bluuebunny/crossref_metadata_2025 huggingface dataset:
Use of blood pool agents with steady‐state MRI to assess the vascular system
Authors: Thakor Avnesh S. , Chung John , Patel Premal , Chan Anthony , Ahmed Amdad , McNeil Graeme , Liu David M. , Forster Bruce , Klass Darren
Published: April 2017

Over the past two decades there have been significant advances in the use of magnetic resonance imaging (MRI) to assess the vascular system. New imaging sequences and improvements in magnet design have enabled the creation of higher spatial resolution images. MRI is now a viable alternative imaging modality when compared to both invasive angiography and computed tomographic angiography. The use of blood pool agents has further facilitated the use of MR angiography (MRA); their high molecular weight allows for lower doses of contrast medium administration while their prolonged presence in the blood stream allows for repeated high‐quality volumetric imaging of both the arterial and venous circulation. As such, MRA is now no longer constrained by the tight windows for first‐pass arterial and venous enhancement, which has resulted in the ability to assess and diagnose a large range of vascular pathologies in both arterial and venous systems. The intent of this review is to highlight MRI findings in common vascular pathologies including peripheral arterial disease (PAD), abnormalities of the abdominal aortic branches, postendovascular aortic aneurysm repair (EVAR) endoleak assessment, popliteal artery entrapment syndrome (PAES), deep venous thrombosis (DVT), vascular thoracic outlet syndrome (TOS), and vascular malformations. In addition, the latest MRI techniques currently used to optimally assess each of these pathologies will be discussed.

Level of Evidence: 5

Technical Efficacy: Stage 3

J. MAGN. RESON. IMAGING 2017;45:1559–1572
Negativization of viremia prior to liver transplant reduces early allograft dysfunction in hepatitis C–positive recipients
Authors: Martini Silvia , Tandoi Francesco , Terzi di Bergamo Lodovico , Strona Silvia , Lavezzo Bruna , Sacco Marco , Maione Francesca , Gonella Federica , Strignano Paolo , Dell Olio Dominic , Salizzoni Mauro , Saracco Giorgio Maria , Romagnoli Renato
Published: April 2017

Although early allograft dysfunction (EAD) negatively impacts survival from the first months following liver transplantation (LT), direct‐acting antiviral agents (DAAs) have revolutionized hepatitis C virus (HCV) therapy. We investigated the EAD definition best predicting 90‐day graft loss and identified EAD risk factors in HCV‐positive recipients. From November 2002 to June 2016, 603 HCV‐positive patients (hepatocellular carcinoma, 53.4%) underwent a first LT with HCV‐negative donors. The median recipient Model for End‐Stage Liver Disease (MELD) score was 15, and the median donor age was 63 years. At LT, 77 (12.8%) patients were HCV RNA negative; negativization was achieved and maintained by pre‐LT antiviral therapy (61 patients) or pre‐LT plus a pre‐emptive post‐LT course (16 patients); 60 (77.9%) patients received DAAs and 17 (22.1%) interferon. We compared 3 different EAD definitions: (1) bilirubin ≥ 10 mg/dL or international normalized ratio ≥ 1.6 on day 7 after LT or aspartate aminotransferase or alanine aminotransferase > 2000 IU/L within 7 days of LT; (2) bilirubin > 10 mg/dL on days 2‐7 after LT; and (3) MELD ≥ 19 on day 5 after LT. EAD defined by MELD ≥ 19 on day 5 after LT had the lowest negative (0.1) and the highest positive (1.9) likelihood ratio to predict 90‐day graft loss. At 90 days after LT, 9.2% of recipients with EAD lost their graft as opposed to 0.7% of those without EAD (P < 0.001). At multivariate analysis, considering variables available at LT, MELD at LT of >25 (OR = 7.4) or 15‐25 (OR = 3.2), graft macrovesicular steatosis ≥ 30% (OR = 6.7), HCV RNA positive at LT (OR = 2.7), donor age > 70 years (OR = 2.0), earlier LT era (OR = 1.8), and cold ischemia time ≥ 8 hours (OR = 1.8) were significant risk factors for EAD. In conclusion, in HCV‐positive patients, MELD ≥ 19 on day 5 after LT best predicts 90‐day graft loss. Preventing graft infection by pre‐/peri‐LT antiviral therapy reduces EAD incidence and could be most beneficial in high‐MELD patients and recipients of suboptimal grafts. Liver Transplantation 23 915–924 2017 AASLD.
Vinylic Rotaxane Cross‐Linker Comprising Different Axle Length for the Characterization of Rotaxane Cross‐linked Polymers
Authors: Sawada Jun , Aoki Daisuke , Takata Toshikazu
Published: April 2017

The [2]rotaxane cross‐linkers (RCs) comprising vinyl group‐terminated axle component having different axle lengths and vinyl group‐containing crown ether were synthesized, and applied to prepare the corresponding rotaxane cross‐linked polymers (RCPs). The preparations of RCP were performed by the radical polymerizations of n‐butyl acrylate in the presence of 0.5 mol% of RCs. Properties of the RCPs were evaluated by swelling ratio, clearly demonstrating that axle length of RC affects swelling ratio of RCPs.
Polymer Networks From Nanosized Functional Precursors
Authors: Dušek Karel , Dušková‐Smrčková Miroslava
Published: April 2017

