bluuebunny/crossref_metadata_2025 huggingface dataset:
Developing Services for Patients with Depression or Anxiety in the Context of Long-term Physical Health Conditions and Medically Unexplained Symptoms: Evaluation of an IAPT Pathfinder Site
Authors: Kellett Stephen , Webb Kimberley , Wilkinson Nic , Bliss Paul , Ayers Tom , Hardy Gillian
Published: May 2016

Background: There are national policy drivers for mental health services to demonstrate that they are effectively meeting the psychological needs of people with long-term health conditions/medically unexplained symptoms (LTC/MUS). Aims: To evaluate the implementation of a stepped-care service delivery model within an Improving Access to Psychological Therapies (IAPT) service for patients with depression or anxiety in the context of their LTC/MUS. Method: A stepped-care model was designed and implemented. Clinical and organizational impacts were evaluated via analyses of LTC/MUS patient profiles, throughputs and outcomes. Results: The IAPT service treated N = 844 LTC and N = 172 MUS patients, with the majority (81.81%) receiving a low intensity intervention. Dropout across the service steps was low. There were few differences between LTC and MUS outcome rates regardless of step of service, but outcomes were suppressed when compared to generic IAPT patients. Conclusions: The potential contribution of IAPT stepped-care service delivery models in meeting the psychological needs of LTC/MUS patients is debated.
Positive influences of home food environment on primary-school children’s diet and weight status: a structural equation model approach
Authors: Ong Jia Xin , Ullah Shahid , Magarey Anthea , Leslie Eva
Published: May 2016

Objectives

The mechanism by which the home food environment (HFE) influences childhood obesity is unclear. The present study aimed to investigate the relationship between HFE and childhood obesity as mediated by diet in primary-school children.

Design

Cross-sectional data collected from parents and primary-school children participating in the Obesity Prevention and Lifestyle Evaluation Project. Only children aged 9–11 years participated in the study. Matched parent/child data (n3323) were analysed. Exploratory factor analysis underlined components of twenty-one HFE items; these were linked to child diet (meeting guidelines for fruit, vegetable and non-core food intakes) and measured child BMI, in structural equation modelling, adjusting for confounders.

Setting

Twenty geographically bounded metropolitan and regional South Australian communities.

Subjects

School children and their parents from primary schools in selected communities.

Results

In the initial exploratory factor analysis, nineteen items remaining extracted eight factors with eigenvalues >1·0 (72·4 % of total variance). A five-factor structure incorporating ten items described HFE. After adjusting for age, gender, socio-economic status and physical activity all associations in the model were significant (P<0·05), explaining 9·3 % and 4·5 % of the variance in child diet and BMI, respectively. A more positive HFE was directly and indirectly associated with a lower BMI in children through child diet.

Conclusions

The robust statistical methodology used in the present study provides support for a model of direct and indirect dynamics between the HFE and childhood obesity. The model can be tested in future longitudinal and intervention studies to identify the most effective components of the HFE to target in childhood obesity prevention efforts.
A novel type II collagen gene mutation in a family with spondyloepiphyseal dysplasia and extensive intrafamilial phenotypic diversity
Authors: Nakashima Yasuharu , Sakamoto Yuma , Nishimura Gen , Ikegawa Shiro , Iwamoto Yukihide
Published: May 2016

The purpose of this study was to describe a family with spondyloepiphyseal dysplasia caused by a novel type II collagen gene (COL2A1) mutation and the family’s phenotypic diversity. Clinical and radiographic examinations of skeletal dysplasia were conducted on seven affected family members across two generations. The entire coding region of COL2A1, including the flanking intron regions, was analyzed with PCR and direct sequencing. The stature of the subjects ranged from extremely short to within normal height range. Hip deformity and advanced osteoarthritis were noted in all the subjects, ranging from severe coxa plana to mild acetabular dysplasia. Atlantoaxial subluxation combined with a hypoplastic odontoid process was found in three of the subjects. Various degrees of platyspondyly were confirmed in all subjects. Genetically, a novel COL2A1 mutation (c.1349G>C, p.Gly450Ala) was identified in all the affected family members; however, it was not present in the one unaffected family member tested. We described a family with spondyloepiphyseal dysplasia and a novel COL2A1 mutation (c.1349G>C, p.Gly450Ala). Phenotypes were diverse even among individuals with the same mutation and within the same family.
Human cytomegalovirus pUL10 interacts with leukocytes and impairs TCR‐mediated T‐cell activation
Authors: Bruno Luca , Cortese Mirko , Monda Giuseppina , Gentile Michela , Calò Stefano , Schiavetti Francesca , Zedda Luisanna , Cattaneo Elena , Piccioli Diego , Schaefer Mary , Notomista Eugenio , Maione Domenico , Carfì Andrea , Merola Marcello , Uematsu Yasushi
Published: May 2016

