bluuebunny/crossref_metadata_2025 huggingface dataset:
Squid Ink‐Assisted Fabricating MoS2 Nanosheets/Ultrafine Biocarbon Spheres Composites with an Enhanced Lithium Ion Storage Performance
Authors: Yang Rongrong , Wang Jifei , Liu Wei , Zhang Yuan , Wang Huanlei , Liu Shuang , Guo Yaqi , Chen Shougang
Published: September 2017

A strategy of utilizing biomass in energy applications has been highly concerned due to their low cost, renewability and environmental friendly. In this work, as one of rare zero‐dimensional biomass, squid inks composed of numerous uniform nanospheres are employed as both template and carbon source to fabricate a novel MoS2/carbon sphere composites by a facile glucose‐containing hydrothermal method and heat treatment. Differing to the common vertical growth of MoS2 nanosheets on the surface of substrates, the growth of the ultrathin MoS2 nanosheets along the surface of biospheres can be noticed evidently, leading to a closer combination of MoS2 nanosheets and carbon spheres. The as‐obtained MoS2/carbon sphere composites are further coated by a carbon film derived from glucoses to form a novel hierarchical porous architecture, thus showing the better structural integrity of the electrode materials, the enhanced electrical conductivity and the quick transport of electrons and Li+ ions. As anode materials of lithium ion batteries, the composites exhibit the excellent reversible discharge capacity with 97% of its initial capacity after 100 cycles at 0.5 A/g and rate capability of 510 mAh/g even at 10 A/g. These results not only indicate that the obtained product is a promising anode material for advanced LIBs, but also provides a new strategy for rational utilization of biotemplates.
Ammonothermal Synthesis of Alkali‐Alkaline Earth Metal and Alkali‐Rare Earth Metal Carbodiimides: K5–xMx(CN2)2+x(HCN2)1–x(M= Sr, Eu) and Na4.32Sr0.68(CN2)2.68(HCN2)0.32
Authors: Mallmann Mathias , Häusler Jonas , Cordes Niklas , Schnick Wolfgang
Published: September 2017

Alkali‐alkaline earth metal and alkali‐rare earth metal carbodiimides, namely K5–xMx(CN2)2+x(HCN2)1–x(x= 0 – 1) (M= Sr, Eu) and Na4.32Sr0.68(CN2)2.68(HCN2)0.32, were synthesized under ammonothermal conditions in high‐pressure autoclaves. The structures of the three compounds can be derived from homeotypic K5H(CN2)3and Na5H(CN2)3by partial substitution of K+or Na+by Sr2+or Eu2+. The reactions were carried out in two step syntheses (T1= 673 K,T2= 823 K) starting from sodium or potassium azide, dicyandiamide and strontium or Eu(NH2)2, respectively. The crystal structures were solved and refined from single‐crystal X‐ray diffraction data [K4.16Sr0.84(CN2)2.84(HCN2)0.16: space groupIm3m(no. 229),a= 7.8304(5) Å,Z= 2,R1= 0.024,wR2= 0.052; K4.40Eu0.60(CN2)2.60(HCN2)0.40: space groupIm3m(no. 229),a= 7.8502(6) Å,Z= 2,R1= 0.022,wR2= 0.049]. In contrast to the potassium carbodiimides, the sodium‐strontium carbodiimide was only synthesized as microcrystalline powder. The crystal structure was determined by powder X‐ray diffraction and refined by the Rietveld method [Na4.32Sr0.68(CN2)2.68(HCN2)0.32: space groupIm3m(no. 229),a= 7.2412(1) Å,Z= 2,Rwp= 0.050]. The presence of hydrogencyanamide units ([HNCN]–) next to carbodiimide units ([CN2]2–) in all compounds was confirmed by FT‐IR spectroscopy.
Exploring the Promotion of Synthons of Choice: Halogen Bonding in Molecular Lanthanide Complexes Characterized via X‐ray Diffraction, Luminescence Spectroscopy, and Magnetic Measurements
Authors: Carter Korey P. , Pope Simon J. A. , Kalaj Mark , Holmberg Rebecca J. , Murugesu Muralee , Cahill Christopher L.
Published: September 2017

Promotion of a synthon of choice for the non‐covalent assembly of lanthanide tectons represents both a noteworthy challenge and opportunity within LnIII hybrid materials. We have developed a system, wherein some control can be exercised over supramolecular assembly and, as part of continued efforts to improve this process we have generated a family of ten new lanthanide (Ln = Sm3+ – Lu3+) 2,4,6‐trichlorobenzoic acid‐1,10‐phenanthroline molecular complexes. Delineation of criteria for promoting assembly via halogen based interactions was introduced previously and is refined herein based on the characterization of complexes 1–10 via single‐crystal X‐ray diffraction. Direct comparison of means of supramolecular assembly for 1–10 with isostructural Ln‐p‐chlorobenzoic acid‐1,10‐phenanthroline analogues verifies that increasing the number of halogen atoms at the periphery of a tecton is one route that increases the frequency of halogen bonding interactions. Additionally, solid‐state visible and near‐IR photoluminescence and luminescent lifetime data were collected for complexes 1 (Sm3+), 2 (Eu3+), 4 (Tb3+), 5 (Dy3+), 6 (Ho3+), 7 (Er3+), and 9 (Yb3+) and characteristic emission was observed for all complexes except 6. Further, direct current magnetic susceptibility measurements were carried out for complexes 5 (Dy3+) and 7 (Er3+), and two slow magnetic relaxation processes were characterized using alternating current magnetic susceptibility measurements for 5.
Patients’ Opinions on Genetic Counseling on the Increased Risk of Parkinson Disease among Gaucher Disease Carriers
Authors: Mulhern Maureen , Bier Louise , Alcalay Roy N. , Balwani Manisha
Published: September 2017