The majority of cross‐linked systems of practical importance are manufactured from pre‐prepared precursors which are characterized by distributions in the type and number of functional groups and molecular weights. For understanding of the effects of these distributions on network formation and properties and designing new systems, a theoretical insight is necessary that takes these distributions into account. The article lists some examples where the theoretical insight has helped optimize the cross‐linking process and application properties.
Note: Multiphase thermoplastic hybrid for controlled release of antimicrobial essential oils in active packaging film
Authors: Moshe Itan , Weizman Orli , Natan Michal , Jacobi Gila , Banin Ehud , Dotan Ana , Ophir Amos
Published: April 2017

The article from this special issue was previously published in Polymers for Advanced Technologies, Volume 27, Issue 11, 2016. For completeness we are including the title page of the article below. The full text of the article can be read in Issue 27:11 on Wiley Online Library: http://onlinelibrary.wiley.com/doi/10.1002/pat.3817/full
Note: Design of novel plasticizers for nylon: from molecular modeling to experimental verification
Authors: Alperstein David , Knani Dafna
Published: April 2017

The article from this special issue was previously published in Polymers for Advanced Technologies, Volume 28, Issue 1, 2017. For completeness we are including the title page of the article below. The full text of the article can be read in Issue 28:1 on Wiley Online Library: http://onlinelibrary.wiley.com/doi/10.1002/pat.3856/full
Benchmarking photoactive thin‐film materials using a laser‐induced steady‐state photocarrier grating
Authors: Veldhuizen Leon W. , Adhyaksa Gede W.P. , Theelen Mirjam , Garnett Erik C. , Schropp Ruud E.I.
Published: April 2017

In this study, we assess the charge carrier diffusive transport quality of traditional and emerging thin‐film photoactive absorber materials used for photovoltaic applications. We use a steady‐state photocarrier grating technique, which has so far been predominantly used for amorphous silicon‐based materials, to obtain ambipolar diffusion lengths as well as minority and majority carrier mobility‐lifetime products. The measurements are performed at volume‐averaged generation rates of G = 1020–1021 cm−3 s−1 and low electric field strengths of E = 20–200 V cm−1. The absorbing capability of the materials is analysed by calculating an effective optical absorption depth, and we compare its value with the obtained electronic ambipolar diffusion length. The effective absorption depths are independent of the band‐gap values so that our assessment is also relevant for multijunction solar cells. We observe that for silicon‐based thin‐film materials, the ambipolar diffusion length (with a value lower than 150 nm) is more than twice as short as their effective absorption depth, while for copper indium gallium selenide chalcopyrite and halide perovskite materials, the diffusion length (with a value up to 367 nm) is similar or larger than the effective absorption depth. The presented method can be used as a rapid assessment of the optoelectronic quality of photoactive thin‐film materials. Copyright © 2017 John Wiley & Sons, Ltd.
Trends in low flows of German rivers since 1950: Comparability of different low‐flow indicators and their spatial patterns
Authors: Bormann H. , Pinter N.
Published: April 2017

Climate change, land‐use shifts, reservoir storage, and water withdrawals impact low flows in rivers, creating challenges for ecological integrity and human uses. A systematic investigation of river discharges was carried out for 79 stream gauges in Germany. Available time series between 1950 and 2013 were analysed for trends in annual minimum low flows, discharge deficits, and low‐flow durations. The application of different low‐flow indicators led to similar spatial patterns, although each metric is used for different purposes in water management applications.

Statistical tests identified significant discharge trends at more than half of the stations investigated. Low‐flow trends since 1950 tended to be catchment specific, suggesting that climate change has not been the dominant driver. Most of the gauges investigated showed statistically significant increases in low flows. This can be mainly attributed to reservoir management. For rivers showing snow‐ and icemelt‐dominated flow regimes, such trends are probably overlain by climate‐driven changes (increasing amounts of rainfall, earlier snowmelt in spring). In contrast, stations showing statistically significant decreases in low flows were correlated with areas of decreasing mining activity. Hydrologic impacts of climate change are widespread and significant, but the results here suggest that human river management remains the dominant hydrologic driver on many rivers.
Unsaturated surface in CO saturation
Authors: Li Jibiao , Ahuja Rajeev
Published: April 2017

In this paper, density functional theory calculations are used to address the puzzle of CO saturation on Fe(100). Through a comprehensive modeling of possible local configurations, we would be able to figure out a structural model for the CO‐saturated Fe(100). The structural model is featured by forming a local structural motif of coupled on‐top and hollow CO molecules. In this model, the on‐top‐bonded CO molecules pertain to critical couplings in the next neighbor spacing, which exclude all couplings below and above the next neighbor spacing. Rather than forming tilted on‐top CO on the surface, the critical couplings align the on‐top CO molecules in the perpendicular orientation. The new model with the coverage of 0.5 ML yields even better X‐ray emission and absorption spectra calculated by using density functional theory and shows consistent agreement with all previous experiments. Copyright © 2017 John Wiley & Sons, Ltd.
Bayesian exponential random graph modelling of interhospital patient referral networks
Authors: Caimo Alberto , Pallotti Francesca , Lomi Alessandro
Published: April 2017

Using original data that we have collected on referral relations between 110 hospitals serving a large regional community, we show how recently derived Bayesian exponential random graph models may be adopted to illuminate core empirical issues in research on relational coordination among healthcare organisations. We show how a rigorous Bayesian computation approach supports a fully probabilistic analytical framework that alleviates well‐known problems in the estimation of model parameters of exponential random graph models. We also show how the main structural features of interhospital patient referral networks that prior studies have described can be reproduced with accuracy by specifying the system of local dependencies that produce – but at the same time are induced by – decentralised collaborative arrangements between hospitals. Copyright © 2017 John Wiley & Sons, Ltd.
Palladium‐Catalyzed Selective Mono‐Chlorination of o‐Carboranes: Changing the Concept of FeCl3 from Lewis Acid to Chlorine Source in Carboranes
Authors: Xu Tao‐Tao , Zhang Cai‐Yan , Cao Ke , Wu Ji , Jiang Linhai , Li Jing , Li Bo , Yang Junxiao
Published: April 2017

