bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploration of the effect of sequence variations located inside the binding pocket of HIV-1 and HIV-2 proteases
Authors: Triki Dhoha , Billot Telli , Visseaux Benoit , Descamps Diane , Flatters Delphine , Camproux Anne-Claude , Regad Leslie 
Published: April 2018

AbstractHIV-2 protease (PR2) is naturally resistant to most FDA (Food and Drug Administration)-approved HIV-1 protease inhibitors (PIs), a major antiretroviral class. In this study, we compared the PR1 and PR2 binding pockets extracted from structures complexed with 12 ligands. The comparison of PR1 and PR2 pocket properties showed that bound PR2 pockets were more hydrophobic with more oxygen atoms and fewer nitrogen atoms than PR1 pockets. The structural comparison of PR1 and PR2 pockets highlighted structural changes induced by their sequence variations and that were consistent with these property changes. Specifically, substitutions at residues 31, 46, and 82 induced structural changes in their main-chain atoms that could affect PI binding in PR2. In addition, the modelling of PR1 mutant structures containing V32I and L76M substitutions revealed a cooperative mechanism leading to structural deformation of flap-residue 45 that could modify PR2 flexibility. Our results suggest that substitutions in the PR1 and PR2 pockets can modify PI binding and flap flexibility, which could underlie PR2 resistance against PIs. These results provide new insights concerning the structural changes induced by PR1 and PR2 pocket variation changes, improving the understanding of the atomic mechanism of PR2 resistance to PIs.
Calorie restriction is the most reasonable anti-ageing intervention: a meta-analysis of survival curves
Authors: Liang Yaru , Liu Chang , Lu Maoyang , Dong Qiongye , Wang Zimu , Wang Zhuoran , Xiong Wenxiang , Zhang Nannan , Zhou Jiawei , Liu Qingfei , Wang Xiaowo , Wang Zhao 
Published: April 2018

AbstractDespite technological advances, the survival records from longevity experiments remain the most indispensable tool in ageing-related research. A variety of interventions, including medications, genetic manipulations and calorie restriction (CR), have been demonstrated to extend the lifespan of several species. Surprisingly, few systematic studies have investigated the differences among these anti-ageing strategies using survival data. Here, we conduct a comprehensive and comparative meta-analysis of numerous published studies onCaenorhabditis elegansandDrosophila. We found that CR and genetic manipulations are generally more effective than medications at extending the total lifespan in both models, and CR can improve the ageing pattern ofC.elegans. We further analysed the survival variation for different anti-ageing medications and determined that hypoglycaemic agents and antioxidants are advantageous despite only moderately increasing the overall lifespan; therefore, these two types of medications are promising CR mimetics. Analysis of genetic manipulations also indicated that the genes or pathways that extend lifespan in a healthier pattern are associated with CR. These results suggest that CR or CR mimetics may be the most reasonable and potentially beneficial anti-ageing strategy.
Satiation state-dependent dopaminergic control of foraging in Drosophila
Authors: Landayan Dan , Feldman David S. , Wolf Fred W. 
Published: April 2018

AbstractHunger evokes stereotypic behaviors that favor the discovery of nutrients. The neural pathways that coordinate internal and external cues to motivate foraging behaviors are only partly known. Drosophila that are food deprived increase locomotor activity, are more efficient in locating a discrete source of nutrition, and are willing to overcome adversity to obtain food. We developed a simple open field assay that allows flies to freely perform multiple steps of the foraging sequence, and we show that two distinct dopaminergic neural circuits regulate measures of foraging behaviors. One group, the PAM neurons, functions in food deprived flies while the other functions in well fed flies, and both promote foraging. These satiation state-dependent circuits converge on dopamine D1 receptor-expressing Kenyon cells of the mushroom body, where neural activity promotes foraging independent of satiation state. These findings provide evidence for active foraging in well-fed flies that is separable from hunger-driven foraging.
Out-of-plane interface dipoles and anti-hysteresis in graphene-strontium titanate hybrid transistor
Authors: Sahoo Anindita , Nafday Dhani , Paul Tathagata , Ruiter Roald , Roy Arunesh , Mostovoy Maxim , Banerjee Tamalika , Saha-Dasgupta Tanusri , Ghosh Arindam 
Published: April 2018