Gaucher disease (GD) is an autosomal recessive disease caused by GBA mutations that is especially common in the Ashkenazi Jewish (AJ) population. The link between GBA mutations and Parkinson disease (PD), a later‐onset neurodegenerative condition, is well established, and studies have shown that GBA carriers have an increased lifetime risk of developing PD. Carrier screening for GD is frequently offered to couples during or prior to pregnancy, especially to those of AJ descent. However, no studies have been performed to assess if prospective parents would want to learn about their risk of developing PD incidentally through carrier screening. It is also unknown if pre‐test counseling on this topic would affect screening uptake. In order to answer these questions, a survey was administered to individuals who screened negative for GBA mutations. Of the 75 participants, 86.7% believed that patients should be informed about the increased risk of PD prior to having GD carrier screening, and 93.3% responded that this information would not have changed their decision to have carrier screening. These results indicate that healthcare providers should take into consideration patient preferences when determining how to counsel about GD carrier screening. Additionally, these results have implications for genetic counseling about other later‐onset conditions that may be incidentally ascertained through carrier screening.
Do new trainees pose a threat to the functional outcome of total knee arthroplasty? – The ‘January/July’ effect in a developing South Asian country: A retrospective cohort study
Authors: Malik Azeem Tariq , Ali Arif , Mufarrih Syed Hamza , Noordin Shahryar
Published: September 2017

Abstract

Introduction

Previous studies have shown that the introduction of new trainees/residents results in an increased morbidity and mortality for the hospital. With differences in induction times of residents across the world and majority of research coming from the US, we aim at studying whether the introduction of new orthopedic residents/trainees bode ill for patients undergoing a total knee arthroplasty (TKA) in a developing country.

Materials & Methods

Single center retrospective cohort study done from 2006 to 2015. Induction of new residents in Pakistan happens at the start of the year (January). A total of 673 patients who underwent a unilateral or bilateral TKA where included in study. Surgeries were divided into 4 quarters of the year and comparison was carried out between them. Binomial logistic regression analysis was also carried out for significant variables.

Results

Surgeries done during the first quarter (Jan–March) was not associated with a longer length of stay (LOS) [p = 0.651], a longer total operative time (TOT)[p = 0.471], a higher drop in hemoglobin (Hb)[p = 0.146] and postoperative complications. Surgeries done during the first quarter of the year are a significant independent predictor of postoperative cardiac complications [p = 0.02].

Conclusion

Based on our study, we found no evidence to support a hypothesis of new trainees/residents bringing about an increased intraoperative and postoperative morbidity. Further large multicenter database studies are required from the South Asian region to further study this effect.

Highlights
Clinical, Magnetic Resonance Imaging, and Arthroscopic Correlation in Anterior Cruciate Ligament and Meniscal Injuries of the Knee
Authors: Ishani Patel , Vijay Chandru , Supreeth Nekkanti , Ravishankar Renukarya , Vardhan Reddy Vishnu , Vanaja Gopalakrishna Sampathirao
Published: September 2017

Background

The aim of this study is to compare and correlate the clinical, magnetic resonance imaging (MRI), and arthroscopy findings in anterior cruciate ligament (ACL) and meniscal injuries of the knee.

Methods

This was a prospective study of 30 cases of ACL and meniscal injuries of the knee admitted between September 2014 and May 2016, who underwent clinical examination, MRI, and arthroscopy of the knee.

Results

In our study of 30 cases, there were 26 male and four female patients with age ranging from 18 years to 60 years, with most patients in between 21 years and 30 years. Clinical examination had sensitivity of 90.91%, specificity of 100%, and accuracy of 93.33% for ACL, sensitivity of 83.33%, specificity of 77.78%, and accuracy of 80% for medial meniscus, and sensitivity of 75%, specificity of 77.27%, and accuracy of 76.67% for lateral meniscus. MRI had sensitivity of 95.45%, specificity of 87.5%, and accuracy of 93.33% for ACL, sensitivity of 91.67%, specificity of 55.56%, and accuracy of 70% for medial meniscus, and sensitivity of 62.5%, specificity of 72.73%, and accuracy of 70% for lateral meniscus.

Conclusion

In conclusion, the present study supports that clinical diagnosis is of primary necessity, as the positive predictive value is high for all the lesions. MRI is an additional diagnosing tool for ligament and meniscal injuries of the knee. Routine use of MRI to confirm the diagnosis is not indicated, as the positive predictive value is low, but can be used to exclude pathology, as the negative predictive value is high for all the lesions.
Reporting Erectile Function Outcomes After Radiation Therapy for Prostate Cancer: Challenges in Data Interpretation
Authors: Wortel Ruud C. , Incrocci Luca , Mulhall John P.
Published: September 2017

Background

Choice of prostate cancer treatment is frequently influenced by the expected chance of treatment-induced side effects such as erectile dysfunction (ED). However, great discrepancy in cited ED rates exists in the contemporary radiation therapy literature.

Aim

To analyze the reported ED rates and cause of discrepancies and explore the strengths and limitations in the literature on radiation-induced ED.

Methods

We performed a PubMed literature search and reviewed the literature on ED rates associated with external-beam radiotherapy and brachytherapy from the past 10 years. Eighteen studies were eligible for inclusion and subsequently reviewed.

Outcomes

Variables required for interpretation of erectile function outcomes, including patient demographics, treatment characteristics, and sexual function outcomes.

Results

A large variety in the reported incidence of ED was found among studies. In part, these differences resulted from large variations in (i) study populations, (ii) patient characteristics, (iii) treatment characteristics, (iv) prescription of androgen deprivation therapy, (v) means of data acquisition, (vi) definitions of ED, (vii) temporal considerations, and (viii) erectile aid use. Relevant data required for adequate appraisal of sexual function outcomes were not always reported.