A palladium catalyzed selective mono‐chlorination of o‐carboranes has been developed by utilization the oxidizability of FeCl3, and a series of mono‐chlorinated o‐carboranes with active groups have been synthesized with moderate to good yields as well as good selectivity. A plausible mechanism involving the electrophilic palladation of B‐H bond and the Pd(II)/Pd(IV) catalytic cycle was proposed.
Influence of Genetic Counseling Graduate Program Websites on Student Application Decisions
Authors: Ivan Kristina M. , Hassed Susan , Darden Alix G. , Aston Christopher E. , Guy Carrie
Published: April 2017

This study investigated how genetic counseling educational program websites affect application decisions via an online survey sent to current students and recent graduates. Program leadership: directors, assistant directors, associate directors, were also surveyed to determine where their opinions coincided or differed from those reported by students and recent graduates. Chi square analysis and t‐tests were used to determine significance of results. A two‐sample t‐test was used to compare factors students identified as important on a 5‐point Likert scale with those identified by directors. Thematic analysis revealed three major themes students consider important for program websites: easy navigation, website content, and website impression. Directors were interested in how prospective students use their program website and what information they found most useful. Students indicated there were specific programs they chose not to apply to due to the difficulty of using the website for that program. Directors significantly underestimated how important information about application requirements was to students in making application decisions. The information reported herein will help individual genetic counseling graduate programs improve website functionality and retain interested applicants.
Parenting in On/Off Relationships: The Link Between Relationship Churning and Father Involvement
Authors: Turney Kristin , Halpern-Meekin Sarah
Published: April 2017

Family systems theory points to the interconnected nature of dyadic relationships within the family unit, arguing for attention to how the parental relationship shapes their ties to and interactions with their children. Grounded in family systems theory, we consider how relationship churning—defined as being in an on-again/off-again relationship with the same partner—is associated with father involvement. We use data from the Fragile Families and Child Wellbeing Study to examine how father involvement among relationship churners compares with father involvement among those in three other relationship types (measured during the first five years of the focal child’s life): stably together relationships, stably broken-up relationships, and repartnered relationships. First, we find that churning fathers remain more involved with their 9-year-old children than do parents who stably break up or repartner, but they are less involved than those who are stably together. Second, lower relationship quality among churners—and, to a lesser extent, repartnering and childbearing with a new partner—explains some of the differences in father involvement between churners and the stably together. Third, these differences are most apparent among parents not living together when father involvement is measured. Taken together, the focus on relationship churning extends prior research on the association between relationship transitions and father involvement by separating relationship instability from partner change.
Biological Control
Authors: Heimpel George E. , Mills Nicholas J.
Published: April 2017

Biological control is the suppression of populations of pests and weeds by living organisms. These organisms can provide important protection from invasive species and protect our environment by reducing the need for pesticides. However, they also pose possible environmental risks, so biological control interventions must be undertaken with great care. This book enhances our understanding of biological control interactions by combining theory and practical application. Using a combination of historical analyses, theoretical models and case studies, with explicit links to invasion biology, the authors cover biological control of insects, weeds, plant pathogens and vertebrate animals. The book reflects increasing recognition of risks over the past 20 years, and incorporates the latest technological advances and theoretical developments. It is ideal for researchers and students of biological control and invasion biology.
ECHOING RULERSHIP—UNDERSTANDING MUSICAL REFERENCES IN THE HUAINANZI
Authors: Rom Avital H.
Published: April 2017

The Huainanzi text (淮南子 presented in 139 b.c.e. compiled by Liu An 劉安 179–122 b.c.e.), while defining itself as a political guide, is replete with references to Music (yue 樂) itself and music-related terms. While no chapter of the work’s twenty-one chapters is specifically dedicated to the subject of music, no single chapter of it is without musical references. This gives rise to the question: Which functions could music possibly have in such an overtly political text?

What this article will examine are the interactions between music and the social and political spheres in the Huainanzi. An analysis of the text’s musical references reveals an intriguing, multidimensional attitude toward music, touching upon moral discourse, discourse on political power, cosmological perceptions, and much more.

The article suggests a dual function of music in the text—on the one hand, music serves as a rhetorical tool for the authors of the Huainanzi, and on the other hand, it is a subject of discussion in its own right. For each of these functions of music, a model is proposed. The first model depicts the innovative musical conceptions of the Huainanzi; the second demonstrates how, through an analysis of musical references in the text, a model of sagely rulership is revealed. These models are illustrated and embodied in the human realm.
THE UYGHURS FROM MODULAR COMMUNITY TO PARTISAN NATION
Authors: Atwood Christopher P.
Published: April 2017