Human cytomegalovirus (HCMV) is known to exert suppressive effects on the host immune system through expression of various viral genes, thus directly and indirectly affecting antiviral immunity of the infected individuals. We report here that HCMV UL10 encodes a protein (pUL10) with immunosuppressive properties. UL10 has been classified as a member of the HCMV RL11 gene family. Although pUL10 is known to be dispensable for viral replication in cultured cells, its amino‐acid sequence is well conserved among different HCMV isolates, suggesting that the protein has a crucial role in viral survival in the host environment. We show that pUL10 is cleaved from the cell surface of fibroblasts as well as epithelial cells and interacts with a cellular receptor ubiquitously expressed on the surface of human leukocytes, demonstrated by ex vivo cell‐based assays and flow cytometric analyses on both lymphoid cell lines and primary blood cells. Furthermore, preincubation of peripheral blood mononuclear cells with purified pUL10 ectodomain results in significantly impaired proliferation and substantially reduced pro‐inflammatory cytokine production, in particular in CD4+ T cells upon in vitro T‐cell stimulation. The inhibitory effect of pUL10 is also observed on antigen receptor‐mediated intracellular tyrosine phosphorylation in a T‐cell line. Based on these observations, we suggest that pUL10 is a newly identified immunomodulatory protein encoded by HCMV. Further elucidation of interactions between pUL10 and the host immune system during HCMV may contribute to finding ways towards new therapies for HCMV infection.
A curated and standardized adverse drug event resource to accelerate drug safety research
Authors: Banda Juan M. , Evans Lee , Vanguri Rami S. , Tatonetti Nicholas P. , Ryan Patrick B. , Shah Nigam H.
Published: May 2016

Identification of adverse drug reactions (ADRs) during the post-marketing phase is one of the most important goals of drug safety surveillance. Spontaneous reporting systems (SRS) data, which are the mainstay of traditional drug safety surveillance, are used for hypothesis generation and to validate the newer approaches. The publicly available US Food and Drug Administration (FDA) Adverse Event Reporting System (FAERS) data requires substantial curation before they can be used appropriately, and applying different strategies for data cleaning and normalization can have material impact on analysis results. We provide a curated and standardized version of FAERS removing duplicate case records, applying standardized vocabularies with drug names mapped to RxNorm concepts and outcomes mapped to SNOMED-CT concepts, and pre-computed summary statistics about drug-outcome relationships for general consumption. This publicly available resource, along with the source code, will accelerate drug safety research by reducing the amount of time spent performing data management on the source FAERS reports, improving the quality of the underlying data, and enabling standardized analyses using common vocabularies.
Integrative microbial community analysis reveals full-scale enhanced biological phosphorus removal under tropical conditions
Authors: Law Yingyu , Kirkegaard Rasmus Hansen , Cokro Angel Anisa , Liu Xianghui , Arumugam Krithika , Xie Chao , Stokholm-Bjerregaard Mikkel , Drautz-Moses Daniela I. , Nielsen Per Halkjær , Wuertz Stefan , Williams Rohan B. H.
Published: May 2016

Management of phosphorus discharge from human waste is essential for the control of eutrophication in surface waters. Enhanced biological phosphorus removal (EBPR) is a sustainable, efficient way of removing phosphorus from waste water without employing chemical precipitation, but is assumed unachievable in tropical temperatures due to conditions that favour glycogen accumulating organisms (GAOs) over polyphosphate accumulating organisms (PAOs). Here, we show these assumptions are unfounded by studying comparative community dynamics in a full-scale plant following systematic perturbation of operational conditions, which modified community abundance, function and physicochemical state. A statistically significant increase in the relative abundance of the PAO Accumulibacter was associated with improved EBPR activity. GAO relative abundance also increased, challenging the assumption of competition. An Accumulibacter bin-genome was identified from a whole community metagenomic survey, and comparative analysis against extant Accumulibacter genomes suggests a close relationship to Type II. Analysis of the associated metatranscriptome data revealed that genes encoding proteins involved in the tricarboxylic acid cycle and glycolysis pathways were highly expressed, consistent with metabolic modelling results. Our findings show that tropical EBPR is indeed possible, highlight the translational potential of studying competition dynamics in full-scale waste water communities and carry implications for plant design in tropical regions.
DgcA, a diguanylate cyclase from Xanthomonas oryzae pv. oryzae regulates bacterial pathogenicity on rice
Authors: Su Jianmei , Zou Xia , Huang Liangbo , Bai Tenglong , Liu Shu , Yuan Meng , Chou Shan-Ho , He Ya-Wen , Wang Haihong , He Jin
Published: May 2016

Xanthomonas oryzae pv. oryzae (Xoo) is the causal agent of rice blight disease as well as a serious phytopathogen worldwide. It is also one of the model organisms for studying bacteria-plant interactions. Current progress in bacterial signal transduction pathways has identified cyclic di-GMP as a major second messenger molecule in controlling Xanthomonas pathogenicity. However, it still remains largely unclear how c-di-GMP regulates the secretion of bacterial virulence factors in Xoo. In this study, we focused on the important roles played by DgcA (XOO3988), one of our previously identified diguanylate cyclases in Xoo, through further investigating the phenotypes of several dgcA-related mutants, namely, the dgcA-knockout mutant ΔdgcA, the dgcA overexpression strain OdgcA, the dgcA complemented strain CdgcA and the wild-type strain. The results showed that dgcA negatively affected virulence, EPS production, bacterial autoaggregation and motility, but positively triggered biofilm formation via modulating the intracellular c-di-GMP levels. RNA-seq data further identified 349 differentially expressed genes controlled by DgcA, providing a foundation for a more solid understanding of the signal transduction pathways in Xoo. Collectively, the present study highlights DgcA as a major regulator of Xoo virulence and can serve as a potential target for preventing rice blight diseases.
Long-distance temporal quantum ghost imaging over optical fibers
Authors: Dong Shuai , Zhang Wei , Huang Yidong , Peng Jiangde
Published: May 2016

