bluuebunny/crossref_metadata_2025 huggingface dataset:
Case studies in automatic modelling of thrombin, alpha-lactalbumin and other proteins, and implications for drug design
Authors: Platt E. , Robson B.
Published: May 2019

Synopsis:

In order to investigate and demonstrate objective modelling of proteins as a basis for drug design, we have sought to model several proteins in particularly persuasive circumstances. This is either (a) by filing the results of the model with an independent institution prior to X-ray determination of their structure, or (b) by using wholly automatic, general and reproducible methods, or (c) most often by both. Results suggest the ability to predict the core of the protein to an accuracy of about 1 Å rms deviation between predicted and experimental all-atom coordinates, and of surface loops in the range 1-4 Å rms deviation. Although the upper end of the latter scale seems disturbing, it turns out that many of the surface loops show such large variations for the same protein as studied by different crystallographic groups, particularly when no common protein is used as a starting point for refinement in both cases. Recognising the dynamic nature of some loops on enzymes, and including in the calculation the ability to handle dynamics over long timescales, allows analysis and refinement of enzyme inhibitors as pharmaceuticals. Here we analyse these aspects, particularly by reference to X-ray crystallography data.
The Political Economy of Water Quality Protection from Agricultural Chemicals
Authors: Abler David G. , Shortle James S.
Published: May 2019

Growing evidence of surface-water and groundwater contamination has led to demands for federal and state water quality protection policies. Agriculture will be an important target of such policies. Numerous instances of surface-water and groundwater contamination by pesticides and fertilizers have been recorded, and one study estimates that the drinking water of 50 million people in the U.S. is potentially contaminated by agricultural chemicals (Hallberg, Nielsen and Lee).
Narcolepsy, a “sleeping disorder”?
Authors: Verhoeven W.M.A.
Published: May 2019

The narcoleptic syndrome in its most specific way is characterized by a set of clinical symptoms, including cataplexy, irresistable sleep episodes, hypnagogic hallucinations and sleepparalysis; the syndrome has been defined by the association of excessive day-time somnolence and REM-sleep abnormalities. In principle, anamnestic information is sufficient to establish the clinical diagnosis, although neuro-physiological and biochemical data(CSF monoamine metabolites and HLA-typology) are sometimes needed to support the diagnostic procedure. Treatment of excessive daytime somnolence is still primarily based upon CNS stimulants, while treatment of cataplexy and related symptoms rests on antidepressants with a primarily serotonergic mode of action.
Postdexamethason intact and multisequentia ACTH in melancholia
Authors: Maes M. , Vandervorst C. , Suy E. , Martin M. , Minner B. , Blockx P. , Raus J.
Published: May 2019

The dexamethasone suppression test has been carried out in 111 depressed inpatients. Fasting, 8 a.m. plasma levels of Cortisol and adrenocorticotropic hormone (ACTH) were determined before and after administration of 1 mg dexamethasone. In 64 subjects multisequential (1-17,1-24,1-39) ACTH, and in 47 subjects intact (1-39) ACTH has been determined. Patients with melancholia exhibited significantly higher postdexamethasone Cortisol and intact ACTH values as compared with minor and simple major depressives. Severity of illness was significantly and positively related to postdexamethasone intact ACTH - but not to multisequential ACTH. Cortisol nonsuppressors showed higher postdexamethasone (only intact) ACTH values than Cortisol suppressors. Both postdexamethasone ACTH values were significantly and positively related with the postdexamethasone Cortisol values. We have established that Cortisol nonsuppression during melancholia is determined by an augmented escape of ACTH from suppression by dexamethasone. Intact ACTH showed the most significant clinical relevance for depression and Cortisol nonsuppression. In the clinical practice we advize the use of postdexamethasone intact ACTH in stead of plasma Cortisol or multisequential ACTH.
Impaired Recognition of Negative Facial Emotions in Body Dysmorphic Disorder
Authors: Grace Sally A. , Toh Wei Lin , Buchanan Ben , Castle David J. , Rossell Susan L.
Published: May 2019