The study of ethnicity has long been shaped by a conflict between two broad positions, one of which may be called the circumstantialist or instrumentalist position, and the other the primordialist or affectivist position. The primordialists view ethnic sentiments as something existing prior to and not dependent on goal-oriented behavior and hence not subject to calculation. The circumstantialists, however, view ethnicity as a product of particular circumstances in which contingent groups, usually at the behest of elites within those groups, broaden and reconceptualize their particular group interests as being derived from a common primordial substance, thus generating ethnicity. These circumstantialist or instrumentalist arguments as a rule assume that the particular circumstances where such group redefinitions and extensions prove useful are either unique to, or at least much more common in, the modern age. Thus the circumstantialist approach usually implies a modernist one.
Conflict and concession: nationality in the pastorate for Althaus and Bonhoeffer
Authors: Robinson David , Tafilowski Ryan
Published: April 2017

In their 1920s expatriate theologies, Paul Althaus and Dietrich Bonhoeffer claim to be bound by a conflictual international ‘law’, which mandates violent competition while authorising the strong to displace weaker peoples. We argue that acknowledging such correspondence helps to reveal a surprising turn in their diverging ecclesiological judgements over the 1933 Aryan Paragraph. Ironically, although Althaus holds to the productivity of conflict between peoples, he supports the exclusion of Jewish pastors in Germany as a concession to fragilevölkischidentity. In contrast, Bonhoeffer's new pacifist leanings coincide with his incitement to conflict on behalf of Jewish colleagues, overriding the use of Pauline admonition to defer to the ‘weak’ conscience.
Interpersonal harm aversion as a necessary foundation for morality: A developmental neuroscience perspective
Authors: Decety Jean , Cowell Jason M.
Published: April 2017

Growing evidence from developmental psychology and social neuroscience emphasizes the importance of third-party harm aversion for constructing morality. A sensitivity to interpersonal harm emerges very early in ontogeny, as reflected in both the capacity for implicit social evaluation and an aversion for antisocial agents. Yet it does not necessarily entail avoidance toward inflicting pain to others. Later, an understanding that harmful actions cause suffering emerges, followed by an integration of rules that can depend on social contexts and cultures. These developmental findings build on a burgeoning literature, which suggests that the fundamental nature of moral and social cognition, including their motivational and hedonic value, lies in general computational processes such as attention, approach–avoidance, social valuation, and decision making rather than in fully distinct, dedicated neural regions for morality. Bridging the gap between cognition and behaviors and the requisite affective, motivational, and cognitive mechanisms, a developmental neuroscience approach enriches our understanding of the emergence of morality.
The financial feasibility of delaying Social Security: evidence from administrative tax data
Authors: GODA GOPI SHAH , RAMNATH SHANTHI , SHOVEN JOHN B. , SLAVOV SITA NATARAJ
Published: April 2017

Despite the large and growing returns to deferring Social Security benefits, most individuals claim Social Security before the full retirement age. In this paper, we use a panel of administrative tax data on individuals likely to financially benefit from delaying Social Security claiming to explore the relationship between Social Security claiming and distributions from tax-advantaged retirement savings accounts. We find that the majority of our sample claim Social Security prior to taking distributions from Individual Retirement Accounts (IRAs). We also find that a third of our sample have IRA balances equivalent to at least two additional years of Social Security benefits, and a quarter have IRA balances equivalent to at least 4 years of Social Security benefits. We complement our analysis with data from the Health and Retirement Study and find that these percentages are considerably higher when other financial assets are taken into account.
How Do Microbial Ecosystems and Climate Change Interact?
Authors: Williams Billy
Published: April 2017

The American Society for Microbiology and the American Geophysical Union offer insights from a transdisciplinary collaboration of their scientists regarding this question and areas for further study.
Viewing immune regulation as it happens: in vivo imaging for investigation of regulatory T‐cell function
Authors: Hickey Michael J , Chow Zachary
Published: April 2017

Regulatory T cells (Tregs) play indispensable roles in the immune system, in limiting excessive or inappropriate immune and inflammatory responses. They achieve this function via effects on other immune cells in the secondary lymphoid system, and in peripheral locations such as skin, gut and bone marrow. As for the more extensively studied cellular players in the immune system, particularly dendritic cells and conventional T cells, in vivo imaging of Tregs via two‐photon (or multiphoton) microscopy (MPM) has been central to the development of understanding how these cells function. In this brief review, we will describe the studies that have utilised MPM to examine Treg behaviour in vivo. These studies have investigated Treg behaviour in lymph nodes and spleen, as well as in peripheral organs such as skin, small intestine and bone marrow. The findings from these experiments underline how assumptions made about Treg function based on results of in vitro experiments are often not supported by direct visualisation of these cells in their normal in vivo settings. Together this work reveals that only via MPM analysis can Treg function be investigated in the complicated multicellular environments where conventional T cells, antigen‐presenting cells and other potential cellular targets of Tregs are present with each undergoing their own specific actions.
Discriminative and Distinct Phenotyping by Constrained Tensor Factorization
Authors: Kim Yejin , El-Kareh Robert , Sun Jimeng , Yu Hwanjo , Jiang Xiaoqian
Published: April 2017

Adoption of Electronic Health Record (EHR) systems has led to collection of massive healthcare data, which creates oppor- tunities and challenges to study them. Computational phenotyping offers a promising way to convert the sparse and complex data into meaningful concepts that are interpretable to healthcare givers to make use of them. We propose a novel su- pervised nonnegative tensor factorization methodology that derives discriminative and distinct phenotypes. We represented co-occurrence of diagnoses and prescriptions in EHRs as a third-order tensor, and decomposed it using the CP algorithm. We evaluated discriminative power of our models with an Intensive Care Unit database (MIMIC-III) and demonstrated superior performance than state-of-the-art ICU mortality calculators (e.g., APACHE II, SAPS II). Example of the resulted phenotypes are sepsis with acute kidney injury, cardiac surgery, anemia, respiratory failure, heart failure, cardiac arrest, metastatic cancer (requiring ICU), end-stage dementia (requiring ICU and transitioned to comfort-care), intraabdominal conditions, and alcohol abuse/withdrawal.
Changes in structural and pigmentary colours in response to cold stress in Polyommatus icarus butterflies
Authors: Kertész Krisztián , Piszter Gábor , Horváth Zsolt Endre , Bálint Zsolt , Biró László Péter
Published: April 2017

