bluuebunny/crossref_metadata_2025 huggingface dataset:
Comparative Governance
Authors: Peters B. Guy , Pierre Jon
Published: September 2016

Decision-making is at the heart of governing and governance, and is a more challenging task compared to just a few decades ago as a result of increasing social complexity and globalization. In this book, B. Guy Peters and Jon Pierre propose a new framework for the comparative analysis of governance, arguing that government remains a central actor in governance. By articulating the functionalist dimension of governance they show how goal setting, resource mobilization, decision-making, implementation and feedback can be performed by a combination of different types of actors. Even so, effective governance requires a leading role for government. The framework is also applied to a taxonomy of governance arrangements and national styles of governing. Comparative Governance advances our knowledge about governance failure and how forms of governance may change. It also significantly strengthens the theory of governance, showing how governance can be studied conceptually as well as empirically.
Theory of Social Choice on Networks
Authors: Stirling Wynn C.
Published: September 2016

Classical social choice theory relies heavily on the assumption that all individuals have fixed preference orderings. This highly original book presents a new theory of social preferences that explicitly accounts for important social phenomena such as coordination, compromise, negotiation and altruism. Drawing on cybernetics and network theory, it extends classical social choice theory by constructing a framework that allows for dynamic preferences that are modulated by the situation-dependent social influence that they exert on each other. In this way the book shows how members of a social network may modulate their preferences to account for social context. This important expansion of social choice theory will be of interest to readers in a wide variety of disciplines, including economists and political scientists concerned with choice theory as well as computer scientists and engineers working on network theory.
LIQUID PRESERVATION OF CUCURBIT SEEDS AT AMBIENT TEMPERATURE
Authors: PANDEY DAYA K.
Published: September 2016

Low-cost methods for enhancement of seed longevity may facilitate biodiversity conservation especially in resource constrained situations. Longevity of 13 cucurbitaceous seed lots belonging to 12 species with mean moisture contents 9.3±0.7% was studied in hermetic storage (HS) and in a liquid consisting of 20% (w/w) CaCl2 in glycerol, following seed to preservative ratio of 1:1 (v/v), at ambient temperature for 24 years. The liquid preservative (LP) was not absorbed by the seeds over the storage period and was harmless to them, drying seeds to about 5% of moisture and maintaining them at this state throughout the storage period. The seeds lost viability in HS in 3.8±0.4 years, while in LP viability was lost in 14–16 years in eight species and the seeds were still viable in five species after 24 years. LP-preserved seeds and also fresh seeds of three species were planted under field conditions. The results validated the use of LP in seed storage for 24 years. The liquid preservation extended longevity of the cucurbit seeds at ambient temperature by drying them and probably maintaining them in oxygen-free environment.
Familien mit psychisch kranken Eltern
Authors: Locher Seraina , Hefti Stephanie , Di Gallo Alain , Roth Binia , Schmid Marc
Published: September 2016

Zusammenfassung. Hintergrund: Eine psychische Erkrankung eines Elternteils sowie eine niedrige Paarzufriedenheit der Eltern sind psychosoziale Risikofaktoren für eine gesunde kindliche Entwicklung. Diese psychosozialen Risikofaktoren treten in Familien häufig gleichzeitig auf und akkumulieren sich. Fragestellung: In einer Stichprobe mit einem psychisch kranken Elternteil (N = 63) und in einer nicht-klinischen Vergleichsstichprobe (N = 342) wurden die Zusammenhänge zwischen der Paarzufriedenheit und der psychischen Belastung der Eltern und den Verhaltens- und Bindungsauffälligkeiten des Kindes untersucht. Methode: Die Paarzufriedenheit (Quality of Marriage Index QMI) und die psychische Belastung der Eltern (Brief Symptom Inventory BSI) wurden im Selbsturteil erhoben. Die Verhaltens- und Bindungsauffälligkeiten des Kindes (Child Behavior Checklist CBCL/4 – 18, Relationship Problems Questionnaire RPQ) wurden durch einen Elternteil beurteilt. Ergebnisse: Psychisch kranke Eltern wiesen eine deutlich niedrigere Paarzufriedenheit auf als Eltern aus der nicht-klinischen Vergleichsstichprobe. Die Paarzufriedenheit der Eltern hing in beiden Stichproben signifikant mit den Verhaltensauffälligkeiten des Kindes zusammen. Dieser Zusammenhang verschwand, wenn die elterliche psychische Belastung als Kontrollvariable berücksichtigt wurde. Zwischen der Paarzufriedenheit der Eltern und den Bindungsauffälligkeiten des Kindes bestand in beiden Stichproben kein Zusammenhang. Die Paarzufriedenheit der Eltern wirkte nicht als Mediator zwischen der psychischen Belastung der Eltern und den Verhaltens- und Bindungsauffälligkeiten des Kindes. Schlussfolgerung: In der Behandlung psychisch kranker Eltern sollten gezielte familienzentrierte Interventionen frühzeitig berücksichtigt werden.
Subterranean Caverns Hold Clues to Past Droughts
Authors: Wendel JoAnna
Published: September 2016

Cave formations offer highly resolved paleoclimate data that scientists plan to use to reconstruct California's ancient patterns of drought.
Impact of loss of BH3-only proteins on the development and treatment of MLL-fusion gene-driven AML in mice
Authors: Bilardi Rebecca A , Anstee Natasha S , Glaser Stefan P , Robati Mikara , Vandenberg Cassandra J , Cory Suzanne
Published: September 2016