Since the first quantum ghost imaging (QGI) experiment in 1995, many QGI schemes have been put forward. However, the position-position or momentum-momentum correlation required in these QGI schemes cannot be distributed over optical fibers, which limits their large-scale geographical applications. In this paper, we propose and demonstrate a scheme for long-distance QGI utilizing frequency correlated photon pairs. In this scheme, the frequency correlation is transformed to the correlation between the illuminating position of one photon and the arrival time of the other photon, by which QGI can be realized in the time domain. Since frequency correlation can be preserved when the photon pairs are distributed over optical fibers, this scheme provides a way to realize long-distance QGI over large geographical scale. In the experiment, long-distance QGI over 50 km optical fibers has been demonstrated.
Strain-induced growth instability and nanoscale surface patterning in perovskite thin films
Authors: Pandya Shishir , Damodaran Anoop R. , Xu Ruijuan , Hsu Shang-Lin , Agar Joshua C. , Martin Lane W.
Published: May 2016

Despite extensive studies on the effects of epitaxial strain on the evolution of the lattice and properties of materials, considerably less work has explored the impact of strain on growth dynamics. In this work, we demonstrate a growth-mode transition from 2D-step flow to self-organized, nanoscale 3D-island formation in PbZr0.2Ti0.8O3/SrRuO3/SrTiO3 (001) heterostructures as the kinetics of the growth process respond to the evolution of strain. With increasing heterostructure thickness and misfit dislocation formation at the buried interface, a periodic, modulated strain field is generated that alters the adatom binding energy and, in turn, leads to a kinetic instability that drives a transition from 2D growth to ordered, 3D-island formation. The results suggest that the periodically varying binding energy can lead to inhomogeneous adsorption kinetics causing preferential growth at certain sites. This, in conjunction with the presence of an Ehrlich-Schwoebel barrier, gives rise to long-range, periodically-ordered arrays of so-called “wedding cake” 3D nanostructures which self-assemble along the [100] and [010].
Limited value of pro-inflammatory oxylipins and cytokines as circulating biomarkers in endometriosis – a targeted ‘omics study
Authors: Lee Yie Hou , Cui Liang , Fang Jinling , Chern Bernard Su Min , Tan Heng Hao , Chan Jerry K. Y.
Published: May 2016

Endometriosis is a common, complex gynecologic disorder characterized by the presence of endometrial-like tissues at extrauterine sites. Elevation in protein and lipid mediators of inflammation including oxylipins and cytokines within the peritoneum characterize the inflamed pelvic region and may contribute to the survival and growth of displaced endometrial tissues. The presence of a clinically silent but molecularly detectable systemic inflammation in endometriosis has been proposed. Thus, we examined serum oxylipin and immunomodulatory protein levels in 103 women undergoing laparoscopy to evaluate systematically any involvement in systemic pathophysiological inflammation in endometriosis. Oxylipin levels were similar between women with and without endometriosis. Stratification by menstrual phase or severity did not offer any difference. Women with ovarian endometriosis had significantly lower 12-HETE relative to peritoneal endometriosis (−50.7%). Serum oxylipin levels were not associated with pre-operative pain symptoms. Changes to immunomodulatory proteins were minimal, with IL-12(p70), IL-13 and VEGF significantly lower in mild endometriotic women compared to non-endometriotic women (−39%, −54% and −76% respectively). Verification using C-reactive protein as a non-specific marker of inflammation further showed similar levels between groups. The implications of our work suggest pro-inflammatory mediators in the classes studied may have potentially limited value as circulating biomarkers for endometriosis, suggesting of potentially tenuous systemic inflammation in endometriosis.
On the Variability and Increasing Trends of Heat Waves over India
Authors: Rohini P. , Rajeevan M. , Srivastava A. K.
Published: May 2016

Over India, heat waves occur during the summer months of April to June. A gridded daily temperature data set for the period, 1961–2013 has been analyzed to examine the variability and trends in heat waves over India. For identifying heat waves, the Excess Heat Factor (EHF) and 90th percentile of maximum temperatures were used. Over central and northwestern parts of the country, frequency, total duration and maximum duration of heat waves are increasing. Anomalous persistent high with anti-cyclonic flow, supplemented with clear skies and depleted soil moisture are primarily responsible for the occurrence of heat waves over India. Variability of heat waves over India is influenced by both the tropical Indian Ocean and central Pacific SST anomalies. The warming of the tropical Indian Ocean and more frequent El Nino events in future may further lead to more frequent and longer lasting heat waves over India.
Black perithecial pigmentation in Fusarium species is due to the accumulation of 5-deoxybostrycoidin-based melanin
Authors: Frandsen Rasmus J. N. , Rasmussen Silas A. , Knudsen Peter B. , Uhlig Silvio , Petersen Dirk , Lysøe Erik , Gotfredsen Charlotte H. , Giese Henriette , Larsen Thomas O.
Published: May 2016

Biosynthesis of the black perithecial pigment in the filamentous fungus Fusarium graminearum is dependent on the polyketide synthase PGL1 (oPKS3). A seven-membered PGL1 gene cluster was identified by over-expression of the cluster specific transcription factor pglR. Targeted gene replacement showed that PGL1, pglJ, pglM and pglV were essential for the production of the perithecial pigment. Over-expression of PGL1 resulted in the production of 6-O-demethyl-5-deoxybostrycoidin (1), 5-deoxybostrycoidin (2), and three novel compounds 5-deoxybostrycoidin anthrone (3), 6-O-demethyl-5-deoxybostrycoidin anthrone (4) and purpurfusarin (5). The novel dimeric bostrycoidin purpurfusarin (5) was found to inhibit the growth of Candida albicans with an IC50 of 8.0 +/− 1.9 μM. The results show that Fusarium species with black perithecia have a previously undescribed form of 5-deoxybostrycoidin based melanin in their fruiting bodies.
Controllability of protein-protein interaction phosphorylation-based networks: Participation of the hub 14-3-3 protein family
Authors: Uhart Marina , Flores Gabriel , Bustos Diego M.
Published: May 2016

