bluuebunny/crossref_metadata_2025 huggingface dataset:
MODELLING ION, WATER AND ION–WATER CLUSTER ENTERING PEPTIDE NANOTUBES
Authors: THAMWATTANA N.
Published: September 2015

Recently, organic nanostructures have attracted much attention, and amongst them peptide nanotubes are of interest in many fields of application including medicine and nanobiotechnology. Peptide nanotubes are formed by self-assembly of cyclic peptides with alternating L- and D-amino acids. Due to their biodegradability, flexible design and easy synthesis, many applications have been proposed such as artificial transmembrane ion channels, templates for nanoparticles, mimicking pore structures, nanoscale testing tubes, biosensors and carriers for targeted drug delivery. The mechanisms of an ion, a water molecule and an ion–water cluster entering into a peptide nanotube of structure cyclo[(-D-Ala-L-Ala-)$_{4}$] are explored here. In particular, the Lennard-Jones potential and a continuum approach are employed to determine three entering mechanisms: (i) through the tube open end, (ii) through a region between each cyclic peptide ring and (iii) around the edge of the tube open end. The results show that while entering the nanotube by method (i) is possible, an ion or a molecule requires initial energy to overcome an energetic barrier to be able to enter the nanotube through positions (ii) and (iii). Due to its simple structure, the D-, L-Ala cyclopeptide nanotube is chosen in this model; however, it can be easily extended to include more complicated nanotubes.
Conceptualizing the European multilevel administrative order: capturing variation in the European administrative system
Authors: Trondal Jarle , Bauer Michael W.
Published: September 2015

Acknowledging that both analysts and practitioners face problems of meaningful categorization of social order in general, and the European political-administrative system in particular, this article suggests a conceptual frame through which European administrative order may be understood. Providing such a frame is important, because the catalogue of categories of the European Union (EU) polity developed so far fails to acknowledge its administrative dimension. Given that the ongoing political transformation in the EU implies ever more administrative interaction between political levels in order to coordinate, manage and implement policies, this administrative dimension becomes ever more important. This article thus sets out a threefold agenda: First, it offers a supplementary conceptual frame that takes the ‘administrative dimension’ seriously. It is suggested that the European politico-administrative organism should be conceived as a European multilevel administrative system (MLA) consisting of three dimensions: Institutional independence, integration and cooptation. Second, the article suggests how the MLA approach differs from one of its main conceptual rivals – the multilevel governance approach (MLG). Finally, the article offers some empirical illustrations of the value of the developed MLA approach for our understanding of the contemporary European administrative system.
Suicide mortality trends in Galicia, Spain and their relationship with economic indicators
Authors: Fernández-Navarro P. , Barrigón M. L. , Lopez-Castroman J. , Sanchez-Alonso M. , Páramo M. , Serrano M. , Arrojo M. , Baca-García E.
Published: September 2015

Background.

Recent research has shown an association between unemployment and suicide, but the mediating factors in this relationship are still unknown. In this study, we investigated the effect of unemployment and economic recession on suicide rates in the Spanish region of Galicia between 1975 and 2012

Method.

We analysed age-standardised suicide rates in men and women and in four age groups: less than 25 years, 25–45 years, 45–65 years and more than 65 years and performed a joinpoint analysis to determine trend changes throughout 1975–2012 period. Also we analysed the association between suicide, recession and unemployment by means of a temporal trend model with a Generalised Additive Model.

Results.

Suicide rates increased from 145 suicides in 1975 to a high in 1993, with 377 deaths by suicide, representing 1.38% of all causes of death, and thereafter they tend to decrease to 335 suicides in 2012. Joinpoint analyses revealed that suicide rates changed differently across sex and age groups. For men, the annual percentage of change (APC) between 1975 and 1988 (CI 95% 1986–1994) was 5.45 (CI 95% = 3.5, −7.2) but from 1988 the APC became negative [−0.66 (CI 95% = −1.3, −0.1)]. For women, APC between 1974 and 1990 (CI 95% 1986–1992) was 4.86 (CI 95% = 3.2, −6.4) and −1.46 subsequently (CI 95% = −2.2, −0.5). Women aged 24 years or less showed stable suicide rates while men from 45–65 years showed two incidence peaks. When we studied the independent correlation between unemployment, recession and suicide, we found a significant association between unemployment and suicide, but not between recession and suicide for both sexes together and for men while for women there was no significant correlation between suicide and unemployment or recession. Finally, when we studied the effect of the interaction between unemployment and recession on suicide we found economic recession and unemployment interacted with regards to suicide rates (F = 5.902; df = 4.167; p = 0.00098) and after adjusting by sex, the effect was confirmed among men (F = 4.827; df = 2.823; p = 0.0087), but not among women (F = 0.001; df = 1.000; p = 0.979).

Conclusions.