Inhibition of the apoptosis pathway controlled by opposing members of the Bcl-2 protein family plays a central role in cancer development and resistance to therapy. To investigate how pro-apoptotic Bcl-2 homology domain 3 (BH3)-only proteins impact on acute myeloid leukemia (AML), we generated mixed lineage leukemia (MLL)-AF9 and MLL-ENL AMLs from BH3-only gene knockout mice. Disease development was not accelerated by loss of Bim, Puma, Noxa, Bmf, or combinations thereof; hence these BH3-only proteins are apparently ineffectual as tumor suppressors in this model. We tested the sensitivity of MLL-AF9 AMLs of each genotype in vitro to standard chemotherapeutic drugs and to the proteasome inhibitor bortezomib, with or without the BH3 mimetic ABT-737. Loss of Puma and/or Noxa increased resistance to cytarabine, daunorubicin and etoposide, while loss of Bim protected against cytarabine and loss of Bmf had no impact. ABT-737 increased sensitivity to the genotoxic drugs but was not dependent on any BH3-only protein tested. The AML lines were very sensitive to bortezomib and loss of Noxa conveyed significant resistance. In vivo, several MLL-AF9 AMLs responded well to daunorubicin and this response was highly dependent on Puma and Noxa but not Bim. Combination therapy with ABT-737 provided little added benefit at the daunorubicin dose trialed. Bortezomib also extended survival of AML-bearing mice, albeit less than daunorubicin. In summary, our genetic studies reveal the importance of Puma and Noxa for the action of genotoxics currently used to treat MLL-driven AML and suggest that, while addition of ABT-737-like BH3 mimetics might enhance their efficacy, new Noxa-like BH3 mimetics targeting Mcl-1 might have greater potential.
Overexpression of JARID1B promotes differentiation via SHIP1/AKT signaling in human hypopharyngeal squamous cell carcinoma
Authors: Zhang Jisheng , An Xiaofei , Han Yafei , Ma Rui , Yang Kun , Zhang Lu , Chi Jingwei , Li Wei , Llobet-Navas David , Xu Yan , Jiang Yan
Published: September 2016

Histone H3 (H3K4) demethylase JARID1B is aberrantly upregulated in many types of tumor and has been proposed to function as oncogene. Here we show that JARID1B is elevated in moderate and high-differentiated human hypopharyngeal squamous cell carcinoma (HPSCC) compared with low-differentiated HPSCC. Overexpression of JARID1B in FaDu cells increased epithelial differentiation marker K10 expression and inhibited cell proliferation. JARID1B and K10 mRNA expression is high correlated in HPSCC patients. Mechanistically, we found JARID1B directly bound to PI3K/AKT signaling inhibitor SHIP1 gene promoter and decreased SHIP1 gene expression. Activation of downstream AKT resulted in increased β-catenin signaling, by which promoted target genes Fra-1 and Jun, together with other AP-1 transcription factors, leading to K10 expression. Forced expression of SHIP1 rescued JARID1B-induced phenotypes on FaDu cell differentiation and proliferation. Taken together, our findings provide first evidence that elevated expression of JARID1B has a critical role in promoting HPSCC differentiation and inhibiting proliferation, suggesting JARID1B may function as a tumor suppressor in squamous cell cancers and implying a novel important therapeutic strategy of HPSCC.
Automated assembly of oligosaccharides containing multiple cis-glycosidic linkages
Authors: Hahm Heung Sik , Hurevich Mattan , Seeberger Peter H
Published: September 2016

Automated glycan assembly (AGA) has advanced from a concept to a commercial technology that rapidly provides access to diverse oligosaccharide chains as long as 30-mers. To date, AGA was mainly employed to incorporate trans-glycosidic linkages, where C2 participating protecting groups ensure stereoselective couplings. Stereocontrol during the installation of cis-glycosidic linkages cannot rely on C2-participation and anomeric mixtures are typically formed. Here, we demonstrate that oligosaccharides containing multiple cis-glycosidic linkages can be prepared efficiently by AGA using monosaccharide building blocks equipped with remote participating protecting groups. The concept is illustrated by the automated syntheses of biologically relevant oligosaccharides bearing various cis-galactosidic and cis-glucosidic linkages. This work provides further proof that AGA facilitates the synthesis of complex oligosaccharides with multiple cis-linkages and other biologically important oligosaccharides.
Identification of KasA as the cellular target of an anti-tubercular scaffold
Authors: Abrahams Katherine A. , Chung Chun-wa , Ghidelli-Disse Sonja , Rullas Joaquín , Rebollo-López María José , Gurcha Sudagar S. , Cox Jonathan A. G. , Mendoza Alfonso , Jiménez-Navarro Elena , Martínez-Martínez María Santos , Neu Margarete , Shillings Anthony , Homes Paul , Argyrou Argyrides , Casanueva Ruth , Loman Nicholas J. , Moynihan Patrick J. , Lelièvre Joël , Selenski Carolyn , Axtman Matthew , Kremer Laurent , Bantscheff Marcus , Angulo-Barturen Iñigo , Izquierdo Mónica Cacho , Cammack Nicholas C. , Drewes Gerard , Ballell Lluis , Barros David , Besra Gurdyal S. , Bates Robert H.
Published: September 2016

Phenotypic screens for bactericidal compounds are starting to yield promising hits against tuberculosis. In this regard, whole-genome sequencing of spontaneous resistant mutants generated against an indazole sulfonamide (GSK3011724A) identifies several specific single-nucleotide polymorphisms in the essential Mycobacterium tuberculosis β-ketoacyl synthase (kas) A gene. Here, this genomic-based target assignment is confirmed by biochemical assays, chemical proteomics and structural resolution of a KasA-GSK3011724A complex by X-ray crystallography. Finally, M. tuberculosis GSK3011724A-resistant mutants increase the in vitro minimum inhibitory concentration and the in vivo 99% effective dose in mice, establishing in vitro and in vivo target engagement. Surprisingly, the lack of target engagement of the related β-ketoacyl synthases (FabH and KasB) suggests a different mode of inhibition when compared with other Kas inhibitors of fatty acid biosynthesis in bacteria. These results clearly identify KasA as the biological target of GSK3011724A and validate this enzyme for further drug discovery efforts against tuberculosis.
A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine–phenylalanine motif
Authors: Charalambidis Georgios , Georgilis Evangelos , Panda Manas K. , Anson Christopher E. , Powell Annie K. , Doyle Stephen , Moss David , Jochum Tobias , Horton Peter N. , Coles Simon J. , Linares Mathieu , Beljonne David , Naubron Jean-Valère , Conradt Jonas , Kalt Heinz , Mitraki Anna , Coutsolelos Athanassios G. , Balaban Teodor Silviu
Published: September 2016