Posttranslational regulation of protein function is an ubiquitous mechanism in eukaryotic cells. Here, we analyzed biological properties of nodes and edges of a human protein-protein interaction phosphorylation-based network, especially of those nodes critical for the network controllability. We found that the minimal number of critical nodes needed to control the whole network is 29%, which is considerably lower compared to other real networks. These critical nodes are more regulated by posttranslational modifications and contain more binding domains to these modifications than other kinds of nodes in the network, suggesting an intra-group fast regulation. Also, when we analyzed the edges characteristics that connect critical and non-critical nodes, we found that the former are enriched in domain-to-eukaryotic linear motif interactions, whereas the later are enriched in domain-domain interactions. Our findings suggest a possible structure for protein-protein interaction networks with a densely interconnected and self-regulated central core, composed of critical nodes with a high participation in the controllability of the full network and less regulated peripheral nodes. Our study offers a deeper understanding of complex network control and bridges the controllability theorems for complex networks and biological protein-protein interaction phosphorylation-based networked systems.
An efficient algorithm to identify the optimal one-bit perturbation based on the basin-of-state size of Boolean networks
Authors: Hu Mingxiao , Shen Liangzhong , Zan Xiangzhen , Shang Xuequn , Liu Wenbin
Published: May 2016

Boolean networks are widely used to model gene regulatory networks and to design therapeutic intervention strategies to affect the long-term behavior of systems. In this paper, we investigate the less-studied one-bit perturbation, which falls under the category of structural intervention. Previous works focused on finding the optimal one-bit perturbation to maximally alter the steady-state distribution (SSD) of undesirable states through matrix perturbation theory. However, the application of the SSD is limited to Boolean networks with about ten genes. In 2007, Xiao et al. proposed to search the optimal one-bit perturbation by altering the sizes of the basin of attractions (BOAs). However, their algorithm requires close observation of the state-transition diagram. In this paper, we propose an algorithm that efficiently determines the BOA size after a perturbation. Our idea is that, if we construct the basin of states for all states, then the size of the BOA of perturbed networks can be obtained just by updating the paths of the states whose transitions have been affected. Results from both synthetic and real biological networks show that the proposed algorithm performs better than the exhaustive SSD-based algorithm and can be applied to networks with about 25 genes.
Local anesthetic bupivacaine induced ovarian and prostate cancer apoptotic cell death and underlying mechanisms in vitro
Authors: Xuan Wei , Zhao Hailin , Hankin James , Chen Lin , Yao Shanglong , Ma Daqing
Published: May 2016

Retrospective studies indicate that the use of regional anesthesia can reduce cancer recurrence after surgery which could be due to ranging from immune function preservation to direct molecular mechanisms. This study was to investigate the effects of bupivacaine on ovarian and prostate cancer cell biology and the underlying molecular mechanisms. Cell viability, proliferation and migration of ovarian carcinoma (SKOV-3) and prostate carcinoma (PC-3) were examined following treatment with bupivacaine. Cleaved caspase 3, 8 and 9 and GSK-3β, pGSK-3βtyr216 and pGSK-3βser9 expression were assessed by immunofluorescence. FAS ligand neutralization, caspase and GSK-3 inhibitors and GSK-3β siRNA were applied to further explore underlying mechanisms. Clinically relevant concentrations of bupivacaine reduced cell viability and inhibited cellular proliferation and migration in both cell lines. Caspase 8 and 9 inhibition generated partial cell death reversal in SKOV-3, whilst only caspase 9 was effective in PC-3. Bupivacaine increased the phosphorylation of GSK-3βTyr216 in SKOV-3 but without measurable effect in PC3. GSK-3β inhibition and siRNA gene knockdown decreased bupivacaine induced cell death in SKOV-3 but not in PC3. Our data suggests that bupivacaine has direct ‘anti-cancer’ properties through the activation of intrinsic and extrinsic apoptotic pathways in ovarian cancer but only the intrinsic pathway in prostate cancer.
TNFα promotes CAR-dependent migration of leukocytes across epithelial monolayers
Authors: Morton Penny E. , Hicks Alexander , Ortiz-Zapater Elena , Raghavan Swetavalli , Pike Rosemary , Noble Alistair , Woodfin Abigail , Jenkins Gisli , Rayner Emma , Santis George , Parsons Maddy
Published: May 2016

Trans-epithelial migration (TEpM) of leukocytes during inflammation requires engagement with receptors expressed on the basolateral surface of the epithelium. One such receptor is Coxsackie and Adenovirus Receptor (CAR) that binds to Junctional Adhesion Molecule-like (JAM-L) expressed on leukocytes. Here we provide the first evidence that efficient TEpM of monocyte-derived THP-1 cells requires and is controlled by phosphorylation of CAR. We show that TNFα acts in a paracrine manner on epithelial cells via a TNFR1-PI3K-PKCδ pathway leading to CAR phosphorylation and subsequent transmigration across cell junctions. Moreover, we show that CAR is hyper-phosphorylated in vivo in acute and chronic lung inflammation models and this response is required to facilitate immune cell recruitment. This represents a novel mechanism of feedback between leukocytes and epithelial cells during TEpM and may be important in controlling responses to pro-inflammatory cytokines in pathological settings.
Irc3 is a mitochondrial DNA branch migration enzyme
Authors: Gaidutšik Ilja , Sedman Tiina , Sillamaa Sirelin , Sedman Juhan
Published: May 2016