Although suicide rates in Galicia are gradually decreasing in the last decades, there are important sex and age differences. Unemployment was related with suicide during economic recession periods according to our results.
Intergenerational Cohort Study of Preterm and Small-for-Gestational-Age Birth in Twins and Singletons
Authors: Bladh Marie , Josefsson Ann , Carstensen John , Finnström Orvar , Sydsjö Gunilla
Published: September 2015

To date, several studies have investigated the intergenerational effect of preterm and small-for-gestational-age (SGA) births. However, most studies excluded both twin mothers and twin offspring from the analyses. Thus, the objective of this study was to investigate the intergenerational effect of preterm birth and SGA births among twins and singletons. A prospective population-based register study of mother–firstborn offspring pairs recorded in the Swedish Medical Birth Register was performed. The study included 4,073 twins and 264,794 singletons born from 1973–1983 and their firstborns born from 1986–2009. Preterm birth was defined as birth at <37 weeks of gestation, and SGA as birth weight <2 standard deviations of the Swedish standard. Logistic regressions were performed to estimate the intergenerational effect of each birth characteristic. Adjustments were made for maternal grandmothers’ and mothers’ socio-demographic factors, in addition to maternal birth characteristics. Among mothers born as singletons, being born preterm was associated with an increased risk of delivering a preterm child (adjusted odds ratio (OR) 1.39, 95% Confidence Interval (CI) = 1.29–1.50), while being born SGA increased the likelihood of having an SGA child (adjusted OR 3.04, 95% CI = 2.80–3.30) as well as a preterm child (adjusted OR 1.30, 95% CI = 1.20–1.40). In twin mothers, the corresponding ORs tended to be lower, and the only statistically significant association was between an SGA mother and an SGA child (adjusted OR 2.15, 95% CI = 1.40–3.31). A statistically significant interaction between twinning and mother's size for gestational age was identified in a multivariate linear regression analysis, indicating that singleton mothers born SGA were associated with a lower birth weight compared with mothers not born SGA. Preterm birth and SGA appear to be transferred from one generation to the next, although not always reaching statistical significance. These effects seem to be less evident in mothers born as twins compared with those born as singletons.
Kathetertechnische Behandlung der schweren Mitralinsuffizienz: derzeitige Indikationen
Authors: Naegeli Barbara , Franzen Olaf
Published: September 2015

Zusammenfassung. Die perkutane Mitralklappenrekonstruktion ist eine neue Technik zur Behandlung der schweren Mitralinsuffizienz (MI). Diese Methode kommt zurzeit vor allem bei betagten Patienten mit ausgeprägter Komorbidität zum Einsatz, die wegen zu hohen Operationsrisikos nicht am offenen Herzen operiert werden können. Bei den meisten Patienten kann eine deutliche Reduktion der Mitralinsuffizienz und dadurch eine klinische Verbesserung und Steigerung der Lebensqualität erreicht werden. Daneben zeigten Studien auch einen Reverse-remodeling-Prozess des linken Ventrikels. Im Vergleich zur alleinigen medikamentösen Therapie kann durch die Clip-Behandlung bei herzinsuffizienten Patienten mit relevanter MI die Rehospitalisationsrate um >50% gesenkt werden. Für Patienten mit degenerativer MI stellt die Klappenchirurgie den Goldstandard dar, für herzchirurgische Hochrisikopatienten und Patienten mit funktioneller MI ist die MitraClip®-Behandlung eine sinnvolle Alternative.
Robust and highly performant ring detection algorithm for 3d particle tracking using 2d microscope imaging
Authors: Afik Eldad
Published: September 2015

Three-dimensional particle tracking is an essential tool in studying dynamics under the microscope, namely, fluid dynamics in microfluidic devices, bacteria taxis, cellular trafficking. The 3d position can be determined using 2d imaging alone by measuring the diffraction rings generated by an out-of-focus fluorescent particle, imaged on a single camera. Here I present a ring detection algorithm exhibiting a high detection rate, which is robust to the challenges arising from ring occlusion, inclusions and overlaps and allows resolving particles even when near to each other. It is capable of real time analysis thanks to its high performance and low memory footprint. The proposed algorithm, an offspring of the circle Hough transform, addresses the need to efficiently trace the trajectories of many particles concurrently, when their number in not necessarily fixed, by solving a classification problem and overcomes the challenges of finding local maxima in the complex parameter space which results from ring clusters and noise. Several algorithmic concepts introduced here can be advantageous in other cases, particularly when dealing with noisy and sparse data. The implementation is based on open-source and cross-platform software packages only, making it easy to distribute and modify. It is implemented in a microfluidic experiment allowing real-time multi-particle tracking at 70 Hz, achieving a detection rate which exceeds 94% and only 1% false-detection.
High expression of SOX30 is associated with favorable survival in human lung adenocarcinoma
Authors: Han Fei , Liu Wenbin , Xiao Hualiang , Dong Yan , Sun Lei , Mao Chengyi , Yin Li , Jiang Xiao , Ao Lin , Cui Zhihong , Cao Jia , Liu Jinyi
Published: September 2015

In our previous study, we had identified SOX30 as a novel tumor suppressor that acts through direct regulation of p53 transcription in human lung cancer. Here, we sought to determine the clinical relevance of SOX30 expression in a series of surgically-resected non-small cell lung cancer (NSCLC) patients. Analysis of SOX30 expression and clinico-pathologic features reveal a significant correlation of SOX30 expression with histological type (n = 220, P = 0.008) and clinical stage (n = 220, P = 0.024). Kaplan-Meier analysis indicates an association of high SOX30 expression with better prognosis in NSCLC patients (n = 220, P = 0.007). Via multivariate Cox-regression analysis, SOX30 expression is revealed to be an independent prognostic factor for overall survival (OS) of NSCLC patients (n = 220, P = 0.014, hazard ratio (HR) = 0.816). In particular, SOX30 is a favorable and independent prognostic factor in one main subtype of NSCLC, lung adenocarcinoma (ADC) patients (n = 150, P = 0.000, HR = 0.405), but not in another main subtype of NSCLC, squamous cell carcinoma patients. Furthermore, high expression of SOX30 represents a favorable and independent factor for the prognosis of ADC patients at clinical stage II (P = 0.013), with positive lymph node (P = 0.003), at histological grade 2 (P = 0.000) or grade 3 (P = 0.025). In summary, SOX30 expression represents an important prognostic factor for survival time in ADC patients.
Diverse lattice dynamics in ternary Cu-Sb-Se compounds
Authors: Qiu Wujie , Wu Lihua , Ke Xuezhi , Yang Jihui , Zhang Wenqing
Published: September 2015