Artificial light-harvesting systems have until now not been able to self-assemble into structures with a large photon capture cross-section that upon a stimulus reversibly can switch into an inactive state. Here we describe a simple and robust FLFL-dipeptide construct to which a meso-tetraphenylporphyrin has been appended and which self-assembles to fibrils, platelets or nanospheres depending on the solvent composition. The fibrils, functioning as quenched antennas, give intense excitonic couplets in the electronic circular dichroism spectra which are mirror imaged if the unnatural FDFD-analogue is used. By slightly increasing the solvent polarity, these light-harvesting fibres disassemble to spherical structures with silent electronic circular dichroism spectra but which fluoresce. Upon further dilution with the nonpolar solvent, the intense Cotton effects are recovered, thus proving a reversible switching. A single crystal X-ray structure shows a head-to-head arrangement of porphyrins that explains both their excitonic coupling and quenched fluorescence.
Discontinuation of anti-VEGF cancer therapy promotes metastasis through a liver revascularization mechanism
Authors: Yang Yunlong , Zhang Yin , Iwamoto Hideki , Hosaka Kayoko , Seki Takahiro , Andersson Patrik , Lim Sharon , Fischer Carina , Nakamura Masaki , Abe Mitsuhiko , Cao Renhai , Skov Peter Vilhelm , Chen Fang , Chen Xiaoyun , Lu Yongtian , Nie Guohui , Cao Yihai
Published: September 2016

The impact of discontinuation of anti-VEGF cancer therapy in promoting cancer metastasis is unknown. Here we show discontinuation of anti-VEGF treatment creates a time-window of profound structural changes of liver sinusoidal vasculatures, exhibiting hyper-permeability and enlarged open-pore sizes of the fenestrated endothelium and loss of VE-cadherin. The drug cessation caused highly leaky hepatic vasculatures permit tumour cell intravasation and extravasation. Discontinuation of an anti-VEGF antibody-based drug and sunitinib markedly promotes liver metastasis. Mechanistically, host hepatocyte, but not tumour cell-derived vascular endothelial growth factor (VEGF), is responsible for cancer metastasis. Deletion of hepatocyte VEGF markedly ablates the ‘off-drug’-induced metastasis. These findings provide mechanistic insights on anti-VEGF cessation-induced metastasis and raise a new challenge for uninterrupted and sustained antiangiogenic therapy for treatment of human cancers.
Structural basis underlying viral hijacking of a histone chaperone complex
Authors: Huang Hongda , Deng Zhong , Vladimirova Olga , Wiedmer Andreas , Lu Fang , Lieberman Paul M. , Patel Dinshaw J.
Published: September 2016

The histone H3.3 chaperone DAXX is implicated in formation of heterochromatin and transcription silencing, especially for newly infecting DNA virus genomes entering the nucleus. Epstein-Barr virus (EBV) can efficiently establish stable latent infection as a chromatinized episome in the nucleus of infected cells. The EBV tegument BNRF1 is a DAXX-interacting protein required for the establishment of selective viral gene expression during latency. Here we report the structure of BNRF1 DAXX-interaction domain (DID) in complex with DAXX histone-binding domain (HBD) and histones H3.3-H4. BNRF1 DID contacts DAXX HBD and histones through non-conserved loops. The BNRF1-DAXX interface is responsible for BNRF1 localization to PML-nuclear bodies typically associated with host-antiviral resistance and transcriptional repression. Paradoxically, the interface is also required for selective transcription activation of viral latent cycle genes required for driving B-cell proliferation. These findings reveal molecular details of virus reprogramming of an antiviral histone chaperone to promote viral latency and cellular immortalization.
Peripheral serotonin-mediated system suppresses bone development and regeneration via serotonin 6 G-protein-coupled receptor
Authors: Yun Hyung-Mun , Park Kyung-Ran , Hong Jin Tae , Kim Eun-Cheol
Published: September 2016

Serotonin is important in brain functions and involved in neurological diseases. It is also drawn considerable attention in bone disease since it mainly produced by the gut. Serotonin 6 G-protein-coupled receptor (5-HT6R) is clinical targets for the treatment of neurological diseases. However, 5-HT6R as a therapeutic target in bone has not been reported. Herein, we found that 5-HT6R showed higher expression in bone, and its expression was increased during bone remodeling and osteoblast differentiation. The activation of 5-HT6R by ST1936 caused the inhibition of ALP activity and mineralization in primary osteoblast cultures, which was antagonized by SB258585, an antagonist and by the knockdown of 5-HT6R. Further investigation indicated that 5-HT6R inhibited osteoblast differentiation via Jab1 in BMP2 signaling but not PKA and ERK1/2. In vivo studies showed that the activation of 5-HT6R inhibited bone regeneration in the calvarial defect mice and also delayed bone development in newborn mice; this response was antagonized by SB258585. Therefore, our findings indicate a key role of 5-HT6R in bone formation through serotonin originating in the peripheral system, and suggest that it is a novel therapeutic target for drug development in the bone repair and bone diseases.
Tomographic brain imaging with nucleolar detail and automatic cell counting
Authors: Hieber Simone E. , Bikis Christos , Khimchenko Anna , Schweighauser Gabriel , Hench Jürgen , Chicherova Natalia , Schulz Georg , Müller Bert
Published: September 2016