Integrity of mitochondrial DNA (mtDNA) is essential for cellular energy metabolism. In the budding yeast Saccharomyces cerevisiae, a large number of nuclear genes influence the stability of mitochondrial genome; however, most corresponding gene products act indirectly and the actual molecular mechanisms of mtDNA inheritance remain poorly characterized. Recently, we found that a Superfamily II helicase Irc3 is required for the maintenance of mitochondrial genome integrity. Here we show that Irc3 is a mitochondrial DNA branch migration enzyme. Irc3 modulates mtDNA metabolic intermediates by preferential binding and unwinding Holliday junctions and replication fork structures. Furthermore, we demonstrate that the loss of Irc3 can be complemented with mitochondrially targeted RecG of Escherichia coli. We suggest that Irc3 could support the stability of mtDNA by stimulating fork regression and branch migration or by inhibiting the formation of irregular branched molecules.
Densely charged polyelectrolyte-stuffed nanochannel arrays for power generation from salinity gradient
Authors: Kwak Su Hong , Kwon Seung-Ryong , Baek Seol , Lim Seung-Min , Joo Young-Chang , Chung Taek Dong
Published: May 2016

We devised anodized aluminium oxide (AAO) frame-supported polyelectrolytic ion-exchange membranes for the application of electrical power generation systems where salinity differences are present. A series of polyelectrolytic AAO membranes (PAMs) were fabricated as a function of concentration of monomers and cross-linkers. Of the ion-selective PAMs as made, the membranes from the most concentrated monomers and cross-linkers, C-PAM100 and A-PAM100, showed the highest area resistances and permselectivities (the resistances were 4.9 and 2.9 Ω · cm2, the permseletivities for C-PAM100 and A-PAM100 were 99 and 89%, respectively). The measured resistances and permselectivities allowed the power density to be estimated for C-PAM100 and A-PAM100, 3.5 W/m2, and experimentally obtained power density using a reverse electrodialysis (RED) stack was 17.3 mW/m2. In addition, we investigated the influence of an AAO framework on a membrane resistance by comparing the PAMs with polyelectrolyte-stuffed capillaries, revealing that the resistance of the PAM has plenty of potential to be further reduced by optimizing the AAO pore spaces.
Novel small molecule 11β-HSD1 inhibitor from the endophytic fungus Penicillium commune
Authors: Sun Weiguang , Chen Xintao , Tong Qingyi , Zhu Hucheng , He Yan , Lei Liang , Xue Yongbo , Yao Guangmin , Luo Zengwei , Wang Jianping , Li Hua , Zhang Yonghui
Published: May 2016

Two new phenone derivatives penicophenones A (1) and B (2), a new cyclic tetrapeptide penicopeptide A (3) and five known compounds were isolated from the culture broth of Penicillium commune, an endophytic fungus derived from Vitis vinifera. Compounds 1–3 were elucidated by extensive spectroscopic analyses including 1D and 2D NMR and HRESIMS. The absolute configurations of 1 and 3 were determined by comparing its ECD with related molecules and modified Marfey’s analysis, respectively. Penicophenone A (1) possesses a rare benzannulated 6,6-spiroketal moiety, which is a new member of the unusual structural class with peniphenone A as the representative. Compound 3 exhibited significant inhibition activities against 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) in vitro and showed strong binding affinity to 11β-HSD1. Moreover, compound 3 treatments decreased the lipid droplet accumulation associate with the inhibition of 11β-HSD1 expression in differentiate-induced 3T3-L1 preadipocytes. Furthermore, the molecular docking demonstrated that compound 3 coordinated in the active site of 11β-HSD1 is essential for the ability of diminishing the enzyme activity.
Freeze-drying of “pearl milk tea”: A general strategy for controllable synthesis of porous materials
Authors: Zhou Yingke , Tian Xiaohui , Wang Pengcheng , Hu Min , Du Guodong
Published: May 2016

Porous materials have been widely used in many fields, but the large-scale synthesis of materials with controlled pore sizes, pore volumes, and wall thicknesses remains a considerable challenge. Thus, the controllable synthesis of porous materials is of key general importance. Herein, we demonstrate the “pearl milk tea” freeze-drying method to form porous materials with controllable pore characteristics, which is realized by rapidly freezing the uniformly distributed template-containing precursor solution, followed by freeze-drying and suitable calcination. This general and convenient method has been successfully applied to synthesize various porous phosphate and oxide materials using different templates. The method is promising for the development of tunable porous materials for numerous applications of energy, environment, and catalysis, etc.
Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O
Authors: Bajpe Sneha R. , Henke Sebastian , Lee Jung-Hoon , Bristowe Paul D. , Cheetham Anthony K.
Published: May 2016

Three highly crystalline Cu(ii)-polyoxometalate (POM) complexes, [Cu1.5(H2O)7.5PW12O40]·4.75H2O and cis- and trans-[Cu2(H2O)10SiW12O40]·6H2O, were successfully synthesized and characterized by single crystal and powder X-ray diffraction as well as thermogravimetric analysis.
Temperature dependence of the electrode potential of a cobalt-based redox couple in ionic liquid electrolytes for thermal energy harvesting
Authors: He Jiangjing , Al-Masri Danah , MacFarlane Douglas R. , Pringle Jennifer M.
Published: May 2016