Searching and designing materials with extremely low lattice thermal conductivity (LTC) has attracted considerable attention in material sciences. Here we systematically demonstrate the diverse lattice dynamics of the ternary Cu-Sb-Se compounds due to the different chemical-bond environments. For Cu3SbSe4 and CuSbSe2, the chemical bond strength is nearly equally distributed in crystalline bulk and all the atoms are constrained to be around their equilibrium positions. Their thermal transport behaviors are well interpreted by the perturbative phonon-phonon interactions. While for Cu3SbSe3 with obvious chemical-bond hierarchy, one type of atoms is weakly bonded with surrounding atoms, which leads the structure to the part-crystalline state. The part-crystalline state makes a great contribution to the reduction of thermal conductivity that can only be effectively described by including a rattling-like scattering process in addition to the perturbative method. Current results may inspire new approaches to designing materials with low lattice thermal conductivities for high-performance thermoelectric conversion and thermal barrier coatings.
Multiplexed In-cell Immunoassay for Same-sample Protein Expression Profiling
Authors: Shang Jing , Zrazhevskiy Pavel , Postupna Nadia , Keene C. Dirk , Montine Thomas J. , Gao Xiaohu
Published: September 2015

In-cell immunoassays have become a valuable tool for protein expression analysis complementary to established assay formats. However, comprehensive molecular characterization of individual specimens has proven challenging and impractical due to, in part, a singleplex nature of reporter enzymes and technical complexity of alternative assay formats. Herein, we describe a simple and robust methodology for multiplexed protein expression profiling on the same intact specimen, employing a well-characterized enzyme alkaline phosphatase for accurate quantification of all targets of interest, while overcoming fundamental limitations of enzyme-based techniques by implementing the DNA-programmed release mechanism for segregation of sub-sets of target-bound reporters. In essence, this methodology converts same-sample multi-target labeling into a set of isolated singleplex measurements performed in a parallel self-consistent fashion. For a proof-of-principle, multiplexed detection of three model proteins was demonstrated on cultured HeLa cells and two clinically-relevant markers of dementia, β-amyloid and PHF-tau, were profiled in formalin-fixed paraffin embedded brain tissue sections, uncovering correlated increase in abundance of both markers in the “Alzheimer’s disease” cohort. Featuring an analytically powerful yet technically simple and robust methodology, multiplexed in-cell immunoassay is expected to enable insightful same-sample protein profiling studies and become broadly adopted in biomedical research and clinical diagnostics.
Phosphoproteomic profiling of tumor tissues identifies HSP27 Ser82 phosphorylation as a robust marker of early ischemia
Authors: Zahari Muhammad Saddiq , Wu Xinyan , Pinto Sneha M. , Nirujogi Raja Sekhar , Kim Min-Sik , Fetics Barry , Philip Mathew , Barnes Sheri R. , Godfrey Beverly , Gabrielson Edward , Nevo Erez , Pandey Akhilesh
Published: September 2015

Delays between tissue collection and tissue fixation result in ischemia and ischemia-associated changes in protein phosphorylation levels, which can misguide the examination of signaling pathway status. To identify a biomarker that serves as a reliable indicator of ischemic changes that tumor tissues undergo, we subjected harvested xenograft tumors to room temperature for 0, 2, 10 and 30 minutes before freezing in liquid nitrogen. Multiplex TMT-labeling was conducted to achieve precise quantitation, followed by TiO2 phosphopeptide enrichment and high resolution mass spectrometry profiling. LC-MS/MS analyses revealed phosphorylation level changes of a number of phosphosites in the ischemic samples. The phosphorylation of one of these sites, S82 of the heat shock protein 27 kDa (HSP27), was especially abundant and consistently upregulated in tissues with delays in freezing as short as 2 minutes. In order to eliminate effects of ischemia, we employed a novel cryogenic biopsy device which begins freezing tissues in situ before they are excised. Using this device, we showed that the upregulation of phosphorylation of S82 on HSP27 was abrogated. We thus demonstrate that our cryogenic biopsy device can eliminate ischemia-induced phosphoproteome alterations and measurements of S82 on HSP27 can be used as a robust marker of ischemia in tissues.
Frankincense and myrrh suppress inflammation via regulation of the metabolic profiling and the MAPK signaling pathway
Authors: Su Shulan , Duan Jinao , Chen Ting , Huang Xiaochen , Shang Erxin , Yu Li , Wei Kaifeng , Zhu Yue , Guo Jianming , Guo Sheng , Liu Pei , Qian Dawei , Tang Yuping
Published: September 2015