Brain tissue evaluation is essential for gaining in-depth insight into its diseases and disorders. Imaging the human brain in three dimensions has always been a challenge on the cell level. In vivo methods lack spatial resolution, and optical microscopy has a limited penetration depth. Herein, we show that hard X-ray phase tomography can visualise a volume of up to 43 mm3 of human post mortem or biopsy brain samples, by demonstrating the method on the cerebellum. We automatically identified 5,000 Purkinje cells with an error of less than 5% at their layer and determined the local surface density to 165 cells per mm2 on average. Moreover, we highlight that three-dimensional data allows for the segmentation of sub-cellular structures, including dendritic tree and Purkinje cell nucleoli, without dedicated staining. The method suggests that automatic cell feature quantification of human tissues is feasible in phase tomograms obtained with isotropic resolution in a label-free manner.
Pesticide exposure and risk of Alzheimer’s disease: a systematic review and meta-analysis
Authors: Yan Dandan , Zhang Yunjian , Liu Liegang , Yan Hong
Published: September 2016

Evidence suggests that lifelong cumulative exposure to pesticides may generate lasting toxic effects on the central nervous system and contribute to the development of Alzheimer’s disease (AD). A number of reports indicate a potential association between long-term/low-dose pesticide exposure and AD, but the results are inconsistent. Therefore, we conducted a meta-analysis to clarify this association. Relevant studies were identified according to inclusion criteria. Summary odds ratios (ORs) were calculated using fixed-effects models. A total of seven studies were included in our meta-analysis. A positive association was observed between pesticide exposure and AD (OR = 1.34; 95% confidence interval [CI] = 1.08, 1.67; n = 7). The summary ORs with 95% CIs from the crude and adjusted effect size studies were 1.14 (95% CI = 0.94, 1.38; n = 7) and 1.37 (95% CI = 1.09, 1.71; n = 5), respectively. The sensitivity analyses of the present meta-analysis did not substantially modify the association between pesticide exposure and AD. Subgroup analyses revealed that high-quality studies tended to show significant relationships. The present meta-analysis suggested a positive association between pesticide exposure and AD, confirming the hypothesis that pesticide exposure is a risk factor for AD. Further high-quality cohort and case-control studies are required to validate a causal relationship.
Different coding strategies for the perception of stable and changeable facial attributes
Authors: Taubert Jessica , Alais David , Burr David
Published: September 2016

Perceptual systems face competing requirements: improving signal-to-noise ratios of noisy images, by integration; and maximising sensitivity to change, by differentiation. Both processes occur in human vision, under different circumstances: they have been termedpriming,orserial dependencies,leading to positive sequential effects; andadaptationorhabituation, which leads to negative sequential effects. We reasoned that for stable attributes, such as the identity and gender of faces, the system should integrate: while for changeable attributes like facial expression, it should also engage contrast mechanisms to maximise sensitivity to change. Subjects viewed a sequence of images varying simultaneously in gender and expression and scored each as male or female,andhappy or sad. We found strong and consistent positive serial dependencies for gender and negative dependency for expression, showing that both processes can operate at the same time, on the same stimuli, depending on the attribute being judged. The results point to highly sophisticated mechanisms for optimizing use of past information, either by integration or differentiation, depending on the permanence of that attribute.
Population and life-stage specific sensitivities to temperature and salinity stress in barnacles
Authors: Nasrolahi Ali , Havenhand Jonathan , Wrange Anna-Lisa , Pansch Christian
Published: September 2016

Temperature and salinity shape the distribution and genetic structure of marine communities. Future warming and freshening will exert an additional stress to coastal marine systems. The extent to which organisms respond to these shifts will, however, be mediated by the tolerances of all life-stages and populations of species and their potential to adapt. We investigated nauplius and cypris larvae of the barnacle Balanus (Amphibalanus) improvisus from the Swedish west coast with respect to temperature (12, 20, and 28 °C) and salinity (5, 15, and 30) tolerances. Warming accelerated larval development and increased overall survival and subsequent settlement success. Nauplii developed and metamorphosed best at intermediate salinity. This was also observed in cypris larvae when the preceding nauplii stages had been reared at a salinity of 30. Direct comparisons of the present findings with those on a population from the more brackish Baltic Sea demonstrate contrasting patterns. We conclude that i) B. improvisus larvae within the Baltic region will be favoured by near-future seawater warming and freshening, that ii) salinity tolerances of larvae from the two different populations reflect salinities in their native habitats, but are nonetheless suboptimal and that iii) this species is generally highly plastic with regard to salinity.
Structural and electronic transformation pathways in morphotropic BiFeO3
Authors: Sharma P. , Heo Y. , Jang B.-K. , Liu Y. Y. , Li J. Y. , Yang C.-H. , Seidel J.
Published: September 2016

Phase boundaries in multiferroics, in which (anti-)ferromagnetic, ferroelectric and ferroelastic order parameters coexist, enable manipulation of magnetism and electronic properties by external electric fields through switching of the polarization in the material. It has been shown that the strain-driven morphotropic phase boundaries in a single-phase multiferroic such as BiFeO3 (BFO) can exhibit distinct electronic conductivity. However, the control of ferroelectric and phase switching and its correlation with phase boundary conductivity in this material has been a significant challenge. Supported by a thermodynamic approach, here we report a concept to precisely control different switching pathways and the associated control of electronic conductivity in mixed phase BFO. This work demonstrates a critical step to control and use non-volatile strain-conductivity coupling at the nanoscale. Beyond this observation, it provides a framework for exploring a route to control multiple order parameters coupled to ferroelastic and ferroelectric order in multiferroic materials.
High saturation magnetization of γ-Fe2O3 nano-particles by a facile one-step synthesis approach
Authors: Cao Derang , Li Hao , Pan Lining , Li Jianan , Wang Xicheng , Jing Panpan , Cheng Xiaohong , Wang Wenjie , Wang Jianbo , Liu Qingfang
Published: September 2016