Increasing the application of technologies for harvesting waste heat could make a significant contribution to sustainable energy production. Thermoelectrochemical cells are one such emerging technology, where the thermal response of a redox couple in an electrolyte is used to generate a potential difference across a cell when a temperature gradient exists. The unique physical properties of ionic liquids make them ideal for application as electrolytes in these devices. One of the keys to utilizing these media in efficient thermoelectrochemical cells is achieving high Seebeck coefficients, Se: the thermodynamic quantity that determines the magnitude of the voltage achieved per unit temperature difference. Here, we report the Se and cell performance of a cobalt-based redox couple in a range of different ionic liquids, to investigate the influence of the nature of the IL on the thermodynamics and cell performance of the redox system. The results reported include the highest Se to-date for an IL-based electrolyte. The effect of diluting the different ILs with propylene carbonate is also reported, which results in a significant increase in the output powers and current densities of the device.
Determination of phenanthrenes and stilbenoid in the ethyl acetate extract of Thunia alba (Lindl) by HPLC-DAD
Authors: Yan He-Gui , Zhao Hui-Ran , Hu Jun , Lu An-Mei , Fu Xue-Mei , Jia Bao , Yang Ming-Hui
Published: May 2016

The target of this work was to determine the amount of phenanthrenes and stilbenoid in the ethyl acetate extract of Thunia alba (Lindl).
Speciation and determination of Cr(iii) and Cr(vi) by directly suspended droplet microextraction coupled with flame atomic absorption spectrometry: an application of central composite design strategy as an experimental design tool
Authors: Fakhriyan Gholamreza , Mousavi Hassan Zavvar , Sajjadi S. Maryam
Published: May 2016

Directly suspended droplet microextraction combined with flame atomic absorption spectrometry was successful in the speciation and pre-concentration of Cr(iii) and Cr(vi).
Facile synthesis of a highly SERS active nanosilver sol using microwaves and its application in the detection of E. coli using Victoria blue B as a molecular probe
Authors: Wang Yaohui , Zhang Xinghui , Wen Guiqing , Liang Aihui , Jiang Zhiliang
Published: May 2016

A green microwave procedure was developed to synthesize highly surface-enhanced Raman scattering (SERS) active silver nanoparticles (AgNPs) with a resonance Rayleigh scattering (RRS) peak at 450 nm, and a new SERS enhancement mechanism was proposed.
The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins – different outcomes
Authors: Sidelnikov A. A. , Chizhik S. A. , Zakharov B. A. , Chupakhin A. P. , Boldyreva E. V.
Published: May 2016

The effect of thermal strain on the rate of photoisomerization is qualitatively different from the effect of strain generated by elastic loading.
Insights into the initial stages of lipid-mediated haemozoin nucleation
Authors: Kuter David , Mohunlal Roxanne , Fitzroy Sharné-Maré , Asher Constance , Smith Peter J. , Egan Timothy J. , de Villiers Katherine A.
Published: May 2016

Lipid-mediated haemozoin nucleation, as probed by molecular dynamics, proceeds via aggregation of ferrihaem π–π dimers at a lipid–aqueous interface.
Computational insights into intriguing vibration-induced pulsing diradical character in perfluoropentacene and the perfluorination effect
Authors: Zhang Fengying , Feng Yiwei , Song Xinyu , Bu Yuxiang
Published: May 2016

Molecular vibrations can induce the hidden diradical character to appear with pulsing properties in perfluoropentacene.
Insight into the mechanism and site-selectivity of Rh2II,II(esp)2-catalyzed intermolecular C–H amination
Authors: Wang Juping , Zhao Cunyuan , Weng Yuping , Xu Huiying
Published: May 2016

The mechanisms and site-selective determinants of Rh2II,II(esp)2-catalyzed intermolecular C–H bond aminations of three isoamylbenzene-derived substrates, p-R–C6H4(CH2)2CH(CH3)2 (R = OCH3, H, CF3), have been investigated by the density functional theory (BPW91) method.
Understanding oxidative dehydrogenation of ethane on Co3O4 nanorods from density functional theory
Authors: Fung Victor , Tao Franklin (Feng) , Jiang De-en
Published: May 2016

Density functional theory calculations reveal the complete pathways of oxidative dehydrogenation of ethane to form ethene on the Co3O4(111) surface and the rate-determining step.
High-energy-density lithium-ion battery using a carbon-nanotube–Si composite anode and a compositionally graded Li[Ni0.85Co0.05Mn0.10]O2 cathode
Authors: Lee Joo Hyeong , Yoon Chong S. , Hwang Jang-Yeon , Kim Sung-Jin , Maglia Filippo , Lamp Peter , Myung Seung-Taek , Sun Yang-Kook
Published: May 2016

A Li-rechargeable battery system based on state-of-the-art cathode and anode technologies demonstrated high energy density, meeting demands for vehicle application.
Low temperature hydrothermal synthesis mechanism and thermal stability of p-type CuMnO2 nanocrystals
Authors: Xiong Dehua , Zhang Qingqing , Du Zijuan , Verma Santosh Kumar , Li Hong , Zhao Xiujian
Published: May 2016

We first report an oxidation–reduction reaction mechanism for the hydrothermal synthesis of CuMnO2 nanocrystals at the low temperature of 80 °C.
NiCo alloy nanoparticles anchored on polypyrrole/reduced graphene oxide nanocomposites for nonenzymatic glucose sensing
Authors: Sheng Qinglin , Liu Duo , Zheng Jianbin
Published: May 2016

The combination of PPy and graphene oxide was used as an effective supporting substrate for the loading of alloys.
Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates
Authors: Wang Fei , Zhao Liang , You Jingsong , Wang Mei-Xiang
Published: May 2016