Frankincense and myrrh are highly effective in treatment of inflammatory diseases, but lacking of the therapy mechanisms. We undertook this study to evaluate the effects on Adjuvant-induced Arthritis (AIA) rats and to explore the underlying mechanisms by analyzing the metabolic profiling and signaling pathway evaluated by expression of inflammatory cytokines, c-jun and c-fos and corresponding phosphorylation levels. The results stated the elevated expression levels of TNFα, PGE2, IL-2, NO and MDA in serum and swelling paw of AIA rats were significantly decreased after treatment, which exerted more remarkable inhibitive effects of combined therapy. The metabolic profiling of plasma and urine were clearly improved and twenty-one potential biomarkers were identified. Moreover, the inhibited effects of five bioactive components on cytokine transcription in PHA stimulated-PBMC showed the MAPK pathway might account for this phenomenon with considerable reduction in phosphorylated forms of all the three MAPK (ERK1/2, p38 and JNK) and down regulation of c-jun and c-fos.
Dissolution-and-reduction CVD synthesis of few-layer graphene on ultra-thin nickel film lifted off for mode-locking fiber lasers
Authors: Peng Kaung-Jay , Lin Yung-Hsiang , Wu Chung-Lun , Lin Sheng-Fong , Yang Chun-Yu , Lin Shih-Meng , Tsai Din-Ping , Lin Gong-Ru
Published: September 2015

The in-situ dissolution-and-reduction CVD synthesized few-layer graphene on ultra-thin nickel catalyst film is demonstrated at temperature as low as 550 °C, which can be employed to form transmission-type or reflection-type saturable absorber (SA) for mode-locking the erbium-doped fiber lasers (EDFLs). With transmission-type graphene SA, the EDFL shortens its pulsewidth from 483 to 441 fs and broadens its spectral linewidth from 4.2 to 6.1 nm with enlarging the pumping current from 200 to 900 mA. In contrast, the reflection-type SA only compresses the pulsewidth from 875 to 796 fs with corresponding spectral linewidth broadened from 2.2 to 3.3 nm. The reflection-type graphene mode-locker increases twice of its equivalent layer number to cause more insertion loss than the transmission-type one. Nevertheless, the reflection-type based saturable absorber system can generate stabilized soliton-like pulse easier than that of transmission-type system, because the nonlinearity induced self-amplitude modulation depth is simultaneously enlarged when passing through the graphene twice under the retro-reflector design.
Preparation of TiO2-supported twinned gold nanoparticles by CO treatment and their CO oxidation activity
Authors: Ohyama Junya , Koketsu Taiki , Yamamoto Yuta , Arai Shigeo , Satsuma Atsushi
Published: September 2015

Au/TiO2prepared by CO treatment showed high catalytic activity for CO oxidation due to twinned structure of Au nanoparticles.
Defective SrTiO3 synthesized by arc-melting
Authors: Yu Wen , Ou Gang , Si Wenjie , Qi Longhao , Wu Hui
Published: September 2015

Defective perovskite SrTiO3 has been synthesized by rapid solidification of its melts obtained from arc-melting treatment.
Centerband-only-detection-of-exchange 31P nuclear magnetic resonance and phospholipid lateral diffusion: theory, simulation and experiment
Authors: Lai Angel , Saleem Qasim , Macdonald Peter M.
Published: September 2015

Theory of CODEX 31P NMR lateral diffusion coefficient measurements on phospholipids in spherical vesicles is described and used to simulate experimental results on DMPC in both the gel and liquid-crystalline phases.
Shapes for maximal coverage for two-dimensional random sequential adsorption
Authors: Cieśla Michał , Paja̧k Grzegorz , Ziff Robert M.
Published: September 2015

Maximal possible saturated random packing fractions and corresponding values of anisotropy level for which they are reached.
Structure investigations on oxygen fluorides
Authors: Marx Rupert , Seppelt Konrad
Published: September 2015

The solid state structures of O2F2 and OF2 resemble those in the gaseous state. Attempts to isolate the proposed (O2+)2PdF62− from O2F in HF result in the formation of (O2+H3Pd2F12−)n.
Palladium(ii) complexes with highly basic imidazolin-2-imines and their reactivity toward small bio-molecules
Authors: Bogojeski Jovana , Volbeda Jeroen , Freytag Matthias , Tamm Matthias , Bugarčić Živadin D.
Published: September 2015

Pd(ii) complexes with chelating imidazolin-2-imine ligands were synthesized, and the pKavalues and reactivity of these complexes were investigated.
A lab-on-a-chip system integrating tissue sample preparation and multiplex RT-qPCR for gene expression analysis in point-of-care hepatotoxicity assessment
Authors: Lim Geok Soon , Chang Joseph S. , Lei Zhang , Wu Ruige , Wang Zhiping , Cui Kemi , Wong Stephen
Published: September 2015

In this study, we realize an integrated lab-on-a-chip system with “sample-in-answer-out” multiplex gene expression analysis capabilities for point-of-care hepatotoxicity assessment.
Review: in vitro microvessel models
Authors: Bogorad Max I. , DeStefano Jackson , Karlsson Johan , Wong Andrew D. , Gerecht Sharon , Searson Peter C.
Published: September 2015

Perfusable microvessel models.
Genotype–phenotype modeling considering intermediate level of biological variation: a case study involving sensory traits, metabolites and QTLs in ripe tomatoes
Authors: Wang Huange , Paulo Joao , Kruijer Willem , Boer Martin , Jansen Hans , Tikunov Yury , Usadel Björn , van Heusden Sjaak , Bovy Arnaud , van Eeuwijk Fred
Published: September 2015

We integrate Gaussian graphical modelling and causal inference to infer dependency networks from multilevel phenotypic and omics data.
Highly enantioselective Michael addition reactions of 2-substituted benzofuran-3(2H)-ones to nitroolefins
Authors: Zhang Zhi-Pei , Dong Nan , Li Xin , Cheng Jin-Pei
Published: September 2015

