Jingchao , Kawazoe Naoki , Chen Guoping
Published: November 2016

Composite porous scaffolds of gelatin and gold nanoparticles with tunable size and shape are prepared for the photothermal ablation of cancer cells. The cell killing efficiency of the composite scaffolds is highly dependent on the shape and size of AuNPs.
Colour tuning via crystalline site-selected energy transfer in a Sr2SiO4:Eu2+,Pr3+ phosphor
Authors: Li Ye , Wang Jing , Wang Xiao-Ming , Pan Fengjuan , Zhou Tianliang , Xie Rong-Jun
Published: November 2016

An alternative way to design new luminescent materials based on a site-selected energy transfer mechanism using high precision control of dopants.
Ambience dependent photoluminescence reveals the localization and trap filling effects in CH3NH3PbI3−xClx perovskite films
Authors: Li Jing , Yu Qianqian , Lu Bin , He Haiping , Ye Zhizhen
Published: November 2016

Surface band bending enables the separation of two components of photoluminescence in solution-processed perovskites.