Clinical Implications

Based on the present findings, we present general recommendations for reporting of erectile function outcomes after radiotherapy for prostate cancer. These should improve future reports.

Strengths and Limitations

This is the first report that presents general requirements on reporting erectile function outcomes in the setting of radiotherapy for prostate cancer. We did not conduct a formal meta-analysis because we focused on concepts of research design; this might be considered a limitation.

Conclusion

In this review, we have highlighted the strengths and deficiencies of the current literature on ED after external-beam radiotherapy and brachytherapy for prostate cancer. We have made general recommendations to achieve some degree of standardization among reports and improve clinical interpretability.
International Islamic funds
Authors: Lesser Kathrin , Walkshäusl Christian
Published: September 2017

Internationally‐investing Islamic equity funds from developed Islamic and non‐Islamic markets perform in general similar to the market. However, analyzing different market conditions, we provide evidence that funds domiciled in Islamic markets outperform their peers and funds from non‐Islamic markets during market turmoil, irrespective of the applied performance measurement model. We suggest that this outperformance is owed to the expertise of fund managers from developed Islamic markets who operate in a financial environment that is driven by Islamic principles. Our results are robust with respect to the standard Fama‐French three‐factor and four‐factor models as well as to the novel five‐factor model.
The relationship between chronic musculoskeletal pain, anxiety and mindfulness: Adjustments to the Fear-Avoidance Model of Chronic Pain
Authors: Curtin Katherine B. , Norris Deborah
Published: September 2017

Background and purpose

The Fear-Avoidance Model of Chronic Pain proposed by Vlaeyen and Linton states individuals enter a cycle of chronic pain due to predisposing psychological factors, such as negative affectivity, negative appraisal or anxiety sensitivity. They do not, however, address the closely related concept of anxious rumination. Although Vlaeyen and Linton suggest cognitive-behavioral treatment methods for chronic pain patients who exhibit pain-related fear, they do not consider mindfulness treatments. This cross-sectional study investigated the relationship between chronic musculoskeletal pain (CMP), ruminative anxiety and mindfulness to determine if (1) ruminative anxiety is a risk factor for developing chronic pain and (2) mindfulness is a potential treatment for breaking the cycle of chronic pain.

Methods

Middle-aged adults ages 35-50 years (N = 201) with self-reported CMP were recruited online. Participants completed standardized questionnaires assessing elements of chronic pain, anxiety, and mindfulness.

Results

Ruminative anxiety was positively correlated with pain catastrophizing, pain-related fear and avoidance, pain interference, and pain severity but negatively correlated with mindfulness. High ruminative anxiety level predicted significantly higher elements of chronic pain and significantly lower level of mindfulness. Mindfulness significantly predicted variance (R
2) in chronic pain and anxiety outcomes. Pain severity, ruminative anxiety, pain catastrophizing, pain-related fear and avoidance, and mindfulness significantly predicted 70.0% of the variance in pain interference, with pain severity, ruminative anxiety and mindfulness being unique predictors.

Conclusions

The present study provides insight into the strength and direction of the relationships between ruminative anxiety, mindfulness and chronic pain in a CMP population, demonstrating the unique associations between specific mindfulness factors and chronic pain elements.

Implications

It is possible that ruminative anxiety and mindfulness should be added into the Fear-Avoidance Model of Chronic Pain, with ruminative anxiety as a psychological vulnerability and mindfulness as an effective treatment strategy that breaks the cycle of chronic pain. This updated Fear-Avoidance Model should be explored further to determine the specific mechanism of mindfulness on chronic pain and anxiety and which of the five facets of mindfulness are most important to clinical improvements. This could help clinicians develop individualized mindfulness treatment plans for chronic pain patients.
Diffusion-driven nucleation from surface nuclei in hydrodynamic cavitation
Authors: Groß T. F. , Pelz P. F.
Published: September 2017

Investigations about the role of nuclei and nucleation for the inception and formation of cavitation have been part of cavitation research since Harvey et al. (J. Cell. Physiol., vol. 24 (1), 1944, pp. 1–22) postulated the existence of gas filled crevices on surfaces and particles in liquids. In a supersaturated liquid, surface nuclei produce small gas bubbles due to mass transfer of gas or themselves work as weak spots in the liquid that are necessary for a phase change under technically relevant static pressures. Although various theories and models about nuclei and nucleation have found their way into standard literature, there is a lack of experimentally validated theories that describe the process of diffusion-driven nucleation in hydrodynamic cavitation. In order to close this gap we give new theoretical insights into the physics of this nucleation mechanism at technically relevant low supersaturations validated with extensive experimental results. The nucleation rate, the number of produced bubbles per second, is proportional to the supersaturation of the liquid and shows a nonlinear dependence on the shear rate at the surface nucleus. A model for the Strouhal number as dimensionless nucleation rate is derived allowing the estimation of nucleation rates from surface nuclei in hydrodynamic cavitation. The model provides three asymptotes, being a function of Péclet number, Weber number, the supersaturation of the liquid$\unicode[STIX]{x1D701}$and gas solubility$\unicode[STIX]{x1D6EC}$for three different detachment mechanisms,$Sr\propto \unicode[STIX]{x1D701}\unicode[STIX]{x1D6EC}We^{n}Pe^{1/3}$with$n=1/3,3/4,1$. The theoretical findings are in good agreement with experimental results, leading to a new assessment of the role of diffusion in cavitating flows.
Failed Legacies of Colonial Linguistics: Lessons from Tamil Books in French India and French Guiana
Authors: Das Sonia N.
Published: September 2017