While numerous papers have investigated the effects of thermal stress on the pigmentary colours of butterfly wings, such studies regarding structural colours are mostly lacking, despite the important role they play in sexual communication. To gain insight into the possible differences between the responses of the two kinds of colouration, we investigated the effects of prolonged cold stress (cooling at 5 °C for up to 62 days) on the pupae of Polyommatus icarus butterflies. The wing surfaces coloured by photonic crystal-type nanoarchitectures (dorsal) and by pigments (ventral) showed markedly different behaviours. The ventral wing surfaces exhibited stress responses proportional in magnitude to the duration of cooling and showed the same trend for all individuals, irrespective of their sex. On the dorsal wing surface of the males, with blue structural colouration, a smaller magnitude response was found with much more pronounced individual variations, possibly revealing hidden genetic variations. Despite the typical, pigmented brown colour of the dorsal wing surface of the females, all cooled females exhibited a certain degree of blue colouration. UV-VIS spectroscopy, optical microscopy, and scanning and transmission electron microscopy were used to evaluate the magnitude and character of the changes induced by the prolonged cold stress.
Erratum: Maternally expressed NLRP2 links the subcortical maternal complex (SCMC) to fertility, embryogenesis and epigenetic reprogramming
Authors: Mahadevan Sangeetha , Sathappan Varsha , Utama Budi , Lorenzo Isabel , Kaskar Khalied , Van den Veyver Ignatia B.
Published: April 2017

Scientific Reports 7: Article number: 44667; published online: 20 March 2017; updated: 19 April 2017 The original version of this Article contained an incorrect affiliation list. The correct affiliations are listed below: Affiliation 1 Department of Obstetrics and Gynecology, Baylor College of Medicine, Houston, Texas, 77030, USA.
Transient elastography as a screening tool for liver fibrosis in a large hemodialysis population
Authors: Cheng Ben-Chung , Yen Yi-Hao , Chen Jung-Fu , Wu Cheng-Kun , Chang Kuo-Chin , Tseng Po-Lin , Tsai Ming-Chao , Lin Ming-Tsung , Lin Jung-Ting , Chen Jin-Bor , Hu Tsung-Hui
Published: April 2017

Metabolic syndrome, an etiological factor in non-alcoholic fatty liver disease (NAFLD), is often present in hemodialysis patients. Little is known about the prevalence of, and factors associated with, liver fibrosis in hemodialysis populations. We used transient elastography (TE) to investigate these phenomena. 659 patients treated with chronic hemodialysis were enrolled. We excluded those with excess alcohol intake, liver stiffness measurement (LSM) failure, or unreliable LSM values. LSM ≥8.0 kPa was used as a cutoff suggesting clinically relevant fibrosis. Controlled attenuation parameter (CAP) ≥ 232.5 dB/m was used as a cutoff suggesting steatosis. 333 patients (50.5%) had steatosis, 159 (24.1%) had hepatitis B or C, and 149 (22.6%) had LSM ≥8.0 kPa. In multivariable analyses, male gender (OR: 2.16; 95% CI: 1.29–3.63; P = 0.004), overweight body habitus (OR:2.31; 95% CI: 1.35–3.94; P = 0.002), high AST level (OR:1.08; 95% CI: 1.04–1.12; P < 0.001), low albumin level (OR: 0.25; 95% CI: 0.12–0.53; P < 0.001), low creatinine level (OR: 0.89; 95% CI: 0.79–1.00; P = 0.05) and low platelet count (OR: 0.99; 95% CI: 0.99–1.00; P < 0.001) were associated with LSM ≥8.0 kPa. We thus conclude that hemodialysis patients have a high prevalence of NAFLD and clinically relevant fibrosis. NAFLD may be an important determinant of clinically relevant fibrosis in hemodialysis populations.
On the Role of the Electrical Field in Spark Plasma Sintering of UO2+x
Authors: Tyrpekl Vaclav , Naji Mohamed , Holzhäuser Michael , Freis Daniel , Prieur Damien , Martin Philippe , Cremer Bert , Murray-Farthing Mairead , Cologna Marco
Published: April 2017

The electric field has a large effect on the stoichiometry and grain growth of UO2+x during Spark Plasma Sintering. UO2+x is gradually reduced to UO2.00 as a function of sintering temperature and time. A gradient in the oxidation state within the pellets is observed in intermediate conditions. The shape of the gradient depends unequivocally on the direction of the electrical field. The positive surface of the pellet shows a higher oxidation state compared to the negative one. An area with larger grain size is found close to the positive electrode, but not in contact with it. We interpret these findings with the redistribution of defects under an electric field, which affect the stoichiometry of UO2+x and thus the cation diffusivity. The results bear implications for understanding the electric field assisted sintering of UO2 and non-stoichiometric oxides in general.
Oxygen thermomigration in acceptor-doped perovskite
Authors: Shin Donghoon , Yoo Han-Ill
Published: April 2017