Cu(ii)-mediated arene C–H bond trifluoromethylthiolation with Me4NSCF3proceedsviaarylcopper(iii) intermediates to produce functionalized azacalix[1]arene[3]pyridine macrocycles.
Modulation of charge carrier mobility by side-chain engineering of bi(thienylenevinylene)thiophene containing PPE–PPVs
Authors: Jadhav Rupali R. , Camaioni Nadia , Oppelt Kerstin , Tinti Francesca , Gazzano Massimo , Fattori Valeria , Wadgaonkar Prakash P. , Rathgeber Silke , Hoppe Harald , Egbe Daniel A. M.
Published: May 2016

A dramatic effect of octyloxy side-chains on charge carrier mobility of new PPE–PPVs incorporating lateral bi(thienylenevinylene)thiophene units was observed.
PVD multilayer VN–VN/Ag composite coating with adaptive lubricious behavior from 25 to 700 °C
Authors: Mu Yongtao , Liu Ming , Wang Yongxin , Liu Eryong
Published: May 2016

The doping of Ag nanoparticles in a VN matrix was developed on Inconel 718 and Si (100) substrates using a multi-arc ion plating technique.
Aqueous phase hydrogenation of furfural to tetrahydrofurfuryl alcohol on alkaline earth metal modified Ni/Al2O3
Authors: Yang Yanliang , Ma Jiping , Jia Xiuquan , Du Zhongtian , Duan Ying , Xu Jie
Published: May 2016

Furfural was converted to tetrahydrofurfuryl alcohol with high yield in water on alkaline earth metal modified Ni/Al2O3.
Targeted metabolomics of nonhuman primate serum after exposure to ionizing radiation: potential tools for high-throughput biodosimetry
Authors: Pannkuk Evan L. , Laiakis Evagelia C. , Authier Simon , Wong Karen , Fornace Albert J.
Published: May 2016

There is a need for research to rapidly determine an individual's absorbed dose and its potential health effects after a potential radiological or nuclear event that could expose large portions of a population to ionizing radiation (IR).
Selective topotecan delivery to cancer cells by targeted pH-sensitive mesoporous silica nanoparticles
Authors: Martínez-Carmona M. , Lozano D. , Colilla M. , Vallet-Regí M.
Published: May 2016

Topotecan targeted pH-sensitive delivery system based in mesoporous silica nanoparticles coated with a multifunctional biopolymer coating for cancer therapy.
Supramolecular block copolymer photovoltaics through ureido-pyrimidinone hydrogen bonding interactions
Authors: Lin Yen-Hao , Nie Wanyi , Tsai Hsinhan , Li Xiaoyi , Gupta Gautam , Mohite Aditya D. , Verduzco Rafael
Published: May 2016

Hydrogen bonding interactions are incorporated into a model polymer-blend OPV system through self-associative endgroups. Supramolecular interactions are shown to increase the resistance for both charge recombination and bulk charge transport.
Single image dehazing with bright object handling
Authors: Riaz Irfan , Fan Xue , Shin Hyunchul
Published: May 2016

This study addresses the shortcomings of the dark channel prior (DCP). The authors propose a new and efficient method for transmission estimation with bright‐object handling capability. Based on the intensity value of a bright surface, they categorise DCP failures into two types: (i) obvious failure: occurs on surfaces that are brighter than ambient light. They show that, for these surfaces, altering the transmission value proportional to the brightness is better than the thresholding strategy; (ii) non‐obvious failure: occurs on surfaces that are brighter than the neighbourhood average haziness value. Based on the observation that the transmission of a surface is loosely connected to its neighbours, the local average haziness value is used to recompute the transmission of such surfaces. This twofold strategy produces a better estimate of block and pixel‐level haze thickness than DCP. To reduce haloes, a reliability map of block‐level haze is generated. Then, via reliability‐guided fusion of block‐ and pixel‐level haze values, a high‐quality refined transmission is obtained. Experimental results show that the authors’ method competes well with state‐of‐the‐art methods in typical benchmark images while outperforming these methods in more challenging scenarios. The authors’ proposed reliability‐guided fusion technique is about 60 times faster than other well‐known DCP‐based approaches.
Erratum: A feminist genealogy of posthuman aesthetics in the visual arts
Authors: Ferrando Francesca
Published: May 2016

Correction to: Palgrave Communications (2016) 2, Article number: 16011. doi: 10.1057/palcomms.2016.11; Published 10 May 2016; Updated 19 May 2016 The statement “This article is published as part of a collection dedicated to multi- and interdisciplinary perspectives on gender studies.” was incorrectly inserted at the end of the Introduction.
Differential geometric invariants for time-reversal symmetric Bloch-bundles: The “Real” case
Authors: De Nittis Giuseppe , Gomi Kiyonori
Published: May 2016

Topological quantum systems subjected to an even (resp. odd) time-reversal symmetry can be classified by looking at the related “Real” (resp. “Quaternionic”) Bloch-bundles. If from one side the topological classification of these time-reversal vector bundle theories has been completely described in De Nittis and Gomi [J. Geom. Phys. 86, 303–338 (2014)] for the “Real” case and in De Nittis and Gomi [Commun. Math. Phys. 339, 1–55 (2015)] for the “Quaternionic” case, from the other side it seems that a classification in terms of differential geometric invariants is still missing in the literature. With this article and its companion [G. De Nittis and K. Gomi (unpublished)] we want to cover this gap. More precisely, we extend in an equivariant way the theory of connections on principal bundles and vector bundles endowed with a time-reversal symmetry. In the “Real” case we generalize the Chern-Weil theory and we show that the assignment of a “Real” connection, along with the related differential Chern class and its holonomy, suffices for the classification of “Real” vector bundles in low dimensions.
Adaptive time steps in trajectory surface hopping simulations
Authors: Spörkel Lasse , Thiel Walter
Published: May 2016