The archives of French India and French Guiana, two colonies that were failing by the mid-nineteenth century, elucidate the legacy of colonial linguistics by drawing attention to the ideological and technological natures of colonial printing and the far-reaching and longstanding consequences of the European objectification of Indian vernaculars. Torn between religious, commercial, and imperialist agendas, the French in India both promoted Catholicism and advanced the scientific study of Tamil, the majority language spoken in the colonial headquarters of Pondicherry. There, a little known press operated by the Paris Foreign Missions shipped seventy-one dictionaries, grammars, and theological works printed in Tamil and French to Catholic schools undergoing secularization in French Guiana, a colony with several thousand Tamil indentured laborers. I analyze the books’ lexical, orthographic, and typographical forms, metalinguistic commentaries, publicity tactics, citational practices, and circulation histories by drawing on seldom-discussed materials from the Archives nationales d'outre-mer in Aix-en-Provence, France. I propose a theoretical framework to investigate how technology intersects with the historical relationship between language and colonialism, and argue that printing rivalries contributed to Orientalist knowledge production by institutionalizing semiotic and language ideologies about the nature of “perfectible” and “erroneous” signs. My comparative approach highlights the interdiscursive features of different genres and historical periods of Tamil documentation, and underscores how texts that emerged out of disparate religious and scientific movements questioned the veracity of knowledge and fidelity of sources. Such metalinguistic labor exposed the evolving stances of French Indologists toward Dravidian and Indo-Aryan linguistics and promoted religious and secular interests in educational and immigration policies.
Dinge und Körper als Medien?
Authors: Arens Frank
Published: September 2017

Zusammenfassung. Angeregt durch das Forschungsprojekt ’Pflege der Dinge’ (Artner et al., 2016) erörtert der vorliegende Beitrag die These, dass Dinge und Körper als Medien zur Herstellung sozio-materialer Praxis in einer Pflegedidaktik des fachpraktischen Unterrichts und der Praxisbegleitung eine herausgehobene Stellung einzunehmen haben.
Tablet-Computer als Medium in der Pflegepädagogik
Authors: Sattler Andrea
Published: September 2017

Zusammenfassung. Die Pädagogik bietet eine Vielzahl unterschiedlichster Medien, um den Schülern Lerninhalte näher zu bringen. Zu den alt bewährten Instrumenten kommen in Folge des technischen Fortschritts immer neue Lernhilfen hinzu. Der Tablet-PC scheint dabei eines der aktuellsten Errungenschaften in den Schulen zu sein.
Entwicklung eines Nationalen Mustercurriculums „Kommunikative Kompetenz in der Pflege“
Authors: Darmann-Finck Ingrid , Muths Sabine , Partsch Sebastian
Published: September 2017

Zusammenfassung. In einem vom Bundesministerium für Gesundheit finanzierten Projekt wird ein Mustercurriculum zur Förderung der kommunikativen Kompetenzen in der Pflegeausbildung entwickelt. Im vorliegenden Beitrag werden zunächst die vorbereitenden Erarbeitungsschritte und ausgewählte Analyseergebnisse für einen empirisch und theoretisch fundierten Begründungsrahmen des Mustercurriculums zusammengefasst. Im Anschluss wird der gegenwärtige Stand des Mustercurriculums, nämlich das inzwischen vorliegende Rahmencurriculum, vorgestellt und an Beispielen erläutert.
Angst in der Praxisbegleitung
Authors: Arens Frank , Kleyer Anne
Published: September 2017

Zusammenfassung. Die Lernenden in Pflegeberufen erleben die Praxisbegleitung ambivalent: einerseits wird ein mehr an Praxisbegleitung von den Lernenden gewünscht (Schramm, 2015), andererseits gibt es Hinweise, dass die Begleitung durch Lehrende bei den Lernenden mit Belastungen und Gefühlen von Unsicherheit verbunden sein kann (Schladitz, 2010; Umbescheidt, 2013). Sie wird als eine Bewertungs- und Prüfungssituation angesehen und löst negative Emotionen und Ängste aus, die sich auf die Leistungen und den Ausbildungsverlauf auswirken können (Haverkamp, 2015).
Fehlende Standards in der Pflegelehrerbildung
Authors: Bögemann-Großheim Ellen , Wesselborg Bärbel
Published: September 2017

Zusammenfassung. Die geforderten Voraussetzungen zur hauptamtlichen Lehrtätigkeit an Gesundheits- und Krankenpflegeschulen zeichnet sich deutschlandweit durch eine große Heterogenität aus. Neben Unterschieden, die sich aus den verschiedenen ministeriellen Zuständigkeiten der Bundesländer ergeben, ist ebenfalls die Breite der unterschiedlichen Vorgaben der Behörden bemerkenswert.
Tyrosine dephosphorylated cortactin downregulates contractility at the epithelial zonula adherens through SRGAP1
Authors: Liang Xuan , Budnar Srikanth , Gupta Shafali , Verma Suzie , Han Siew-Ping , Hill Michelle M. , Daly Roger J. , Parton Robert G. , Hamilton Nicholas A. , Gomez Guillermo A. , Yap Alpha S.
Published: September 2017

Contractile adherens junctions support cell−cell adhesion, epithelial integrity, and morphogenesis. Much effort has been devoted to understanding how contractility is established; however, less is known about whether contractility can be actively downregulated at junctions nor what function this might serve. We now identify such an inhibitory pathway that is mediated by the cytoskeletal scaffold, cortactin. Mutations of cortactin that prevent its tyrosine phosphorylation downregulate RhoA signaling and compromise the ability of epithelial cells to generate a contractile zonula adherens. This is mediated by the RhoA antagonist, SRGAP1. We further demonstrate that this mechanism is co-opted by hepatocyte growth factor to promote junctional relaxation and motility in epithelial collectives. Together, our findings identify a novel function of cortactin as a regulator of RhoA signaling that can be utilized by morphogenetic regulators for the active downregulation of junctional contractility.
Unraveling the orientation of phosphors doped in organic semiconducting layers
Authors: Moon Chang-Ki , Kim Kwon-Hyeon , Kim Jang-Joo
Published: September 2017