A highly enantioselective Michael addition reaction of 2-substituted benzofuran-3(2H)-ones to nitroolefins was promoted by a bifunctional squaramide catalyst.
Synthetic studies on the bioactive tetramic acid JBIR-22 using a late stage Diels–Alder reaction
Authors: Healy A. R. , Westwood N. J.
Published: September 2015

A successful late-stage Diels–Alder cyclisation in the synthesis of JBIR-22 highlights it as a viable biosynthetic event.
The effect of counter ions on the far-infrared spectra of tris(triphenylphosphinegold)oxonium dimer salts
Authors: Bennett Trystan , Falcinella Alexander J. , White Reuben J. , Adnan Rohul H. , Golovko Vladimir , Andersson Gunther G. , Metha Gregory F.
Published: September 2015

The far-infrared spectra of two tris(triphenylphosphinegold)oxonium dimer salts in the 50–800 cm−1region were recorded using synchrotron-based IR radiation, and comprehensively assigned utilising density functional theory calculations.
Interactions of the primers and Mg2+with graphene quantum dots enhance PCR performance
Authors: Zhu Meidong , Luo Chao , Zhang Fangwei , Liu Fei , Zhang Jingyan , Guo Shouwu
Published: September 2015

GQDs enhance PCR performance through stacking the primers selectively, tuning the activity of polymeraseviachelating Mg2+, and accelerating the PCR reaction by adsorbing PCR reaction components together to increase their proximity.
Homogeneous nanosheet Co3O4 film prepared by novel unipolar pulse electro-deposition method for electrochemical water splitting
Authors: Li Xiumin , Guan Guoqing , Du Xiao , Jagadale Ajay D. , Cao Ji , Hao Xiaogang , Ma Xuli , Abudula Abuliti
Published: September 2015

Homogeneous nanosheet Co3O4 film prepared by novel unipolar pulse electro-deposition method shows high catalytic activity for electrochemical water splitting.
Sun-light-driven photocatalytic activity by ZnO/Ag heteronanostructures synthesized via a facile thermal decomposition approach
Authors: Kandula Syam , Jeevanandam Pethaiyan
Published: September 2015

ZnO/Ag heteronanostructures with good photocatalytic activity towards photodegradation of methylene blue have been synthesized using a facile thermal decomposition approach.
Solvent-induced self-assembly synthesis of ultralong single crystalline organic NiOEP nanowires with high photoconductivity
Authors: Wang Juan-Ye , Peng Hong-Dan , Yang Jia-Mei , Yan Jing-Hui , Pan Ge-Bo
Published: September 2015

We develop a facile approach for the one-step growth of ultralong and high-quality NiOEP nanowires in a large area, through a solvent-induced self-assembly method without using any structure directing agents.
Efficient synthesis of p-chlorobenzaldehyde through liquid-phase oxidation of p-chlorotoluene using manganese-containing ZSM-5 as catalyst
Authors: Zhou Wei-Fang , Chen Lang , Xie Jun , Au Chak-Tong , Yin Shuang-Feng
Published: September 2015

Efficient synthesis of p-chlorobenzaldehyde by liquid-phase oxidation of p-chlorotoluene with molecular oxygen was achieved over Mn–ZSM-5 (Si/Mn = 48, Mn 1.7 wt%).
Correction: Selective detection of fluoride using fused quinoline systems: effect of pyrrole
Authors: Akula Mahesh , Thigulla Yadagiri , Nag Amit , Bhattacharya Anupam
Published: September 2015

Correction for ‘Selective detection of fluoride using fused quinoline systems: effect of pyrrole’ by Mahesh Akula et al., RSC Adv., 2015, 5, 57231–57234.
Vesicle-like nanospheres of amorphous calcium phosphate: sonochemical synthesis using the adenosine 5′-triphosphate disodium salt and their application in pH-responsive drug delivery
Authors: Qi Chao , Zhu Ying-Jie , Zhang Yong-Gang , Jiang Ying-Ying , Wu Jin , Chen Feng
Published: September 2015

Amorphous calcium phosphate vesicle-like nanospheres synthesized sonochemically using ATP can be used as pH-responsive drug nanocarriers.
Cyclophilin40 isomerase activity is regulated by a temperature-dependent allosteric interaction with Hsp90
Authors: Blackburn Elizabeth A. , Wear Martin A. , Landré Vivian , Narayan Vikram , Ning Jia , Erman Burak , Ball Kathryn L. , Walkinshaw Malcolm D.
Published: September 2015

Cyclophilin 40 (Cyp40) comprises an N-terminal cyclophilin domain with peptidyl-prolyl isomerase (PPIase) activity and a C-terminal tetratricopeptide repeat (TPR) domain that binds to the C-terminal–EEVD sequence common to both heat shock protein 70 (Hsp70) and Hsp90. We show in the present study that binding of peptides containing the MEEVD motif reduces the PPIase activity by ∼30%. CD and fluorescence assays show that the TPR domain is less stable than the cyclophilin domain and is stabilized by peptide binding. Isothermal titration calorimetry (ITC) shows that the affinity for the–MEEVD peptide is temperature sensitive in the physiological temperature range. Results from these biophysical studies fit with the MD simulations of the apo and holo (peptide-bound) structures which show a significant reduction in root mean square (RMS) fluctuation in both TPR and cyclophilin domains when–MEEVD is bound. The MD simulations of the apo-protein also highlight strong anti-correlated motions between residues around the PPIase-active site and a band of residues running across four of the seven helices in the TPR domain. Peptide binding leads to a distortion in the shape of the active site and a significant reduction in these strongly anti-correlated motions, providing an explanation for the allosteric effect of ligand binding and loss of PPIase activity. Together the experimental and MD results suggest that on heat shock, dissociation of Cyp40 from complexes mediated by the TPR domain leads to an increased pool of free Cyp40 capable of acting as an isomerase/chaperone in conditions of cellular stress.
Satisfaction With Communication Using Remote Face-to-Face Language Interpretation Services With Spanish-Speaking Parents: A Pilot Study
Authors: Nicholson Nannette , Martin Patti F. , Muñoz Karen
Published: September 2015