Trajectory surface hopping (TSH) simulations are often performed in combination with active-space multi-reference configuration interaction (MRCI) treatments. Technical problems may arise in such simulations if active and inactive orbitals strongly mix and switch in some particular regions. We propose to use adaptive time steps when such regions are encountered in TSH simulations. For this purpose, we present a computational protocol that is easy to implement and increases the computational effort only in the critical regions. We test this procedure through TSH simulations of a GFP chromophore model (OHBI) and a light-driven rotary molecular motor (F-NAIBP) on semiempirical MRCI potential energy surfaces, by comparing the results from simulations with adaptive time steps to analogous ones with constant time steps. For both test molecules, the number of successful trajectories without technical failures rises significantly, from 53% to 95% for OHBI and from 25% to 96% for F-NAIBP. The computed excited-state lifetime remains essentially the same for OHBI and increases somewhat for F-NAIBP, and there is almost no change in the computed quantum efficiency for internal rotation in F-NAIBP. We recommend the general use of adaptive time steps in TSH simulations with active-space CI methods because this will help to avoid technical problems, increase the overall efficiency and robustness of the simulations, and allow for a more complete sampling.
Thermal conductivity of liquid argon in nanochannels from molecular dynamics simulations
Authors: Hyżorek Krzysztof , Tretiakov Konstantin V.
Published: May 2016

The thermal conductivity of liquid argon in nanochannels has been calculated over a wide range of densities using two independent methods—the Green-Kubo approach in equilibrium molecular dynamics simulations and the Müller-Plathe method in non-equilibrium molecular dynamics simulations. The Lennard-Jones potential was used to model interatomic interactions. The influence of transversal size and shape of a nanochannel on the thermal conductivity of liquid argon along the length of the channel has been investigated. The transversal size of nanochannel varied from 2.25 nm to 15 nm. The simulations revealed that the thermal conductivity weakly depends on the shape (square vs circular) of channel and scales with a cross-sectional area of nanochannel. It has been observed that thermal conductivity increases with an increase of the transversal size of the channel. Also, it reaches bulk values for some characteristic size of channel that depends strongly on density. Good agreement of the computed thermal conductivities of liquid argon over a wide density range with the experimental data allowed the value of the characteristic size of channel as a function of density to be estimated. This value depends on density and varies from 5 nm to 11 nm.
Covariant affine integral quantization(s)
Authors: Gazeau Jean Pierre , Murenzi Romain
Published: May 2016

Covariant affine integral quantization of the half-plane is studied and applied to the motion of a particle on the half-line. We examine the consequences of different quantizer operators built from weight functions on the half-plane. To illustrate the procedure, we examine two particular choices of the weight function, yielding thermal density operators and affine inversion, respectively. The former gives rise to a temperature-dependent probability distribution on the half-plane whereas the latter yields the usual canonical quantization and a quasi-probability distribution (affine Wigner function) which is real, marginal in both momentum p and position q.
Pinning down high-performance Cu-chalcogenides as thin-film solar cell absorbers: A successive screening approach
Authors: Zhang Yubo , Wang Youwei , Zhang Jiawei , Xi Lili , Zhang Peihong , Zhang Wenqing
Published: May 2016

Photovoltaic performances of Cu-chalcogenides solar cells are strongly correlated with the absorber fundamental properties such as optimal bandgap, desired band alignment with window material, and high photon absorption ability. According to these criteria, we carry out a successive screening for 90 Cu-chalcogenides using efficient theoretical approaches. Besides the well-recognized CuInSe2 and Cu2ZnSnSe4 materials, several novel candidates are identified to have optimal bandgaps of around 1.0–1.5 eV, spike-like band alignments with CdS window layer, sharp photon absorption edges, and high absorption coefficients. These new systems have great potential to be superior absorbers for photovolatic applications if their carrrier transport and defect properties are properly optimized.
Electron holes in inhomogeneous magnetic field: Electron heating and electron hole evolution
Authors: Vasko I. Y. , Agapitov O. V. , Mozer F. S. , Artemyev A. V. , Drake J. F.
Published: May 2016

Electron holes are electrostatic non-linear structures widely observed in the space plasma. In the present paper, we analyze the process of energy exchange between electrons trapped within electron hole, untrapped electrons, and an electron hole propagating in a weakly inhomogeneous magnetic field. We show that as the electron hole propagates into the region with stronger magnetic field, trapped electrons are heated due to the conservation of the first adiabatic invariant. At the same time, the electron hole amplitude may increase or decrease in dependence on properties of distribution functions of trapped and untrapped resonant electrons. The energy gain of trapped electrons is due to the energy losses of untrapped electrons and/or decrease of the electron hole energy. We stress that taking into account the energy exchange with untrapped electrons increases the lifetime of electron holes in inhomogeneous magnetic field. We illustrate the suggested mechanism for small-amplitude Schamel's [Phys. Scr. T2, 228–237 (1982)] electron holes and show that during propagation along a positive magnetic field gradient their amplitude should grow. Neglect of the energy exchange with untrapped electrons would result in the electron hole dissipation with only modest heating factor of trapped electrons. The suggested mechanism may contribute to generation of suprathermal electron fluxes in the space plasma.