Emitting dipole orientation is an important issue of emitting materials in organic light-emitting diodes for an increase of outcoupling efficiency of light. The origin of preferred orientation of emitting dipole of iridium-based heteroleptic phosphorescent dyes doped in organic layers is revealed by simulation of vacuum deposition using molecular dynamics along with quantum mechanical characterization of the phosphors. Consideration of both the electronic transitions in a molecular frame and the orientation of the molecules at the vacuum/molecular film interface allows quantitative analyses of the emitting dipole orientation depending on host molecules and dopant structures. Interactions between the phosphor and nearest host molecules on the surface, minimizing the non-bonded van der Waals and electrostatic interaction energies determines the molecular alignment during the vacuum deposition. Parallel alignment of the main cyclometalating ligands in the molecular complex due to host interactions rather than the ancillary ligand orienting to vacuum leads to the horizontal emitting dipole orientation.
Precise engineering of quantum dot array coupling through their barrier widths
Authors: Piquero-Zulaica Ignacio , Lobo-Checa Jorge , Sadeghi Ali , El-Fattah Zakaria M. Abd , Mitsui Chikahiko , Okamoto Toshihiro , Pawlak Rémy , Meier Tobias , Arnau Andrés , Ortega J. Enrique , Takeya Jun , Goedecker Stefan , Meyer Ernst , Kawai Shigeki
Published: September 2017

Quantum dots are known to confine electrons within their structure. Whenever they periodically aggregate into arrays and cooperative interactions arise, novel quantum properties suitable for technological applications show up. Control over the potential barriers existing between neighboring quantum dots is therefore essential to alter their mutual crosstalk. Here we show that precise engineering of the barrier width can be experimentally achieved on surfaces by a single atom substitution in a haloaromatic compound, which in turn tunes the confinement properties through the degree of quantum dot intercoupling. We achieved this by generating self-assembled molecular nanoporous networks that confine the two-dimensional electron gas present at the surface. Indeed, these extended arrays form up on bulk surface and thin silver films alike, maintaining their overall interdot coupling. These findings pave the way to reach full control over two-dimensional electron gases by means of self-assembled molecular networks.
Frequent miRNA-convergent fusion gene events in breast cancer
Authors: Persson Helena , Søkilde Rolf , Häkkinen Jari , Pirona Anna Chiara , Vallon-Christersson Johan , Kvist Anders , Mertens Fredrik , Borg Åke , Mitelman Felix , Höglund Mattias , Rovira Carlos
Published: September 2017

Studies of fusion genes have mainly focused on the formation of fusions that result in the production of hybrid proteins or, alternatively, on promoter-switching events that put a gene under the control of aberrant signals. However, gene fusions may also disrupt the transcriptional control of genes that are encoded in introns downstream of the breakpoint. By ignoring structural constraints of the transcribed fusions, we highlight the importance of a largely unexplored function of fusion genes. Here, we show, using breast cancer as an example, that miRNA host genes are specifically enriched in fusion genes and that many different, low-frequency, 5ʹ partners may deregulate the same miRNA irrespective of the coding potential of the fusion transcript. These results indicate that the concept of recurrence, defined by the rate of functionally important aberrations, needs to be revised to encompass convergent fusions that affect a miRNA independently of transcript structure and protein-coding potential.
Predicting Causal Relationships from Biological Data: Applying Automated Causal Discovery on Mass Cytometry Data of Human Immune Cells
Authors: Triantafillou Sofia , Lagani Vincenzo , Heinze-Deml Christina , Schmidt Angelika , Tegner Jesper , Tsamardinos Ioannis
Published: September 2017

Learning the causal relationships that define a molecular system allows us to predict how the system will respond to different interventions. Distinguishing causality from mere association typically requires randomized experiments. Methods for automated  causal discovery from limited experiments exist, but have so far rarely been tested in systems biology applications. In this work, we apply state-of-the art causal discovery methods on a large collection of public mass cytometry data sets, measuring intra-cellular signaling proteins of the human immune system and their response to several perturbations. We show how different experimental conditions can be used to facilitate causal discovery, and apply two fundamental methods that produce context-specific causal predictions. Causal predictions were reproducible across independent data sets from two different studies, but often disagree with the KEGG pathway databases. Within this context, we discuss the caveats we need to overcome for automated causal discovery to become a part of the routine data analysis in systems biology.
Full hydrodynamic reversibility of the weak dimerization of vancomycin and elucidation of its interaction with VanS monomers at clinical concentration
Authors: Phillips-Jones Mary K. , Lithgo Ryan , Dinu Vlad , Gillis Richard B. , Harding John E. , Adams Gary G. , Harding Stephen E.
Published: September 2017