AbstractThe out-of-plane electric polarization at the surface of SrTiO3 (STO), an archetypal perovskite oxide, may stabilize new electronic states and/or host novel device functionality. This is particularly significant in proximity to atomically thin membranes, such as graphene, although a quantitative understanding of the polarization across graphene–STO interface remains experimentally elusive. Here, we report direct observation and measurement of a large intrinsic out-of-plane polarization at the interface of single-layer graphene and TiO2-terminated STO (100) crystal. Using a unique temperature dependence of anti-hysteretic gate-transfer characteristics in dual-gated graphene-on-STO field-effect transistors, we estimate the polarization to be as large as ≈12 μC cm−2, which is also supported by the density functional theory calculations and low-frequency noise measurements. The anti-hysteretic transfer characteristics is quantitatively shown to arise from an interplay of band bending at the STO surface and electrostatic potential due to interface polarization, which may be a generic feature in hybrid electronic devices from two-dimensional materials and perovskite oxides.
Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo
Authors: Aldeghi Matteo , Ross Gregory A. , Bodkin Michael J. , Essex Jonathan W. , Knapp Stefan , Biggin Philip C. 
Published: April 2018

AbstractConserved water molecules are of interest in drug design, as displacement of such waters can lead to higher affinity ligands, and in some cases, contribute towards selectivity. Bromodomains, small protein domains involved in the epigenetic regulation of gene transcription, display a network of four conserved water molecules in their binding pockets and have recently been the focus of intense medicinal chemistry efforts. Understanding why certain bromodomains have displaceable water molecules and others do not is extremely challenging, and it remains unclear which water molecules in a given bromodomain can be targeted for displacement. Here we estimate the stability of the conserved water molecules in 35 bromodomains via binding free energy calculations using all-atom grand canonical Monte Carlo simulations. Encouraging quantitative agreement to the available experimental evidence is found. We thus discuss the expected ease of water displacement in different bromodomains and the implications for ligand selectivity.
Formation of globular clusters with multiple stellar populations from massive gas clumps in high-z gas-rich dwarf galaxies
Authors: Bekki K. 
Published: April 2018

Context. One of the currently favored scenarios for the formation of globular clusters (GCs) with multiple stellar populations is that an initial massive stellar system forms (“first generation”, FG), subsequently giving rise to gaseous ejecta which is converted into a second-generation (SG) of stars to form a GC. How such GCs with such FG and SG populations form and evolve, however, remains unclear.
Aims. We therefore investigate, for the first time, the sequential formation processes of both FG and SG stars from star-forming massive gas clumps in gas-rich dwarf disk galaxies.
Methods. We adopt a novel approach to resolve the two-stage formation of GCs in hydrodynamical simulations of dwarf galaxies. In the new simulations, new gas particles that are much less massive than their parent star particle are generated around each new star particle when the new star enters into the asymptotic giant branch (AGB) phase. Furthermore, much finer maximum time step width (~105 yr) and smaller softening length (~2 pc) are adopted for such AGB gas particles to properly resolve the ejection of gas from AGB stars and AGB feedback effects. Therefore, secondary star formation from AGB ejecta can be properly investigated in galaxy-scale simulations.
Results. An FG stellar system can first form from a massive gas clump developing due to gravitational instability within its host gas-rich dwarf galaxy. Initially the FG stellar system is not a single massive cluster, but instead is composed of several irregular stellar clumps (or filaments) with a total mass larger than 106 M⊙. While the FG system is dynamically relaxing, gaseous ejecta from AGB stars can be gravitationally trapped by the FG system and subsequently converted into new stars to form a compact SG stellar system within the FG system. Interestingly, about 40% of AGB ejecta is from stars that do not belong to the FG system (“external gas accretion”). FG and SG stellar systems have different amplitudes of internal rotation and V∕σ. The mass-density (MSG−ρSG) relation for SG stellar systems can be approximated as ρSG ∝ MSG1.5. There can be a threshold total mass of GC host galaxies (Mth = [5 − 23] × 109 M⊙) beyond which the formation of GCs with compact SG stellar systems is possible. Both the initial baryonic mass fraction and the gas mass fraction in dwarfs are crucial parameters that determine whether or not GCs can contain multiple stellar populations. GCs with compact SG stellar systems are more likely to form in dwarf disks with larger gas mass fractions and higher surface mass densities. Formation of binary GCs with SGs and the subsequent GC merging are clearly seen in some models. The derived external gas-accretion process in FG systems initially consisting of stellar clumps will need to be investigated further in more sophisticated simulations.
Distances from the tip of the red giant branch to the dwarf galaxies dw1335-29 and dw1340-30 in the Centaurus group
Authors: Müller Oliver , Rejkuba Marina , Jerjen Helmut 
Published: April 2018