Effective communication in clinical encounters is dependent upon the exchange of accurate information between clinician and patient and the use of interpersonal skills that foster development of the patient-provider relationship and demonstrate understanding of the patient's social and cultural background. These skills are of critical importance in the diagnosis and management of hearing loss in children of Spanish-speaking families. While the provision of family friendly, culturally sensitive services to families of children with hearing loss can be challenging for audiologists and speech-language pathologists, the quality and satisfaction of these services is widely recognized as the cornerstone of patient satisfaction and improved outcomes. The purpose of this pilot study was to explore patient, audiologist, and interpreter satisfaction of the use of remote face-to-face language interpretation technologies in the context of audiology services. Parent participants rated each session regarding satisfaction with the communication exchange, audiology services, and the interpreting experience. Audiologists rated their satisfaction with the communication exchange, relationship with the parent, and experience with the interpreter. Interpreters rated their satisfaction with the logistics regarding the appointment, information exchange, and experience in working with the audiologist. Audiologists and interpreters were asked to identify what worked well and what challenges needed to be addressed. Data from this pilot study can be used to guide future efforts in providing high quality language interpretation services to Spanish-speaking families of young children who are at risk for or have been diagnosed with hearing loss.
Integrating plasmonic diagnostics and microfluidics
Authors: Niu Lifang , Zhang Nan , Liu Hong , Zhou Xiaodong , Knoll Wolfgang
Published: September 2015

Plasmonics is generally divided into two categories: surface plasmon resonance (SPR) of electromagnetic modes propagating along a (noble) metal/dielectric interface and localized SPRs (LSPRs) on nanoscopic metallic structures (particles, rods, shells, holes, etc.). Both optical transducer concepts can be combined with and integrated in microfluidic devices for biomolecular analyte detections, with the benefits of small foot-print for point-of-care detection, low-cost for one-time disposal, and ease of being integrated into an array format. The key technologies in such integration include the plasmonic chip, microfluidic channel fabrication, surface bio-functionalization, and selection of the detection scheme, which are selected according to the specifics of the targeting analytes. This paper demonstrates a few examples of the many versions of how to combine plasmonics and integrated microfluidics, using different plasmonic generation mechanisms for different analyte detections. One example is a DNA sensor array using a gold film as substrate and surface plasmon fluorescence spectroscopy and microscopy as the transduction method. This is then compared to grating-coupled SPR for poly(ethylene glycol) thiol interaction detected by angle interrogation, gold nanohole based LSPR chip for biotin-strepavidin detection by wavelength shift, and gold nanoholes/nanopillars for the detection of prostate specific antigen by quantum dot labels excited by the LSPR. Our experimental results exemplified that the plasmonic integrated microfluidics is a promising tool for understanding the biomolecular interactions and molecular recognition process as well as biosensing, especially for on-site or point-of-care diagnostics.
Room-temperature calorimeter for x-ray free-electron lasers
Authors: Tanaka T. , Kato M. , Saito N. , Tono K. , Yabashi M. , Ishikawa T.
Published: September 2015

We have developed a room-temperature calorimeter for absolute radiant power measurements of x-ray free-electron lasers. This room-temperature calorimeter is an electrical substitution device based on the equivalence of electrical and radiant heating. Consequently, the measured radiant powers are traceable to electrical standards, i.e., the International System Units (SI). We demonstrated the performance of the room-temperature calorimeter by electrical power measurements (offline tests). In the offline tests, the room-temperature calorimeter was proven to be able to measure external powers up to at least 6.9 mW, which exceeds the upper limit (∼4 mW) of a cryogenic radiometer (the primary standard detector in Japan). In addition, measurement uncertainties of the room-temperature calorimeter were evaluated to be less than 1.0%, which is adequate for the radiant power measurements of x-ray free-electron lasers. An indirect comparison with the cryogenic radiometer was performed using a synchrotron radiation source to confirm the validity of the absolute radiant powers measured with the room-temperature calorimeter. The absolute radiant powers measured by the calorimeter agreed with those measured by the cryogenic radiometer within 0.6%, which is less than the relative standard uncertainty of the comparison (1.0%).
Structural and electronic properties of AlN(0001) surface under partial N coverage as determined by ab initio approach
Authors: Strak Pawel , Sakowski Konrad , Kempisty Pawel , Krukowski Stanislaw
Published: September 2015