The reversibility and strength of the previously established dimerization of the important glycopeptide antibiotic vancomycin in four different aqueous solvents (including a medically-used formulation) have been studied using short-column sedimentation equilibrium in the analytical ultracentrifuge and model-independent SEDFIT-MSTAR analysis across a range of loading concentrations. The change in the weight average molar mass Mw with loading concentration was consistent with a monomer-dimer equilibrium. Overlap of data sets of point weight average molar masses Mw(r) versus local concentration c(r) for different loading concentrations demonstrated a completely reversible equilibrium process. At the clinical infusion concentration of 5 mg.mL−1 all glycopeptide is dimerized whilst at 19 µg.mL−1 (a clinical target trough serum concentration), vancomycin was mainly monomeric (<20% dimerized). Analysis of the variation of Mw with loading concentration revealed dissociation constants in the range 25-75 μM, commensurate with a relatively weak association. The effect of two-fold vancomycin (19 µg.mL−1) appears to have no effect on the monomeric enterococcal VanS kinase involved in glycopeptide resistance regulation. Therefore, the 30% increase in sedimentation coefficient of VanS on adding vancomycin observed previously is more likely to be due to a ligand-induced conformational change of VanS to a more compact form rather than a ligand-induced dimerization.
Transformation of ACC into aragonite and the origin of the nanogranular structure of nacre
Authors: Macías-Sánchez Elena , Willinger Marc G. , Pina Carlos M. , Checa Antonio G.
Published: September 2017

Currently a basic tenet in biomineralization is that biominerals grow by accretion of amorphous particles, which are later transformed into the corresponding mineral phase. The globular nanostructure of most biominerals is taken as evidence of this. Nevertheless, little is known as to how the amorphous-to-crystalline transformation takes place. To gain insight into this process, we have made a high-resolution study (by means of transmission electron microscopy and other associated techniques) of immature tablets of nacre of the gastropod Phorcus turbinatus, where the proportion of amorphous calcium carbonate is high. Tablets displayed a characteristic nanoglobular structure, with the nanoglobules consisting of an aragonite core surrounded by amorphous calcium carbonate together with organic macromolecules. The changes in composition from the amorphous to the crystalline phase indicate that there was a higher content of organic molecules within the former phase. Within single tablets, the crystalline cores were largely co-oriented. According to their outlines, the internal transformation front of the tablets took on a complex digitiform shape, with the individual fingers constituting the crystalline cores of nanogranules. We propose that the final nanogranular structure observed is produced during the transformation of ACC into aragonite.
SHP2 Regulates the Osteogenic Fate of Growth Plate Hypertrophic Chondrocytes
Authors: Wang Lijun , Huang Jiahui , Moore Douglas C. , Zuo Chunlin , Wu Qian , Xie Liqin , von der Mark Klaus , Yuan Xin , Chen Di , Warman Matthew L. , Ehrlich Michael G. , Yang Wentian
Published: September 2017

Transdifferentiation of hypertrophic chondrocytes into bone-forming osteoblasts has been reported, yet the underlying molecular mechanism remains incompletely understood. SHP2 is an ubiquitously expressed cytoplasmic protein tyrosine phosphatase. SHP2 loss-of-function mutations in chondroid cells are linked to metachondromatosis in humans and mice, suggesting a crucial role for SHP2 in the skeleton. However, the specific role of SHP2 in skeletal cells has not been elucidated. To approach this question, we ablated SHP2 in collagen 2α1(Col2α1)-Cre- and collagen 10α1(Col10α1)-Cre-expressing cells, predominantly proliferating and hypertrophic chondrocytes, using “Cre-loxP”-mediated gene excision. Mice lacking SHP2 in Col2α1-Cre-expressing cells die at mid-gestation. Postnatal SHP2 ablation in the same cell population caused dwarfism, chondrodysplasia and exostoses. In contrast, mice in which SHP2 was ablated in the Col10α1-Cre-expressing cells appeared normal but were osteopenic. Further mechanistic studies revealed that SHP2 exerted its influence partly by regulating the abundance of SOX9 in chondrocytes. Elevated and sustained SOX9 in SHP2-deficient hypertrophic chondrocytes impaired their differentiation to osteoblasts and impaired endochondral ossification. Our study uncovered an important role of SHP2 in bone development and cartilage homeostasis by influencing the osteogenic differentiation of hypertrophic chondrocytes and provided insight into the pathogenesis and potential treatment of skeletal diseases, such as osteopenia and osteoporosis.
Enhanced unbiased sampling of protein dynamics using evolutionary coupling information
Authors: Shamsi Zahra , Moffett Alexander S. , Shukla Diwakar
Published: September 2017

One of the major challenges in atomistic simulations of proteins is efficient sampling of pathways associated with rare conformational transitions. Recent developments in statistical methods for computation of direct evolutionary couplings between amino acids within and across polypeptide chains have allowed for inference of native residue contacts, informing accurate prediction of protein folds and multimeric structures. In this study, we assess the use of distances between evolutionarily coupled residues as natural choices for reaction coordinates which can be incorporated into Markov state model-based adaptive sampling schemes and potentially used to predict not only functional conformations but also pathways of conformational change, protein folding, and protein-protein association. We demonstrate the utility of evolutionary couplings in sampling and predicting activation pathways of the β2-adrenergic receptor (β2-AR), folding of the FiP35 WW domain, and dimerization of the E. coli molybdopterin synthase subunits. We find that the time required for β2-AR activation and folding of the WW domain are greatly diminished using evolutionary couplings-guided adaptive sampling. Additionally, we were able to identify putative molybdopterin synthase association pathways and near-crystal structure complexes from protein-protein association simulations.
Atrial fibrillation and the risk of myocardial infarction: a nation-wide propensity-matched study
Authors: Lee Hye Young , Yang Pil-Sung , Kim Tae-Hoon , Uhm Jae-Sun , Pak Hui-Nam , Lee Moon-Hyoung , Joung Boyoung
Published: September 2017