Context. The abundance and spatial distribution of dwarf galaxies are excellent empirical benchmarks against which to test models of structure formation on small scales. The nearby Centaurus group, with its two subgroups centered on Cen A and M 83, stands out as an important alternative to the Local Group for scrutinizing cosmological model predictions in a group of galaxies context.
Aims. We have obtained deep optical images of three recently discovered M 83 satellite galaxy candidates with the FORS2 instrument mounted on the Very Large Telescope. We aim to confirm their group membership and study their stellar population.
Methods. Deep V I-band photometry was used to resolve the brightest stars in our targets. Artificial star tests are performed to estimate the completeness and uncertainties of the photometry. The color-magnitude diagrams reveal the red giant branch (RGB) stars, allowing us to use the Sobel edge detection method to measure the magnitude of the RGB tip and thus derive distances and group membership for our targets. The mean metallicity of the dwarf galaxies were further determined by fitting BASTI model isochrones to the mean RGB locus.
Results. We confirm the two candidates, dw1335-29 and dw1340-30, to be dwarf satellites of the M 83 subgroup, with estimated distances of 5.03 ± 0.24 Mpc and 5.06 ± 0.24 Mpc, respectively. Their respective mean metallicities of ⟨[Fe/H]⟩ = −1.79 ± 0.4 and ⟨[Fe/H]⟩ = −2.27 ± 0.4 are consistent with the metallicity–luminosity relation for dwarf galaxies. The third candidate, dw1325-33, could not be resolved into stars due to insufficiently deep images, implying its distance must be larger than 5.3 Mpc. Using the two newly derived distances we assess the spatial distribution of the galaxies in the M 83 subgroup and discuss a potential plane-of-satellites around M 83.
Basiskonzepte, die greifen
Authors: Dreismickenbecker Gisela 
Published: April 2018

SummaryErnährungsumstellung – vor allem das Meiden arachidonsäurehaltiger Nahrungsmittel – hilft, entzündungsunterhaltende Faktoren zu minimieren. Ausleitende Verfahren wie Aderlass- und Blutegeltherapie wirken ebenfalls antientzündlich sowie umstimmend. Die Behandlung der Darmdysbiose mit einem antimykotischen und einem mikrobiologischen Präparat wirkt sich positiv auf die Arthritis aus.Ernährungsumstellung – vor allem das Meiden arachidonsäurehaltiger Nahrungsmittel – hilft, entzündungsunterhaltende Faktoren zu minimieren. Ausleitende Verfahren wie Aderlass- und Blutegeltherapie wirken ebenfalls antientzündlich sowie umstimmend. Die Behandlung der Darmdysbiose mit einem antimykotischen und einem mikrobiologischen Präparat wirkt sich positiv auf die Arthritis aus.
Heilsames Süßholz raspeln
Authors: Beck Andrea 
Published: April 2018

SummaryDie Süßholzwurzel, kulinarisch in Form von Lakritze bekannt, wurde bereits im Altertum zu Würz- und Heilzwecken verwendet. Man verwendet die Wurzeln von Glycyrrhiza glabra (echtes Süßholz) mit seinen vielfältigen Inhaltsstoffen für verschiedene Indikationen wie Husten und Magenbeschwerden.
Dysbiose: Von der Therapie zur Abrechnung
Authors: Gundacker Stefanie 
Published: April 2018

SummaryTraditionelle Naturheilverfahren liefern für alltägliche Praxisfälle eine Fülle wirksamer Instrumente und multimodaler Therapiestrategien. Bei Eva B. konnten unter anderem Ausleitungsverfahren nach gezielten regulatorischen Impulsen und Basentherapien Magen-Darm-Störungen zum Abheilen bringen. Kenntnisse über das GebüH und die Erstattungspraxis von privaten Krankenversicherungen und Beihilfe erleichtern die Abrechnung und gewährleisten die Wirtschaftlichkeit der Praxis.
Auf den Spuren einer mittelalterlichen Heilerin
Authors: Konrat Viktoria 
Published: April 2018

SummaryIn ihrem Roman „Die Arznei der Könige“ erzählt die Autorin Sabine Weiß die Geschichte der historischen Figur Medica Jakoba. Sie war eine junge Heilerin, die wegen ihrer als Frau unerlaubten medizinischen Tätigkeit im 14. Jahrhundert in Paris angeklagt und verurteilt wurde.
Das Prüfbare nachweisen, um das Nicht-Prüfbare zu erhalten
Authors: Bierbach Elvira 
Published: April 2018