Objectives: Patients with body dysmorphic disorder (BDD) have difficulty in recognising facial emotions, and there is evidence to suggest that there is a specific deficit in identifying negative facial emotions, such as sadness and anger. Methods: This study investigated facial emotion recognition in 19 individuals with BDD compared with 21 healthy control participants who completed a facial emotion recognition task, in which they were asked to identify emotional expressions portrayed in neutral, happy, sad, fearful, or angry faces. Results: Compared to the healthy control participants, the BDD patients were generally less accurate in identifying all facial emotions but showed specific deficits for negative emotions. The BDD group made significantly more errors when identifying neutral, angry, and sad faces than healthy controls; and were significantly slower at identifying neutral, angry, and happy faces. Conclusions: These findings add to previous face-processing literature in BDD, suggesting deficits in identifying negative facial emotions. There are treatment implications as future interventions would do well to target such deficits.
AXISYMMETRIC PLUMES IN VISCOUS FLUIDS
Authors: ALLWRIGHT EMMA J. , FORBES L. K. , WALTERS S. J.
Published: May 2019

We consider fluid in a channel of finite height. There is a circular hole in the channel bottom, through which fluid of a lower density is injected and rises to form a plume. Viscous boundary layers close to the top and bottom of the channel are assumed to be so thin that the viscous fluid effectively slips along each of these boundaries. The problem is solved using a novel spectral method, in which Hankel transforms are first used to create a steady-state axisymmetric (inviscid) background flow that exactly satisfies the boundary conditions. A viscous correction is then added, so as to satisfy the time-dependent Boussinesq Navier–Stokes equations within the fluid, leaving the boundary conditions intact. Results are presented for the “lazy” plume, in which the fluid rises due only to its own buoyancy, and we study in detail its evolution with time to form an overturning structure. Some results for momentum-driven plumes are also presented, and the effect of the upper wall of the channel on the evolution of the axisymmetric plume is discussed.
Comparison between hypo-fractionated dose-escalated volumetric modulated arc therapy and conventional concurrent chemo-radiation in locally advanced head and neck cancer: a pilot study
Authors: Saad Ehab , Radwan Riham Hani , Hadi Eman Abdel
Published: May 2019

Objective:

In the treatment of locally advanced head and neck cancer (LA-HNC), both dose escalation and hypo-fractionation can improve tumour control rates with uncertain role of addition of concurrent chemotherapy. We aimed at developing a new radiotherapy protocol for patients not eligible to receive the standard concurrent chemo-radiation therapy (CCRT) with little toxicity profile.

Methods:

A total of 63 LA-HNC patients were randomised to receive either: 70 Gy in 35 fx in 7 weeks concurrently with cisplatin 100 mg/m2 every 3 weeks for 3 doses (Arm A) or 74 Gy in 33 fx in 6·5 weeks (Arm B). Volumetric modulated arc therapy plans were created for both treatment arms. We compared the local control (LC), progression-free survival (PFS), overall survival (OS) and acute and late toxicity between the two arms.

Results:

A total of 33 patients were in Arm A versus 30 patients in Arm B with median follow-up 24·2 months. No significant differences in LC, PFS and OS between the two arms. Complete remission occurred in 54·5 and 63·3% of patients in Arms A and B, respectively. All toxicities were significantly less in Arm B than Arm A.

Conclusion:

Slightly dose-escalated hypo-fractionated regimen is safe and feasible and has comparable efficacy and less acute and late side effects than conventional dose CCRT with avoidance of chemotherapy-related toxicities in LA-HNC patients.
Verschiedene sozioökonomische Faktoren als Prädiktoren für internalisierende und externalisierende Störungsbilder des Kindes- und Jugendalters
Authors: Besser Anna , Döhnert Mirko , Stadelmann Stephanie
Published: May 2019