Properties of bare and nitrogen-covered Al-terminated AlN(0001) surface were determined using density functional theory (DFT) calculations. At a low nitrogen coverage, the Fermi level is pinned by Al broken bond states located below conduction band minimum. Adsorption of nitrogen is dissociative with an energy gain of 6.05 eV/molecule at a H3 site creating an overlap with states of three neighboring Al surface atoms. During this adsorption, electrons are transferred from Al broken bond to topmost N adatom states. Accompanying charge transfer depends on the Fermi level. In accordance with electron counting rule (ECR), the DFT results confirm the Fermi level is not pinned at the critical value of nitrogen coverage θN(1) = 1/4 monolayer (ML), but it is shifted from an Al-broken bond state to Npz state. The equilibrium thermodynamic potential of nitrogen in vapor depends drastically on the Fermi level pinning being shifted by about 4 eV for an ECR state at 1/4 ML coverage. For coverage above 1/4 ML, adsorption is molecular with an energy gain of 1.5 eV at a skewed on-top position above an Al surface atom. Electronic states of the admolecule are occupied as in the free molecule, no electron transfer occurs and adsorption of a N2 molecule does not depend on the Fermi level. The equilibrium pressure of molecular nitrogen above an AlN(0001) surface depends critically on the Fermi level position, being very low and very high for low and high coverage, respectively. From this fact, one can conclude that at typical growth conditions, the Fermi level is not pinned, and the adsorption and incorporation of impurities depend on the position of Fermi level in the bulk.
A simple methodology for capacity sizing of cogeneration and trigeneration plants in hospitals: A case study for a university hospital
Authors: Teke A. , Zor K. , Timur O.
Published: September 2015

Energy efficiency applications have great importance for facilities that utilize large amount of electrical and heat energy. Cogeneration (so called Combined Heat and Power; abbreviated as CHP) plants with gas engines are capable of generating both electrical and heat energy simultaneously using a single fuel input. In recent years, the realization of license exemption for facilities willing to produce electricity just for their energy demands by ensuring the condition of 80% total efficiency, low carbon emission of systems contain gas engines, rapid operation for synchronization and shortness of payback periods make cogeneration and trigeneration (so called Combined Cooling, Heat and Power; abbreviated as CCHP) plants more popular. This paper (i) briefly reviews cogeneration and trigeneration plants and their advantages, (ii) presents a novel methodology to determine the optimal capacity ratings for the plants by using the energy consumption profile, (iii) illustrates the calculation procedures including economic profit, thermal efficiency, and electricity generation of the selected system, and (iv) suggests the optimal capacity, plant placement and configuration for a medium-scale hospital. The energy savings potential at the university hospital is estimated as 19.66% and 19.52% with the use of natural gas based cogeneration and trigeneration plant, respectively.
A Density Functional Theory Investigation of the Tandem Radical Cyclization of 1-[2-Yl-3-(2-Methoxyphenyl)-prop-2-enyl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
Authors: Yuan Lang , Yu Hai-Tao
Published: September 2015

A density functional theory investigation of the mechanism of the titled reaction has been performed. The results suggest that the compound 1-[2-iodo-3-(2-methoxyphenyl)-prop-2-enyl]-6-oxo-1,6-dihydropyridine-2-carbonitrile would rather be converted into the titled free radical by deiodination than go by way of a Diels–Alder cycloaddition and HI-elimination to access the experimentally observed product. The deiodination of the radical precursor is followed by tandem radical cyclizations and hydrogen-loss oxidations to generate tetracyclic non-radical products. The mechanism of the tandem reaction was determined by an examination of the calculated reaction barriers, attack trajectories, and interaction energies between key orbitals. Furthermore, the H-loss oxidation of the addition intermediates by several H-abstractors were carefully analyzed. The theoretical results are in close agreement with the available experimental evidence. The detailed reaction mechanism and knowledge of such an intramolecular tandem radical cyclization presented in this study not only provide insight into the nature of tandem cyclizations but also serves as a useful guide for future experimental investigations.
Thermodynamics and signatures of criticality in a network of neurons
Authors: Tkačik Gašper , Mora Thierry , Marre Olivier , Amodei Dario , Palmer Stephanie E. , Berry Michael J. , Bialek William
Published: September 2015

Significance

The activity of a brain—or even a small region of a brain devoted to a particular task—cannot be just the summed activity of many independent neurons. Here we use methods from statistical physics to describe the collective activity in the retina as it responds to complex inputs such as those encountered in the natural environment. We find that the distribution of messages that the retina sends to the brain is very special, mathematically equivalent to the behavior of a material near a critical point in its phase diagram.
Generic stationary measures and actions
Authors: Bowen Lewis , Hartman Yair , Tamuz Omer
Published: September 2015

Let

G
G

be a countably infinite group, and let

μ
\mu

be a generating probability measure on

G
G

. We study the space of

μ
\mu

-stationary Borel probability measures on a topological

G
G

space, and in particular on

Z
G

Z^G

, where

Z
Z

is any perfect Polish space. We also study the space of

μ
\mu

-stationary, measurable

G
G

-actions on a standard, nonatomic probability space.

Equip the space of stationary measures with the weak* topology. When

μ
\mu

has finite entropy, we show that a generic measure is an essentially free extension of the Poisson boundary of

(
G
,
μ
)

(G,\mu )

. When

Z
Z

is compact, this implies that the simplex of

μ
\mu

-stationary measures on

Z
G

Z^G

is a Poulsen simplex. We show that this is also the case for the simplex of stationary measures on

{
0
,
1

}
G

\{0,1\}^G

.

We furthermore show that if the action of

G
G

on its Poisson boundary is essentially free, then a generic measure is isomorphic to the Poisson boundary.