SummarySeit dem 22. März 2018 sind die bundeseinheitlichen Leitlinien zur Überprüfung von Heilpraktikern in Kraft. In den Prüfungskanon wurden nun auch Themen wie naturheilkundliche Behandlungen, invasive Maßnahmen und Qualitätssicherung aufgenommen. Ein Gespräch mit DHZ-Herausgeberin Elvira Bierbach über die Umsetzung in der Überprüfungspraxis sowie Chancen für den Berufsstand und für seine Zukunft.
Rheuma und chronisch-entzündliche Darmerkrankungen
Authors: Lakomek H.-J. , Bokemeyer B. 
Published: April 2018

ZusammenfassungSpondyloarthritiden unterteilen sich hinsichtlich der Skelettmanifestation in eine periphere und axiale Form und finden sich bei Morbus Crohn und Colitis ulcerosa in ca. 25 % der Fälle als extraintestinale Manifestation. Die Diagnostik beruht auf typischen klinischen Merkmalen bei der axialen Spondyloarthritis. Hier findet sich ein tiefer entzündlicher Rückenschmerz und eine Sakroiliitis (konventionell-radiologisch oder mittels MRT nachgewiesen). Die Diagnose der peripheren Beteiligung bei Spondyloarthritis richtet sich nach dem klinischen Bild unter Berücksichtigung von Krankheitsmerkmalen wie Arthritis, Enthesitis und Daktylitis. Im Vordergrund der Therapie der Spondyloarthritiden mit chronisch- entzündlicher Darmerkrankung (CED) steht neben der intensiven Physiotherapie die kurzfristige Gabe von nichtsteroidalen Antirheumatika (NSAR), da bei längerer Einnahme von NSAR Schübe der CED ausgelöst werden können. Cox-2-Hemmer können hier eine Alternative zu den herkömmlichen NSAR darstellen. Bei der axialen Spondyloarthritis sind Sulfasalazin und MTX weniger wirksam, weshalb möglichst früh eine Therapie mit Biologika gestartet werden sollte. Bei der Spondyloarthritis mit einer peripheren Arthritis können initial kurzfristig verabreichte orale Kortikosteroide effektiv sein, bei persistierender Arthritis kann eine Behandlung mit Sulfasalazin oder Methotrexat versucht werden. Auch für diese Verlaufsformen der Spondylo - arthritis gilt, bei therapieresistenten Fällen möglichst frühzeitig Biologika einzusetzen.
Preoperative Hyponatremia Is Associated with Reoperation and Prolonged Length of Hospital Stay following Total Knee Arthroplasty
Authors: Abola Matthew , Tanenbaum Joseph , Bomberger Thomas , Knapik Derrick , Fitzgerald Steven , Wera Glenn 
Published: April 2018

AbstractHyponatremia is a risk factor for adverse surgical outcomes, but limited information is available on the prognosis of hyponatremic patients who undergo total knee arthroplasty (TKA). The purpose of this investigation was to compare the incidence of major morbidity (MM), 30-day readmission, 30-day reoperation, and length of hospital stay (LOS) between normonatremic and hypontremic TKA patients.The American College of Surgeons National Surgical Quality Improvement Program database was used to identify all primary TKA procedures. Hyponatremia was defined as <135 mEq/L and normonatremia as 135 to 145 mEq/L; hypernatremic patients (>145 mEq/L) were excluded. Multivariable logistic regression was used to determine the association between hyponatremia and outcomes after adjusting for demographics and comorbidities. An α level of 0.002 was used and calculated using the Bonferroni correction. Our final analysis included 88,103 patients of which 3,763 were hyponatremic and 84,340 were normonatremic preoperatively. In our multivariable models, hyponatremic patients did not have significantly higher odds of experiencing an MM (odds ratio [OR]: 1.05; 99% confidence interval [CI] 0.93–1.19) or readmission (OR: 1.12; 99% CI: 1–1.24). However, patients with hyponatremia did experience significantly greater odds for reoperation (OR: 1.24; 99% CI: 1.05–1.46) and longer hospital stay (OR: 1.15; 99% CI: 1.09–1.21). We found that hyponatremic patients undergoing TKA had increased odds of reoperation and prolonged hospital stay. Preoperative hyponatremia may be a modifiable risk factor for adverse outcomes in patients undergoing TKA, and additional prospective studies are warranted to determine whether preoperative correction of hyponatremia can prevent complications.
Kleinvieh macht auch Mist
Authors: Kämper Siegfried 
Published: April 2018