We have demonstrated the synthesis of γ-Fe2O3 nano-particles through a facile and novel calcination process in the air. There is no pH regulation, gas atmosphere, additive, centrifugation or other complicated procedures during the preparing process. A detailed formation process of the nano-particles is proposed and DMF as a polar solvent may slower the reaction process of calcination. The structures, morphologies and magnetic properties of γ-Fe2O3 nano-particles were investigated systematically and the pure γ-Fe2O3 nano-particles obtained at 200 °C display uniform morphology good magnetic property. The saturation magnetization of obtained pure γ-Fe2O3 is about 74 emu/g, which is comparable with bulk material (76 emu/g) and larger than other results. In addition, the photocatalytic activity for degradation of methylene blue is also studied, which shows proper photocatalytic activity.
The BR domain of PsrP interacts with extracellular DNA to promote bacterial aggregation; structural insights into pneumococcal biofilm formation
Authors: Schulte Tim , Mikaelsson Cecilia , Beaussart Audrey , Kikhney Alexey , Deshmukh Maya , Wolniak Sebastian , Pathak Anuj , Ebel Christine , Löfling Jonas , Fogolari Federico , Henriques-Normark Birgitta , Dufrêne Yves F. , Svergun Dmitri , Nygren Per-Åke , Achour Adnane
Published: September 2016

The major human pathogen Streptococcus pneumoniae is a leading cause of disease and death worldwide. Pneumococcal biofilm formation within the nasopharynx leads to long-term colonization and persistence within the host. We have previously demonstrated that the capsular surface-associated pneumococcal serine rich repeat protein (PsrP), key factor for biofilm formation, binds to keratin-10 (KRT10) through its microbial surface component recognizing adhesive matrix molecule (MSCRAMM)-related globular binding region domain (BR187–385). Here, we show that BR187–385 also binds to DNA, as demonstrated by electrophoretic mobility shift assays and size exclusion chromatography. Further, heterologous expression of BR187–378 or the longer BR120–378 construct on the surface of a Gram-positive model host bacterium resulted in the formation of cellular aggregates that was significantly enhanced in the presence of DNA. Crystal structure analyses revealed the formation of BR187–385 homo-dimers via an intermolecular β-sheet, resulting in a positively charged concave surface, shaped to accommodate the acidic helical DNA structure. Furthermore, small angle X-ray scattering and circular dichroism studies indicate that the aggregate-enhancing N-terminal region of BR120–166 adopts an extended, non-globular structure. Altogether, our results suggest that PsrP adheres to extracellular DNA in the biofilm matrix and thus promotes pneumococcal biofilm formation.
Synthesis of jet fuel range branched cycloalkanes with mesityl oxide and 2-methylfuran from lignocellulose
Authors: Li Shanshan , Li Ning , Wang Wentao , Li Lin , Wang Aiqin , Wang Xiaodong , Zhang Tao
Published: September 2016

Jet fuel range branched cycloalkanes with high density (0.82 g mL−1) and low freezing point (217–219 K) was first prepared by the solvent-free intramolecular aldol condensation of the trione from the hydrolysis of the alkylation product of mesityl oxide and 2-methylfuran (or the one-pot reaction of mesityl oxide, 2-methylfuran and water), followed by hydrodeoxygenation (HDO).
Pore structure modified diatomite-supported PEG composites for thermal energy storage
Authors: Qian Tingting , Li Jinhong , Deng Yong
Published: September 2016

A series of novel composite phase change materials (PCMs) were tailored by blending PEG and five kinds of diatomite via a vacuum impregnation method. To enlarge its pore size and specific surface area, different modification approaches including calcination, acid treatment, alkali leaching and nano-silica decoration on the microstructure of diatomite were outlined. Among them, 8 min of 5 wt% NaOH dissolution at 70 °C has been proven to be the most effective and facile. While PEG melted during phase transformation, the maximum load of PEG could reach 70 wt.%, which was 46% higher than that of the raw diatomite. The apparent activation energy of PEG in the composite was 1031.85 kJ·mol−1, which was twice higher than that of the pristine PEG. Moreover, using the nano-silica decorated diatomite as carrier, the maximum PEG load was 66 wt%. The composite PCM was stable in terms of thermal and chemical manners even after 200 cycles of melting and freezing. All results indicated that the obtained composite PCMs were promising candidate materials for building applications due to its large latent heat, suitable phase change temperature, excellent chemical compatibility, improved supercooling extent, high thermal stability and long-term reliability.
Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations
Authors: Wang Yi X. , Wu Q. , Chen Xiang R. , Geng Hua Y.
Published: September 2016

The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite temperatures, a novel transition of rhombohedral phases back to BCC phase induced by thermal electrons is discovered. This reentrant transition is found not driven by phonons, instead it is the electronic entropy that stabilizes the latter phase, which is totally out of expectation. Parallel to this transition, we find a peculiar and strong increase of the shear modulus C44 with increasing temperature. It is counter-intuitive in the sense that it suggests an unusual harding mechanism of vanadium by temperature. With these stability analyses, the high-pressure and finite-temperature phase diagram of vanadium is proposed. Furthermore, the dependence of the stability of RH phases on the Fermi energy and chemical environment is investigated. The results demonstrate that the position of the Fermi level has a significant impact on the phase stability and follows the band-filling argument. Besides the Fermi surface nesting, we find that the localization/delocalization of the d orbitals also contributes to the instability of rhombohedral distortions in vanadium.
Inhibition of caspase-9 aggravates acute liver injury through suppression of cytoprotective autophagy
Authors: Guo Rui , Lin Bin , Pan Jing Fei , Liong Emily C. , Xu Ai Min , Youdim Moussa , Fung Man Lung , So Kwok Fai , Tipoe George L.
Published: September 2016