Next, we consider the space of stationary actions, equipped with a standard topology known as the weak topology. Here we show that when

G
G

has property (T), the ergodic actions are meager. We also construct a group

G
G

without property (T) such that the ergodic actions are not dense, for some

μ
\mu

.

Finally, for a weaker topology on the set of actions, which we call the very weak topology, we show that a dynamical property (e.g., ergodicity) is topologically generic if and only if it is generic in the space of measures. There we also show a Glasner-King type 0-1 law stating that every dynamical property is either meager or residual.
Differentiability of the conjugacy in the Hartman-Grobman Theorem
Authors: Zhang Wenmeng , Lu Kening , Zhang Weinian
Published: September 2015

The classical Hartman-Grobman Theorem states that a smooth diffeomorphism

F
(
x
)

F(x)

near its hyperbolic fixed point

x
¯

\bar x

is topological conjugate to its linear part

D
F
(

x
¯

)

DF(\bar x)

by a local homeomorphism

Φ
(
x
)

\Phi (x)

. In general, this local homeomorphism is not smooth, not even Lipschitz continuous no matter how smooth

F
(
x
)

F(x)

is. A question is: Is this local homeomorphism differentiable at the fixed point? In a 2003 paper by Guysinsky, Hasselblatt and Rayskin, it is shown that for a

C
∞

C^\infty

diffeomorphism

F
(
x
)

F(x)

, the local homeomorphism indeed is differentiable at the fixed point. In this paper, we prove for a

C
1

C^1

diffeomorphism

F
(
x
)

F(x)

with

D
F
(
x
)

DF(x)

being

α
\alpha

-Hölder continuous at the fixed point that the local homeomorphism

Φ
(
x
)

\Phi (x)

is differentiable at the fixed point. Here,

α
>
0

\alpha >0

depends on the bands of the spectrum of

F
′

(

x
¯

)

F’(\bar x)

for a diffeomorphism in a Banach space. We also give a counterexample showing that the regularity condition on

F
(
x
)

F(x)

cannot be lowered to

C
1

C^1

.
John Tyndall's religion: a fragment
Authors: Cantor Geoffrey
Published: September 2015

Both contemporaries and historians have focused on the high-profile 1874 Belfast Address in which John Tyndall was widely perceived as promulgating atheism. Although some historians have instead interpreted him as a pantheist or an agnostic, it is clear that any such labels do not accurately capture Tyndall's religious position throughout his life. By contrast, this paper seeks to chart Tyndall's religious journey from 1840 (when he was in his late teens) to the autumn of 1848 when he commenced his scientific studies at Marburg. Although he had been imbued with his father's stern conservative Irish Protestantism and opposition to Catholicism, as a youth he seems for a time to have been attracted to Methodism. Later, however, he questioned and rejected his father's religious views and was increasingly drawn to the more spiritual outlook of Ralph Waldo Emerson and Thomas Carlyle, along with a more radical attitude to politics.
Using Ancient Samples in Projection Analysis
Authors: Yang Melinda A. , Slatkin Montgomery
Published: September 2015

Projection analysis is a useful tool for understanding the relationship of two populations. It compares a test genome to a set of genomes from a reference population. The projection’s shape depends on the historical relationship of the test genome’s population to the reference population. Here, we explore the effects on the projection when ancient samples are included in the analysis. First, we conduct a series of simulations in which the ancient sample is directly ancestral to a present-day population (one-population model) or the ancient sample is ancestral to a sister population that diverged before the time of sampling (two-population model). We find that there are characteristic differences between the projections for the one-population and two-population models, which indicate that the projection can be used to determine whether a test genome is directly ancestral to a present day population or not. Second, we compute projections for several published ancient genomes. We compare three Neanderthals, the Denisovan and three ancient human genomes to European, Han Chinese and Yoruba reference panels. We use a previously constructed demographic model and insert these seven ancient genomes and assess how well the observed projections are recovered.
Species Tailoured Contribution of Volumetric Growth and Tissue Convergence to Posterior Body Elongation in Vertebrates
Authors: Steventon Ben , Duarte Fernando , Lagadec Ronan , Mazan Sylvie , Nicolas Jean-François , Hirsinger Estelle
Published: September 2015

Axial elongation is a widespread mechanism propelling the generation of the metazoan body plan. A widely accepted model is that of posterior growth, where new tissue is continually added from the posterior unsegmented tip of the body axis. A key question is whether or not such a posterior growth zone generates sufficient additional tissue volume to generate elongation of the body axis, and the degree to which this is balanced with tissue convergence and/or growth in already segmented regions of the body axis. We applied a multi-scalar morphometric analysis during posterior axis elongation in zebrafish. Importantly, by labelling of specific regions/tissues and tracking their deformation, we observed that the unsegmented region does not generate additional tissue volume at the caudal tip. Instead, it contributes to axis elongation by extensive tissue deformation at constant volume. We show that volumetric growth occurs in the segmented portion of the axis and can be attributed to an increase in the size and length of the spinal cord and notochord. FGF inhibition blocks tissue convergence within the tailbud and unsegmented region rather than affecting volumetric growth, showing that a conserved molecular mechanism can control convergent morphogenesis, even if by different cell behaviours. Finally, a comparative morphometric analysis in lamprey, dogfish, zebrafish and mouse reveal a differential contribution of volumetric growth that is linked to a switch between external and internal modes of development. We propose that posterior growth is not a conserved mechanism to drive axis elongation in vertebrates. It is instead associated with an overall increase in growth characteristic of internally developing embryos that undergo embryonic development concomitantly with an increase in energy supply from the female parent.