SummaryEin Patient kann die Kosten für bestimmte Heilpraktikerleistungen (teilweise) erstattet bekommen, wenn er beihilfeberechtigt oder entsprechend privat- oder zusatzversichert ist. Die Kostenträger erstatten Kosten für Heilpraktikerleistungen in der Regel entsprechend der Preisspanne, die im Gebührenverzeichnis für Heilpraktiker aufgeführt ist. Das GebüH stammt von 1985 und listet vor allem klassische Naturheilverfahren, weil diese damals bereits als Heilpraktikerleistung etabliert waren.
Climate variability and crop yields synergies in Tanzania’s semiarid agroecological zone
Authors: Mkonda Msafiri Y. , He Xinhua 
Published: April 2018

ABSTRACT

Introduction:
The consequences of climate change have been considerably high to smallholders in most of Sub-Saharan Africa. These impacts have been more enormous to crop production and other attached livelihoods. However, the comprehensive assessment of these impacts has suffered numerous challenges because crop productivity is also susceptible to other factors involved in the production process. This study aimed to understand how crop yields are affected by climate change in the semiarid zone of Tanzania. The findings would establish a thorough literature within smallholder adaptation in the area. Furthermore, they will intensify strategies to cope with reduced yields attributed by climate-change impacts.

Outcomes:
There has been a dramatic decrease in rainfall (R
2
= 0.21) and increase in temperature (R
2
= 0.30). In addition, we found that rainfall and temperature variability had positive (R
2
~ 0.5) and negative (R
2
~ 0.3) correlations with crop yields, respectively.

Discussion:
The decline in yields at both local and national levels elevated the magnitude of food shortage and poverty. The increasing climate impacts necessitate undertakings of various studies to plan, design, recommend, and implement various useful adaptation measures, especially in the vulnerable communities.

Conclusion:
To limit climate effects, we need to increase investments in adaptation and mitigation measures.
Investigation of the structural, optical and piezoelectric properties of ALD ZnO films on PEN substrates
Authors: Blagoev B S , Aleksandrova M , Terziyska P , Tzvetkov P , Kovacheva D , Kolev G , Mehandzhiev V , Denishev K , Dimitrov D 
Published: April 2018

Abstract
We present the results of studies on the structural, optical and piezoelectric properties of ZnO thin films deposited by ALD on flexible polyethylene naphthalate (PEN) substrates. Changes were observed in the optical transmission and crystal structures as the deposition temperature was varied. The electromechanical behavior, dielectric losses and voltage generated from ZnO flexible devices were investigated and discussed, in order to estimate their suitability for potential application as microgenerators activated by human motion.
Presidential Address National Academy of Neuropsychology Conference Boston 2017
Authors: Meyers John E 
Published: April 2018

Abstract
This presidential address attempts to predict the future directions of neuropsychology. Predicting the future is always a difficult thing. By examining population trends such as aging and demographics, a clearer picture becomes visible. The population is getting older and more ethnically diverse. Also, examination of the spending trends in health care indicates that neuropsychology needs to be able to adapt to working with larger population-based patient care as well as individual patient care. Shifts in the demographics of neuropsychology, in that the profession previously was 70% male dominate and now is &gt;70% female dominant are also discussed. Trends in NAN’s speaker and leader demographics are examined as well as the need to stay current in the trends and latest neuropsychological research lest we become dinosaurs in the next 5–10 years. Recommendations for new neuropsychologists and post-doctoral fellows are also presented.
JAMI: fast computation of conditional mutual information for ceRNA network analysis
Authors: Hornakova Andrea , List Markus , Vreeken Jilles , Schulz Marcel H 
Published: April 2018

Abstract

Motivation
Genome-wide measurements of paired miRNA and gene expression data have enabled the prediction of competing endogenous RNAs (ceRNAs). It has been shown that the sponge effect mediated by protein-coding as well as non-coding ceRNAs can play an important regulatory role in the cell in health and disease. Therefore, many computational methods for the computational identification of ceRNAs have been suggested. In particular, methods based on Conditional Mutual Information (CMI) have shown promising results. However, the currently available implementation is slow and cannot be used to perform computations on a large scale.

Results
Here, we present JAMI, a Java tool that uses a non-parametric estimator for CMI values from gene and miRNA expression data. We show that JAMI speeds up the computation of ceRNA networks by a factor of ∼70 compared to currently available implementations. Further, JAMI supports multi-threading to make use of common multi-core architectures for further performance gain.

Requirements
Java 8.

Availability and implementation
JAMI is available as open-source software from https://github.com/SchulzLab/JAMI.

Supplementary information
Supplementary data are available at Bioinformatics online.