Acute liver disease is characterized by inflammation, oxidative stress and necrosis, which can greatly influence the long term clinical outcome and lead to liver failure or cancer. Here, we initially demonstrated the beneficial role of caspase-9-dependent autophagy in acute liver injury. Treatment with caspase-9 inhibitor z-LEHD-FMK in HepG2 cells, AML12 cells and C57BL/b6N mice exacerbated CCl4-induced acute hepatocellular damage and also down-regulated autophagy markers expression levels, indicating that caspase-9 inhibition may aggravate acute liver damage by suppressing cytoprotective autophagy. CCl4 was used as an acute liver injury inducer which caused oxidative stress and apoptosis through up-regulation of HIF-1α, as well as triggered hepatic inflammation and necroptosis via TLR4/NF-κB pathway. Caspase-9 Thr125 site was firstly phosphorylated by ERK1/2 which subsequently activated the cytoprotective autophagy process to attenuate acute CCl4 injury. Caspase-9 inhibition further aggravated hepatic necroptosis through NF-κB expression, leading to increased pro-inflammatory mediators levels, suggesting a protective role of caspase-9-dependent autophagy in the inflammatory process as well as its possibility being a new therapeutic target for the treatment of acute liver injury.
Synthesis of Mg-Fe-Cl hydrotalcite-like nanoplatelets as an oral phosphate binder: evaluations of phosphorus intercalation activity and cellular cytotoxicity
Authors: Lung Yung-Feng , Sun Ying-Sui , Lin Chun-Kai , Uan Jun-Yen , Huang Her-Hsiung
Published: September 2016

The patients with end-stage of renal disease (ESRD) need to take oral phosphate binder. Traditional phosphate binders may leave the disadvantage of aluminum intoxication or cardiac calcification. Herein, Mg-Fe-Clhydrotalcite-like nanoplatelet (HTln) is for the first time characterized as potential oral phosphate binder, with respect to its phosphorus uptake capacity in cow milk and cellular cytotoxicity. A novel method was developed for synthesizing the Mg-Fe-ClHTln powder in different Mg2+: Fe3+ratios where the optimization was 2.8:1. Addition of 0.5 g Mg-Fe-ClHTln in cow milk could reduce its phosphorus content by 40% in 30 min and by 65% in 90 min. In low pH environment, the Mg-Fe-ClHTln could exhibit relatively high performance for uptaking phosphorus. During a 90 min reaction of the HTln in milk, no phosphorus restoration occurred.In-vitrocytotoxicity assay of Mg-Fe-ClHTln revealed no potential cellular cytotoxicity. The cells that were cultured in the HTln extract-containing media were even more viable than cells that were cultured in extract-free media (blank control). The Mg-Fe-ClHTln extract led to hundred ppm of Mg ion and some ppm of Fe ion in the media, should be a positive effect on the good cell viability.
In silico identification of enhancers on the basis of a combination of transcription factor binding motif occurrences
Authors: Fang Yaping , Wang Yunlong , Zhu Qin , Wang Jia , Li Guoliang
Published: September 2016

Enhancers interact with gene promoters and form chromatin looping structures that serve important functions in various biological processes, such as the regulation of gene transcription and cell differentiation. However, enhancers are difficult to identify because they generally do not have fixed positions or consensus sequence features, and biological experiments for enhancer identification are costly in terms of labor and expense. In this work, several models were built by using various sequence-based feature sets and their combinations for enhancer prediction. The selected features derived from a recursive feature elimination method showed that the model using a combination of 141 transcription factor binding motif occurrences from 1,422 transcription factor position weight matrices achieved a favorably high prediction accuracy superior to that of other reported methods. The models demonstrated good prediction accuracy for different enhancer datasets obtained from different cell lines/tissues. In addition, prediction accuracy was further improved by integration of chromatin state features. Our method is complementary to wet-lab experimental methods and provides an additional method to identify enhancers.
Novel Stable Compounds in the C-H-O Ternary System at High Pressure
Authors: Saleh Gabriele , Oganov Artem R.
Published: September 2016

The chemistry of the elements is heavily altered by high pressure, with stabilization of many new and often unexpected compounds, the emergence of which can profoundly change models of planetary interiors, where high pressure reigns. The C-H-O system is one of the most important planet-forming systems, but its high-pressure chemistry is not well known. Here, using state-of-the-art variable-composition evolutionary searches combined with quantum-mechanical calculations, we explore the C-H-O system at pressures up to 400 GPa. Besides uncovering new stable polymorphs of high-pressure elements and known molecules, we predicted the formation of new compounds. A 2CH4:3H2inclusion compound forms at low pressure and remains stable up to 215 GPa. Carbonic acid (H2CO3), highly unstable at ambient conditions, was predicted to form exothermically at mild pressure (about 1 GPa). As pressure rises, it polymerizes and, above 314 GPa, reacts with water to form orthocarbonic acid (H4CO4). This unexpected high-pressure chemistry is rationalized by analyzing charge density and electron localization function distributions and implications for general chemistry and planetary science are also discussed.
Use of the sun as a heading indicator when caching and recovering in a wild rodent
Authors: Samson Jamie , Manser Marta B.
Published: September 2016