In addition to being an established complicating factor for myocardial infarction (MI), recent studies have revealed that atrial fibrillation (AF) increased risk of MI. This study is to evaluate the risk of MI associated with AF in a nationwide population based cohort. We examine the association between AF and incident MI in 497,366 adults from the Korean National Health Insurance Service database, who were free of AF and MI at baseline. AF group (n = 3,295) was compared with propensity matched no-AF group (n = 13,159). Over 4.2 years of follow up, 137 MI events occurred. AF was associated with 3-fold increased risk of MI (HR, 3.1; 95% CI, 2.22–4.37) in both men (HR, 2.91; 95% CI 1.91–4.45) and women (HR, 3.52; 95% CI 2.01–6.17). The risk of AF-associated MI was higher in patients free of hypertension, diabetes, ischemic stroke, and dyslipidemia at baseline. The cumulative incidence of AF-associated MI was lower in patients on anticoagulant and statin therapies. Our finding suggests that AF complications beyond stoke should extend to total mortality to include MI.
A method for mapping and quantifying whole organ diffusion-weighted image distortion in MR imaging of the prostate
Authors: Gill Andrew B. , Czarniecki Marcin , Gallagher Ferdia A. , Barrett Tristan
Published: September 2017

A computational algorithm was designed to produce a measure of DW image distortion across the prostate. This algorithm was tested and validated on virtual phantoms incorporating known degrees and distributions of distortion. A study was then carried out on DW image volumes from three sets of 10 patients who had been imaged previously. These volumes had been radiologically assessed to have, respectively, ‘no distortion’ or ‘significant distortion’ or the potential for ‘significant distortion’ due to susceptibility effects from hip prostheses. Prostate outlines were drawn on a T2-weighted (T2W) image ‘gold-standard’ volume and on an ADC image volume derived from DW images acquired over the same region. The algorithm was then applied to these outlines to quantify and map image distortion. The proposed method correctly reproduced known distortion values and distributions in virtual phantoms. It also successfully distinguished between the three groups of patients: mean distortion in ‘non-distorted’ image volumes, 1.942 ± 0.582 mm; ‘distorted’, 4.402 ± 1.098 mm; and ‘hip patients’ 8.083 ± 4.653 mm; P < 0.001. This work has demonstrated and validated a means of quantifying and mapping image distortion in clinical prostate MRI cases.
Debranchase-resistant labeling of RNA using the 10DM24 deoxyribozyme and fluorescent modified nucleotides
Authors: Carrocci Tucker J. , Lohe Lea , Ashton Matthew J. , Höbartner Claudia , Hoskins Aaron A.
Published: September 2017

The 10DM24 deoxyribozyme can site-specifically label RNAs with fluorophore-GTP conjugates. The phosphorothioate modification prevents enzymatic cleavage of the 2′,5′-branched RNA.
Size-controlled synthesis of Au nanorings on Pd ultrathin nanoplates as efficient catalysts for hydrogenation
Authors: Han Yu , Wang Wenxing , Jiang Penglin , Yan Yucong , Zhang Hui , Yang Deren
Published: September 2017

Small Au nanorings were synthesized by a seed-mediated growth on Pd nanoplates in the presence of Ag+ ions and exhibited substantially enhanced catalytic activities for hydrogenation.
Thermoelectric properties of Se and Zn/Cd/Sn double substituted Co4Sb12 skutterudite compounds
Authors: N. Karthikeyan , Ghanta Sivaprasad , G. Jaiganesh , V. Anbarasu , Pratim Jana Partha , K. Sivakumar
Published: September 2017

High peak ZT of ∼0.7 and ∼0.65 at 673 K is obtained for Co4Sb11.86Se0.1Zn0.04 and Co4Sb11.86Se0.1Sn0.04 compounds which shows more than 50% enhancement relative to the pristine Co4Sb12 system.
Privileged hydration sites in aromatic side chains: effect on conformational equilibrium
Authors: Hernández Belén , Pflüger Fernando , Dauchez Manuel , Ghomi Mahmoud
Published: September 2017

The most energetically favourable hydration sites of aromatic (Phe, Tyr, Trp and His) side chains revealed by DFT-based theoretical calculations.
Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects
Authors: Mai Sebastian , Gattuso Hugo , Fumanal Maria , Muñoz-Losa Aurora , Monari Antonio , Daniel Chantal , González Leticia
Published: September 2017

Absorption spectra of [Re(CO)3(imidazole)(phenanthroline)]+ were computed using TD-DFT with QM/MM, frozen-density embedding, and implicit solvation models.
Further insight into the electrocatalytic water oxidation by macrocyclic nickel(ii) complexes: the influence of steric effect on catalytic activity
Authors: Wang Jia-Wei , Hou Cheng , Huang Hai-Hua , Liu Wen-Ju , Ke Zhuo-Feng , Lu Tong-Bu
Published: September 2017

Macrocyclic nickel(ii) complexes with axially oriented methyl groups can impose a steric effect on the axial position of the in situ formed NiIII center, which results in higher NiIII/II oxidation potentials and suppresses the axial coordination of phosphate anions with the NiIII center.
Alleviation of oxidative stress-mediated nephropathy by dietary fenugreek (Trigonella foenum-graecum) seeds and onion (Allium cepa) in streptozotocin-induced diabetic rats
Authors: Pradeep Seetur R. , Srinivasan Krishnapura
Published: September 2017

Fenugreek seeds and onion ameliorated oxidative stress in the kidneys accompanying diabetes mellitus and the consequent nephropathy. Higher nutraceutical benefits were seen with the combination of these two, amounting to an additive effect.
Hybrid deterministic/stochastic simulation of complex biochemical systems
Authors: Lecca Paola , Bagagiolo Fabio , Scarpa Marina
Published: September 2017