The recent practice with qO* = ΔHm > 0 in treating O-thermomigration in memristive oxides is absolutely not the case. For the case of memristive perovskite CaTi0.90Sc010O2.95+δ, its mobile oxygen turns from thermophilic (qO* < 0) to thermophobic (qO* > 0) as the minority electronic carrier type shift from electrons to holes with increasing oxygen activity.
Plasma treatment effect on polymer buried interfacial structure and property
Authors: Ulrich Nathan W. , Andre John , Williamson Jaimal , Lee Kang-Wook , Chen Zhan
Published: April 2017

Adhesion is important in many industrial applications including those in the microelectronics industry.
Self-assembly of inverse patchy colloids with tunable patch coverage
Authors: Sabapathy Manigandan , Ann Mathews K Remya , Mani Ethayaraja
Published: April 2017

We report a simple and scalable technique for the preparation of patchy particles with tunable patch coverage.
Encapsulation into complex coacervate core micelles promotes EGFP dimerization
Authors: Nolles A. , van Dongen N. J. E. , Westphal A. H. , Visser A. J. W. G. , Kleijn J. M. , van Berkel W. J. H. , Borst J. W.
Published: April 2017

High packaging densities are obtained by encapsulation of EGFP and mEGFP in complex coacervate core micelles (C3Ms) resulting in noticeable spectral differences between EGFP and mEGFP. We address these changes to dimerization of EGFP whereas mEGFP mainly remains monomeric in C3Ms.
Mechanochemical synthesis of nanostructured metal nitrides, carbonitrides and carbon nitride: a combined theoretical and experimental study
Authors: Rounaghi Seyyed Amin , Vanpoucke Danny E. P. , Eshghi Hossein , Scudino Sergio , Esmaeili Elaheh , Oswald Steffen , Eckert Jürgen
Published: April 2017

Mechanochemical reaction of metals with melamine: a versatile route to the synthesis of nanostructured metal nitrides, carbonitrides and carbon nitride.
Binary twinned-icosahedral [B21H18]− interacts with cyclodextrins as a precedent for its complexation with other organic motifs
Authors: Eyrilmez Saltuk M. , Bernhardt Eduard , Dávalos Juan Z. , Lepšík Martin , Hobza Pavel , Assaf Khaleel I. , Nau Werner M. , Holub Josef , Oliva-Enrich Josep M. , Fanfrlík Jindřich , Hnyk Drahomír
Published: April 2017

A macropolyhedral boron hydride anion with two counterions can form stable complexes with β- and γ-cyclodextrin in the gas phase.
How does substitution affect the unimolecular reaction rates of Criegee intermediates?
Authors: Yin Cangtao , Takahashi Kaito
Published: April 2017

Unimolecular reaction rates of Criegee intermediates show substitution effect.
Photoelectrochemical water reduction over wide gap (Ag,Cu)(In,Ga)S2 thin film photocathodes
Authors: Septina Wilman , Sugimoto Minori , Chao Ding , Shen Qing , Nakatsuka Shigeru , Nose Yoshitaro , Harada Takashi , Ikeda Shigeru
Published: April 2017

Efficient photocathodes for water reduction, composed of (Ag,Cu)(In,Ga)S2 thin films, were prepared via a facile spray deposition technique.
A theoretical study on hot charge-transfer states and dimensional effects of organic photocells based on an ideal diode model
Authors: Shimazaki Tomomi , Nakajima Takahito
Published: April 2017

This paper discusses an ideal diode model with hot charge-transfer (CT) states to analyze the power conversion efficiency of an organic photocell.
Editorial of the PCCP themed issue on “Physical Chemistry for Life Sciences”
Authors: van Wüllen Christoph , Schwing Kirsten , Riehn Christoph , Gerhards Markus
Published: April 2017

This themed issue features high quality and original research on the theme of Physical Chemistry for Life Sciences.
Understanding the speciation of Ln(iii) complexes with octadentate tripodal ligands
Authors: Aroussi Badr El , Hamacek Josef
Published: April 2017

Thorough speciation studies of Ln(iii) complexes with new dissymmetrical tripodal ligands were undertaken, which reveal the preferential formation of unsaturated dinuclear helicates.
Luminescent closed shell nickel(ii) pyridyl-azo-oximates and the open shell anion radical congener: molecular and electronic structure, ligand redox behaviour and biological activity
Authors: Pramanik Shuvam , Dutta Suhana , Roy Sima , Dinda Soumitra , Ghorui Tapas , Kumar Mitra Arup , Pramanik Kausikisankar , Ganguly Sanjib
Published: April 2017

Luminescent nickel(ii) complexes have been synthesized using redox-active azo-oximes. The superior π-acidity of the organic backbone is a key to the isolation of Ni(ii) anion radicals.
Synthetic Approach to Argpyrimidine as a Tool for Investigating Nonenzymatic Posttranslational Modification of Proteins
Authors: Becker Christian , Matveenko Maria
Published: April 2017

Nonenzymatic posttranslational modifications (nPTMs) of proteins are involved in age-related, metabolic and other diseases and need to be investigated at the molecular level. Here, we describe how we used organic synthesis to enable the study of the effect of argpyrimidine (Apy), an nPTM that forms at arginine residues, on one of its target proteins. We developed an efficient approach to Apy as a universal building block for Fmoc-based solid-phase peptide synthesis that allows for the construction of peptides containing this nPTM in predetermined positions. Moreover, a straightforward one-step synthesis of protecting-group-free Apy was achieved, which enabled the preparation of gram-quantities of this noncanonical amino acid that can serve as a biomarker or a feedstock in construction of Apy-containing proteins via the expanded genetic code methods.
Efficient Total Synthesis of (±)-Isoguaiacin and (±)-Isogalbulin
Authors: Barker David , Pilkington Lisa , Song Soo , Fedrizzi Bruno
Published: April 2017