A number of diurnal species have been shown to use directional information from the sun to orientate. The use of the sun in this way has been suggested to occur in either a time-dependent (relying on specific positional information) or a time-compensated manner (a compass that adjusts itself over time with the shifts in the sun’s position). However, some interplay may occur between the two where a species could also use the sun in a time-limited way, whereby animals acquire certain information about the change of position, but do not show full compensational abilities. We tested whether Cape ground squirrels (Xerus inauris) use the sun as an orientation marker to provide information for caching and recovery. This species is a social sciurid that inhabits arid, sparsely vegetated habitats in Southern Africa, where the sun is nearly always visible during the diurnal period. Due to the lack of obvious landmarks, we predicted that they might use positional cues from the sun in the sky as a reference point when caching and recovering food items. We provide evidence that Cape ground squirrels use information from the sun’s position while caching and reuse this information in a time-limited way when recovering these caches.
A camelid VHH-based fluorescence polarization immunoassay for the detection of tetrabromobisphenol A in water
Authors: Wang Kai , Liu Zhiping , Ji Pei , Liu Jianfeng , Eremin Sergei A. , Li Qing X. , Li Ji , Xu Ting
Published: September 2016

Tetrabromobisphenol A (TBBPA) is a widely used flame retardant and is classified as an endocrine disruptor.
Efficient nickel-catalyzed phosphinylation of C–S bonds forming C–P bonds
Authors: Yang Jia , Xiao Jing , Chen Tieqiao , Yin Shuang-Feng , Han Li-Biao
Published: September 2016

The first nickel-catalyzed phosphinylation of C–S bonds forming C–P bonds is developed. The reaction can proceed readily with the simple Ni(cod)2 at a loading down to 0.1 mol% at the 10 mmol scale. Various aryl sulfur compounds, i.e. sulfides, sulfoxides and sulfones all couple with P(O)–H compounds to produce the corresponding organophosphorus compounds, which provides an efficient new method for the construction of C–P bonds.
Vapour-induced solid-state C–H bond activation for the clean synthesis of an organopalladium biothiol sensor
Authors: Monas Andrea , Užarević Krunoslav , Halasz Ivan , Kulcsár Marina Juribašić , Ćurić Manda
Published: September 2016

Room-temperature accelerated aging in the solid state has been applied for quantitative azobenzene C–H bond activation by Pd(OAc)2. Water-soluble dicyclopalladated methyl orange is a selective chromogenic biothiol sensor at physiologically-relevant micromolar concentrations in aqueous media.
Inhibition of TLR1/2 dimerization by enantiomers of metal complexes
Authors: Liu Li-Juan , Wang Wanhe , Zhong Zhangfeng , Lin Sheng , Lu Lihua , Wang Yi-Tao , Ma Dik-Lung , Leung Chung-Hang
Published: September 2016

Complex 1 and its enantiomer Λ-1 are reported for the first time to inhibit NF-κB transduction via the modulation of Pam3CSK4-induced TLR1/2 heterodimerization.
Multiphase separation of copper nanowires
Authors: Qian Fang , Lan Pui Ching , Olson Tammy , Zhu Cheng , Duoss Eric B. , Spadaccini Christopher M. , Han T. Yong-Jin
Published: September 2016

A new method to purify copper nanowires with nearly 100% yield from copper nanoparticle side-products formed during a batch copper nanowire synthesis is reported.
A binary catalyst system of a cationic Ru–CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide
Authors: Ng Chee Koon , Wu Jie , Hor T. S. Andy , Luo He-Kuan
Published: September 2016

Binary catalyst systems comprising a cationic Ru–CNC pincer complex and an alkali metal salt were developed for selective hydroboration of CO2 at r.t. and 1 atm CO2, with [Ru(CNCBn)(CO)2(H)][PF6] and KOCO2tBu producing formoxyborane in 76% yield.
Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates
Authors: Packiaraj S. , Pushpaveni A. , Govindarajan S. , Rawson J. M.
Published: September 2016

Multicomponent crystals (either salts or co-crystals) of pyrazole-3,5-dicarboxylic acid (H3pzdc) with the nitrogen-containing organic bases guanidine (Gun), aminoguanidine (Agun), diaminoguanidine (Dagun) and triaminoguanidine (Tagun) have been synthesized and characterized by IR spectroscopy, TG-DTA, and single-crystal X-ray diffraction.
Adsorption in zeolites using mechanically embedded ONIOM clusters
Authors: Patet Ryan E. , Caratzoulas Stavros , Vlachos Dionisios G.
Published: September 2016

We have explored mechanically embedded three-layer QM/QM/MM ONIOM models for computational studies of binding in Al-substituted zeolites.
Thermal effect on the morphology and performance of organic photovoltaics
Authors: Kawashima Eisuke , Fujii Mikiya , Yamashita Koichi
Published: September 2016

The morphology of organic photovoltaics (OPVs) is a significant factor in improving performance, and establishing a method for controlling morphology is necessary.
Reactivity of electrophilic chlorine atoms due to σ-holes: a mechanistic assessment of the chemical reduction of a trichloromethyl group by sulfur nucleophiles
Authors: Caballero-García Guillermo , Romero-Ortega Moisés , Barroso-Flores Joaquín
Published: September 2016

σ-Holes are shown to promote the electrophilic behavior of chlorine atoms in a trichloromethyl group when bound to an electron-withdrawing moiety.
Modeling blue to UV upconversion in β-NaYF4:Tm3+
Authors: Villanueva-Delgado Pedro , Krämer Karl W. , Valiente Rafael , de Jong Mathijs , Meijerink Andries
Published: September 2016

The application of a new model reveals the energy transfer mechanisms responsible for upconverted UV luminescence after blue excitation in β-NaYF4:0.3% Tm3+.
Radiative cooling of H3O+ and its deuterated isotopologues
Authors: Melnikov Vladlen V. , Yurchenko Sergei N. , Tennyson Jonathan , Jensen Per
Published: September 2016