MoBioS simulates stochastic/deterministic hybrid models of biochemical systems. It implements a novel efficient hysteresis switching between the two regimes.
Fluorescent phenanthroimidazoles functionalized with heterocyclic spacers: synthesis, optical chemosensory ability and two-photon absorption (TPA) properties
Authors: Ferreira Rosa Cristina M. , Costa Susana P. G. , Gonçalves Hugo , Belsley Michael , Raposo Maria Manuela M.
Published: September 2017

Fluorescent phenanthroimidazoles bearing heterocyclic spacers as novel optical chemosensors and two-photon absorption chromophores.
Difference in hot carrier cooling rate between Langmuir–Blodgett and drop cast PbS QD films due to strong electron–phonon coupling
Authors: Cao Wenkai , Yuan Lin , Patterson Rob , Wen Xiaoming , Tapping Patrick C. , Kee Tak , Veetil Binesh Puthen , Zhang Pengfei , Zhang Zewen , Zhang Qiuyang , Reece Peter , Bremner Stephen , Shrestha Santosh , Conibeer Gavin , Huang Shujuan
Published: September 2017

The carrier dynamics of lead sulphide quantum dot (PbS QD) drop cast films and closely packed ordered Langmuir–Blodgett films are studied with ultra-fast femtosecond transient absorption spectroscopy.
Preparation and RGB upconversion optic properties of transparent anti-counterfeiting films
Authors: Yao Weijing , Tian Qingyong , Liu Jun , Xue Qingwen , Li Mengxiao , Liu Li , Lu Qiang , Wu Wei
Published: September 2017

A series of anti-counterfeiting labels based on RGB upconversion inks was designed for the die-cutting packages, suggesting a highly advanced security effect for the package anti-counterfeiting application.
Unprecedented 22,26-seco physalins from Physalis angulata and their anti-inflammatory potential
Authors: Sun Cheng-Peng , Oppong Mahmood Brobbey , Zhao Feng , Chen Li-Xia , Qiu Feng
Published: September 2017

Aromaphysalin B (2), as a first 11,15-cyclo-9(10),14(17),22(26)-triseco physalin with an unprecedented aromatic ring, was isolated from Physalis angulata.
Stereoselective synthesis of 17,18-epoxy derivative of EPA and stereoisomers of isoleukotoxin diol by ring opening of TMS-substituted epoxide with dimsyl sodium
Authors: Nanba Yutaro , Shinohara Riku , Morita Masao , Kobayashi Yuichi
Published: September 2017

The title three compounds were synthesized using the reaction of TMS-substituted epoxides with dimsyl sodium to produce 1-alkene-3,4-diol derivatives.
Multiparameter investigation of bulk heterojunction organic photovoltaics
Authors: Musumeci Chiara , Borgani Riccardo , Bergqvist Jonas , Inganäs Olle , Haviland David
Published: September 2017

Correlative mapping of morphological, electrical and mechanical properties at the nanoscale allows for a detailed characterization of local structure–property relationships in bulk heterojunctions.
Brain region-specific metabolite networks regulate antidepressant effects of venlafaxine
Authors: Bai Shunjie , Hu Qingchuan , Chen Zhi , Liang Zihong , Wang Wei , Shen Peng , Wang Ting , Wang Haiyang , Xie Peng
Published: September 2017

Administration of venlafaxine significantly altered the metabolic profiles of both the hippocampus and prefrontal cortex and the altered metabolites had significant brain region specificities.
Intracellular antioxidant effect of vanillin, 4-methylguaiacol and 4-ethylguaiacol: three components in Chinese Baijiu
Authors: Zhao Dongrui , Sun Jinyuan , Sun Baoguo , Zhao Mouming , Zheng Fuping , Huang Mingquan , Sun Xiaotao , Li Hehe
Published: September 2017

Vanillin, 4-methylguaiacol, and 4-ethylguaiacol can improve AAPH-induced alterations in oxidative stress biomarkers and antioxidant enzymes in HepG2 cells.
Regulation of coin metal substituents and cooperativity on the strength and nature of tetrel bonds
Authors: Wei Yuanxin , Cheng Jianbo , Li Wenzuo , Li Qingzhong
Published: September 2017

Ab initiocalculations have been performed for the tetrel-bonded dyad MCN⋯TF4(M = Cu, Ag, and Au; T = C, Si, Ge, and Sn) and C2H4…MCN…TF4and C2(CN)4…MCN…TF4.
Synthetic upcycling of polyacrylates through organocatalyzed post-polymerization modification
Authors: Easterling Charles P. , Kubo Tomohiro , Orr Zachary M. , Fanucci Gail E. , Sumerlin Brent S.
Published: September 2017

A new method for converting commodity polymeric materials into value-added specialty materials was developed via site-selective and chemoselective transesterification of block copolymers, statistical copolymers, and homopolymers.
New ultra-violet and near-infrared blocking filters for energy saving applications: fabrication of tantalum metal atom cluster-based nanocomposite thin films by electrophoretic deposition
Authors: Nguyen Thi Kim Ngan , Renaud Adèle , Wilmet Maxence , Dumait Noée , Paofai Serge , Dierre Benjamin , Chen Wanghui , Ohashi Naoki , Cordier Stéphane , Grasset Fabien , Uchikoshi Tetsuo
Published: September 2017

First fabrication of a Ta6-based nanocomposite coating, for energy saving applications, by an EPD solution process.
Engineering the excited-state properties of purely organic intramolecular and intermolecular charge transfer emitters towards high-performance fluorescent OLEDs
Authors: Chen Dongcheng , Liu Kunkun , Li Xianglong , Li Binbin , Liu Ming , Cai Xinyi , Ma Yuguang , Cao Yong , Su Shi-Jian
Published: September 2017

Purely organic intra- and inter-molecular charge transfer emitters are comparatively studied to show how to develop high-performance OLEDs through tailoring their excited-state properties.