1-Arylnaphthalene lignans such as (–)-isoguaiacin and (–)-isogalbulin have been reported to exhibit notable biological properties. While (–)-isoguaiacin has not been previously synthesized, syntheses of (–)-isogalbulin are generally long and produce a mixture of stereoisomers. We herein present the efficient total synthesis of (±)-isoguaiacin and (±)-isogalbulin in seven and eight steps with an overall yield of 46% and 36%, respectively. The reported approach harnesses a hydrogenolysis reaction in acidic conditions, to convert a furan into an arylnaphthalen structure.
Verändertes Keimspektrum von Komplexwunden in Deutschland durch die Behandlung von Verletzten aus Konfliktländern
Authors: Riesner Hans , Friemert Benedikt , Lang Patricia , Palm Hans , Suda Arnold
Published: April 2017

Hintergrund Die Behandlung von Verletzten aus Konfliktländern mit Wunden mit multiresistenten Erregern steigt in Deutschland, vor allem in Bundeswehrkrankenhäusern. Häufig zeigen diese Patienten keine zufriedenstellende Vorbehandlung und hohe Keimbelastung mit seltenen Krankheitserregern. In Deutschland haben die Krankenhäuser diese Erreger per Gesetz zu erheben. Ziel dieser Studie war es, eine Übersicht über die aktuelle Keimsituation bei Komplikationswunden in Deutschland in den vergangenen 10 Jahren zu geben und über die Erfahrungen mit der Behandlung Verletzter mit Komplikationswunden aus Konfliktländern zu berichten.

Patienten und Methoden Es wurde eine PubMed-Suche in Bezug auf alle multiresistenten Erreger, Antibiotikaresistenzen und Richtlinien in Deutschland von 2005 bis 2015 durchgeführt. Die Datenbanken und Empfehlungen des Robert Koch-Instituts, der Paul-Ehrlich-Gesellschaft und des Nationalen Referenzzentrums für Surveillance von nosokomialen Infektionen wurden analysiert und die Screeningergebnisse der verletzten Patienten aus Konfliktländern, die im Bundeswehrkrankenhaus Ulm behandelt wurden, eingeschlossen.

Ergebnisse Das Spektrum von pathogenen Erregern in Bezug zu nosokomialen Infektionen änderte sich nicht, sehr wohl aber das Verhältnis der Krankheitserreger zueinander. Infektionen mit methicillinresistentem Staphylococcus aureus (MRSA) verringerten sich, vancomycinresistente Enterococcusinfektionen nehmen hingegen kontinuierlich zu und Enterococcus faecium (E. faecium) stellt heute den größten Teil der VRE dar. Obgleich die Datenbanken noch keine Ergebnisse in Bezug auf die relativ neue Klassifizierung der multiresistenten gramnegativen (MRGN) Krankheitserreger liefern können, spielen MRGN-Erreger bei Verletzten aus Konfliktländern die Hauptrolle.

Schlussfolgerung In den letzten 10 Jahren traten Änderungen im Resistenzmuster und im Verhältnis multiresistenter Krankheitserreger zueinander auf. MRSA-Infektionen gingen in den letzten 10 Jahren zurück, der Einsatz von Reserveantibiotika stieg hingegen an. Infektionen mit VRE steigen und sogar einige Reserveantibiotika haben ihre Wirksamkeit verloren, weil der unkritische Einsatz moderner Antibiotika stetig zunimmt. In Bezug auf 3- und 4-MRGN gibt es noch keine validen deutschen Daten. Diese Erreger spielen die Hauptrolle bei Verletzten aus Konfliktländern, die in Deutschland behandelt werden. Routinescreening und umfassende Hygienesicherheitsmaßnahmen einschließlich Isolierung sind hier von entscheidender Bedeutung. Die chirurgische Wundtherapie tritt nun mehr und mehr in den Vordergrund und der unkritische und teure Einsatz von Antibiotika sollte – wenn nicht unbedingt erforderlich – in den Hintergrund treten.
Atomistic insight into the non-classical nucleation mechanism during solidification in Ni
Authors: Díaz Leines Grisell , Drautz Ralf , Rogal Jutta
Published: April 2017

Nucleation is a key step during crystallization, but a complete understanding of the fundamental atomistic processes remains elusive. We investigate the mechanism of nucleation during solidification in nickel for various undercoolings using transition path sampling simulations. The temperature dependence of the free energy barriers and rate constants that we obtain is consistent with the predictions of classical nucleation theory and experiments. However, our analysis of the transition path ensemble reveals a mechanism that deviates from the classical picture of nucleation: the growing solid clusters have predominantly non-spherical shapes and consist of face-centered-cubic and random hexagonal-close-packed coordinated atoms surrounded by a cloud of prestructured liquid. The nucleation initiates in regions of supercooled liquid that are characterized by a high orientational order with structural features that predetermine the polymorph selection. These results provide atomistic insight not only into the nucleation mechanism of nickel but also into the role of the preordered liquid regions as precursors for crystallization.
Alloy composition fluctuations and percolation in semiconductor alloy quantum wells
Authors: Horton M. K. , Moram M. A.
Published: April 2017