In conjunction with ab initio potential energy and dipole moment surfaces for the electronic ground state, we have made a theoretical study of the radiative lifetimes for the hydronium ion H3O+ and its deuterated isotopologues.
Atomically precise understanding of nanofluids: nanodiamonds and carbon nanotubes in ionic liquids
Authors: Chaban Vitaly V. , Fileti Eudes Eterno
Published: September 2016

A nanofluid (NF) is composed of a base liquid and suspended nanoparticles (NPs).
Dichlorophosphanyl isocyanate – spectroscopy, conformation and molecular structure in the gas phase and the solid state
Authors: Li Dingqing , Schwabedissen Jan , Stammler Hans-Georg , Mitzel Norbert W. , Willner Helge , Zeng Xiaoqing
Published: September 2016

The conformation and structure of dichlorophosphanyl isocyanate, Cl2PNCO, in both the gas phase and the solid state have been studied.
Dynamic quenching in single photosystem II supercomplexes
Authors: Gruber J. Michael , Xu Pengqi , Chmeliov Jevgenij , Krüger Tjaart P. J. , Alexandre Maxime T. A. , Valkunas Leonas , Croce Roberta , van Grondelle Rienk
Published: September 2016

Time-resolved fluorescence measurements of single PSII supercomplexes to investigate blinking and dynamic quenching in the context of non-photochemical quenching (NPQ).
Selective oxidation of alcohols on hydrogen titanate nanotubes under visible light irradiation: relationship between nanostructure and catalytic activity
Authors: Yang Juan , Shen Xiaoxiao , Wei Jianping , Zhang Lina , Zhao Dan , Yao Banghua
Published: September 2016

H-TNT exhibits improved visible-photocatalytic activity for alcohols oxidation over H-TNS and H-TNF, which is ascribed to the unique structural feature.
Synthesis of Bi2Te3and (BixSb1−x)2Te3nanoparticles using the novel IL [C4mim]3[Bi3I12]
Authors: Loor M. , Bendt G. , Hagemann U. , Wölper C. , Assenmacher W. , Schulz S.
Published: September 2016

[C4mim]3[Bi3I12] is a promising Bi-source for the ionothermal synthesis of binary (Bi2Te3) and ternary tetradymite-type nanoparticles (BixSb1−x)2Te3(x= 0.25, 0.5, 0.75) in ionic liquid.
A highly permeable graphene oxide membrane with fast and selective transport nanochannels for efficient carbon capture
Authors: Wang Shaofei , Wu Yingzhen , Zhang Ning , He Guangwei , Xin Qingping , Wu Xingyu , Wu Hong , Cao Xingzhong , Guiver Michael D. , Jiang Zhongyi
Published: September 2016

Tailored physicochemical microenvironments in stacked graphene oxide nanochannels give membranes with fast and highly selective CO2transport.
Quantitative urinalysis using aggregation-induced emission bioprobes for monitoring chronic kidney disease
Authors: Chen Tong , Xie Ni , Viglianti Lucia , Zhou Yabin , Tan Hui , Tang Ben Zhong , Tang Youhong
Published: September 2016

Early detection and appropriate management of chronic kidney disease can reduce the progression of kidney failure and cardiovascular disease. The urine albumin to creatinine ratio (UACR) test is a standard urine test for identifying individuals at high risk of developing progressive kidney disease. In this study, IDATPE, a novel fluorescent probe with aggregation-induced emission (AIE) features, is successfully developed for creatinine detection and quantitation. An excellent correlation between fluorescent light intensity and creatinine concentration is achieved. In addition, BSPOTPE, a reported excellent AIE bioprobe for human serum albumin (HSA) quantitation, is used together with IDATPE in artificial urine for UACR testing. The mutual interference of HSA and creatinine when the bioprobes are used for quantitation is characterised, with promising results. Further improvements and potential applications in CKD quantitation are highlighted.
Serum metabolomics of Indian women with polycystic ovary syndrome using 1H NMR coupled with a pattern recognition approach
Authors: RoyChoudhury Sourav , Mishra Biswa Prasanna , Khan Tila , Chattopadhayay Ratna , Lodh Indrani , Datta Ray Chaitali , Bose Gunja , Sarkar Himadri S. , Srivastava Sudha , Joshi Mamata V. , Chakravarty Baidyanath , Chaudhury Koel
Published: September 2016

A NMR based metabolomics study on Indian PCOS women was divided into discovery and validated phases.
Sono-assembly of nanostructures via tyrosine–tyrosine coupling reactions at the interface of acoustic cavitation bubbles
Authors: Cavalieri Francesca , Colombo Enrico , Nicolai Eleonora , Rosato Nicola , Ashokkumar Muthupandian
Published: September 2016

The reactive and oscillating surface of cavitation microbubbles acts as a catalytic binding site for the coupling of amphiphilic biomolecules.
A colorimetric sensor based on thiourea–polyvinyl alcohol microspheres for the selective recognition of Hg2+ and Cu2+
Authors: Bai Xue , Li Yulong , Ye Zhengfang
Published: September 2016

A novel colorimetric sensor was proposed, and the sensor can be used to monitor Hg2+ and Cu2+ ions.
Competition and cooperativity of σ-hole and π-hole intermolecular interactions between carbon monoxide and bromopentafluorobenzene
Authors: Zhou Pan-Pan , Yang Xing , Ye Weichun , Zhang Liang-Wei , Yang Fan , Zhou Da-Gang , Liu Shubin
Published: September 2016

The electronic complementary relationship between C6F5Br and CO enables them to interact with each other via σ-hole and π-hole intermolecular interactions.