Fluctuations in local alloy composition on small length scales may have a significant effect on device performance, particularly when there is a large disparity in the properties such as atomic size of the constituent alloy components. In particular, a random alloy is subject to a percolation threshold, above which an infinitely connected network of the minority alloy component exists. While these percolation thresholds are well known for ideal 2D and 3D lattices, they are unknown for the intermediary “2.5D” case, appropriate for quantum well structures. This letter presents calculations of the percolation threshold for 2.5D quantum well-like hexagonal, diamond/silicon and body-centred cubic lattices that are directly relevant to many semiconductor alloys, and enables further experimental inquiry into the effect of percolation on the properties of semiconductor alloys.
Solid-state fractional capacitor using MWCNT-epoxy nanocomposite
Authors: John Dina A. , Banerjee Susanta , Bohannan Gary W. , Biswas Karabi
Published: April 2017

Here, we propose the fabrication of a solid state fractional capacitor for which constant phase (CP) angles were attained in different frequency zones: 110 Hz–1.1 kHz, 10 kHz–118 kHz, and 230 kHz–20 MHz. The configuration makes use of epoxy resin as the matrix in which multi-walled carbon nanotubes (MWCNTs) are dispersed. Adhesive nature of the epoxy resin is utilized for binding the electrodes, which avoids the extra step for packaging. The fractional capacitive behavior is contributed by the distribution of time constants for the electron to travel from one electrode to the other. The distributive nature of the time constant is ensured by inserting a middle plate which is coated with a porous film of polymethyl-methacrylate in between the two electrodes. The phase angle trend for the configuration is studied in detail, and it is observed that as the % of carbon nanotubes (CNTs) loading increases, the CP angle increases from −85° to −45° in the frequency zones above 100 Hz. The developed device is compact and it can be easily integrated with the electronic circuits.
Surface-enhanced fluorescence in metal nanoparticle-doped polymer nanofibers via waveguiding excitation
Authors: Yu Jiaxin , Liao Feng , Liu Fang , Gu Fuxing , Zeng Heping
Published: April 2017

We report a waveguiding excitation-based approach for surface-enhanced fluorescence. As high as 17-fold enhanced fluorescence intensity of Rhodamine 6G molecules is realized by gold nanoparticles embedded in polymer nanofibers. The enhancement results not only from the spatial confinement of light by the nanofibers but also from the wavelength match among the excitation laser, the localized surface plasmon resonance of nanoparticles, and the absorption band of dyes. On the basis of the enhancement and high-efficient waveguiding regime, the required excitation power for detectable fluorescence is decreased to the 20 nW level, which is about 50 times lower than that by free-space excitation. These fluorophore/nanoparticle-doped nanofibers may find applications in compact and energy-efficient optical devices of chemical analysis and biosensing.
Highly aligned conjugated polymer films prepared by rotation coating for high-performance organic field-effect transistors
Authors: Van Tho Luu , Park Won-Tae , Choi Eun-Young , Noh Yong-Young
Published: April 2017

Recently, exceptionally high field-effect mobility in organic field-effect transistors (OFETs) has been fabricated using semiconducting films with one-dimensionally aligned, highly planar electron donor-acceptor copolymers, within the channel of transistors. Here, we propose an extremely simple coating method, called rotation coating, for preparing highly aligned, conjugated polymer thin films for applications in various organic electronic devices. We realize highly aligned polymer films using various conjugated polymers and applied the films as active layers for high-performance OFETs. Significantly high field-effect mobility values of 1.45 ± 0.46 cm2/Vs have been achieved for rotation coated diketopyrrolopyrrole-thieno[3,2-b]thiophene copolymer films.
A broadband compressive-mode vibration energy harvester enhanced by magnetic force intervention approach
Authors: Zou Hong-Xiang , Zhang Wen-Ming , Li Wen-Bo , Hu Kai-Ming , Wei Ke-Xiang , Peng Zhi-Ke , Meng Guang
Published: April 2017

This letter presents a magnetic force intervention approach to enhance the performance of a broadband compressive-mode vibration energy harvester. The magnetic force intervention promotes a magnetic oscillator to vibrate within a desired work area. A magnetic stator drives the magnetic oscillator away by employing a repulsive magnetic force, while two magnetic stoppers (upper and lower magnets) limit the unwanted large displacement of the magnetic oscillator and drive it back toward the magnetic stator. Numerical and experimental results show that the performances of a compressive-mode bistable vibration energy harvester under low-frequency (<10 Hz) weak excitation can be significantly enhanced by using magnetic stoppers. Moreover, the magnetic force that acting against the magnetic stopper can also generate electricity.
Dynamics of apokamp-type atmospheric pressure plasma jets initiated in air by a repetitive pulsed discharge
Authors: Tarasenko V. F. , Sosnin E. A. , Skakun V. S. , Panarin V. A. , Trigub M. V. , Evtushenko G. S.
Published: April 2017

This paper presents the research data on the dynamics of a repetitive pulsed discharge as a source of plasma jets in atmospheric pressure air and on the conditions under which the discharge produces apokamp–plasma jets ejected from the bending point of the discharge channel with no gas supply through the discharge region. The data suggest that the formation of apokamps requires the application of a large number of voltage pulses to sharp-ended electrodes at a repetition frequency of several to tens of kilohertz. Before an apokamp starts developing, the apokamp-initiating discharge passes through a spark stage and then becomes diffuse. Next, at the site of electric field amplification, the discharge channel gives rise to a bright branch from which plasma bullets escape with a velocity of ∼200 km/s. The images of different discharge and apokamp stages are presented.