Zusammenfassung. Fragestellung: Der sozioökonomische Status (SES) stellt einen wichtigen Risikofaktor für psychische Störungen im Kindes- und Jugendalter dar. In der Forschung werden unterschiedliche SES-Parameter verwandt. Ziel der vorliegenden Arbeit ist es, den prädiktiven Wert unterschiedlicher SES-Einzelfaktoren und deren Kombination bezüglich internalisierender und externalisierender Störungsbilder im Kindes- und Jugendalter zu prüfen. Methodik: Untersucht wurden n = 381 8- bis 14-jährige Kinder und Jugendliche, die an Kinder- und Jugendpsychiatrien und aus der Bevölkerung rekrutiert wurden. Es erfolgte eine diagnostische Gruppenzuordnung mittels diagnostischem Elterninterview (K-SADS-PL) in eine Probandengruppe mit rein internalisierenden und rein externalisierenden Störungen sowie in eine Gruppe gesunder Kontrollprobanden. Die sozioökonomischen Daten beider Eltern wurden anhand eines Fragebogens erhoben. Bildung, Berufsstatus und Einkommen wurden als Einzelfaktoren und kombiniert als SES-Index einbezogen. Zusätzlich wurde Arbeitslosigkeit erfragt. Ergebnisse: In multivariaten Analysen, kontrolliert für Alter und Geschlecht, erwiesen sich alle Einzelfaktoren als signifikante Risikofaktoren für internalisierende und externalisierende Störungen. Von den Einzelfaktoren erwies sich der Berufsstatus als bedeutsamster Prädiktor. Die Varianzaufklärung des SES-Index war genauso hoch wie für den Berufsstatus. Die Arbeitslosigkeit leistete bei gleichzeitiger Berücksichtigung des Gesamt-SES keine zusätzliche Varianzaufklärung. Schlussfolgerungen: Zukünftige Studien, die den SES als Risikofaktor erfassen, sollten einen SES-Index oder als SES-Einzelfaktor den Berufsstatus nutzen. Die Arbeitslosigkeit muss nicht zwingend zusätzlich erfasst werden.
Statistical Properties of Hiss in Plasmaspheric Plumes and Associated Scattering Losses of Radiation Belt Electrons
Authors: Zhang Wenxun , Ni Binbin , Huang He , Summers Danny , Fu Song , Xiang Zheng , Gu Xudong , Cao Xing , Lou Yuequn , Hua Man
Published: May 2019

Whistler mode hiss acts as an important loss mechanism contributing to the radiation belt electron dynamics inside the plasmasphere and plasmaspheric plumes. Based on Van Allen Probes observations from September 2012 to December 2015, we conduct a detailed analysis of hiss properties in plasmaspheric plumes and illustrate that corresponding to the highest occurrence probability of plumes at L = 5.0–6.0 and MLT = 18–21, hiss emissions occur concurrently with a rate of >~80%. Plume hiss can efficiently scatter ~10‐ to 100‐keV electrons at rates up to ~10−4 s−1 near the loss cone, and the resultant electron loss timescales vary largely with energy, that is, from less than an hour for tens of kiloelectron volt electrons to several days for hundreds of kiloelectron volt electrons and to >100 days for >5‐MeV electrons. These newly obtained statistical properties of plume hiss and associated electron scattering effects are useful to future modeling efforts of radiation belt electron dynamics.
Toward the Ultrasonic Sensing of Organic Carbon in Seagrass‐Bearing Sediments
Authors: Venegas G. R. , Rahman A. F. , Lee K. M. , Ballard M. S. , Wilson P. S.
Published: May 2019

Ten percent of all organic carbon (Corg) absorbed by the ocean each year is stored in seagrass‐bearing sediments. The preservation of these carbon stores is considered a vital method to mitigate climate change. Seagrass‐bearing sediments have been correlated with sediment geophysical properties yet have not been related to sediment acoustic properties. For this purpose, sediment cores were collected from a Thalassia testudinum seagrass meadow in South Texas, USA, where geophysical, acoustical, and Corg properties were measured. It is hypothesized that when deposits of Corg adsorb onto mineral surfaces and are stored in pore spaces, compliant layers between grain contacts and the formation of an organic‐rich suspension reduce sediment stiffness. Results from this seagrass meadow demonstrated a strong correlation between sediment P wave modulus and Corg and show promise toward the development of an in situ ultrasonic sediment probe to more rapidly quantify and monitor seagrass carbon stores.
On a Class of Integrals Useful to Solve Well‐Type Flows in Heterogeneous Porous Formations
Authors: Severino Gerardo , Cuomo Salvatore
Published: May 2019

We provide analytical (closed form) expression for a class of integrals that frequently arise into modeling well‐type flows through heterogeneous porous formations. In particular, these integrals are encountered when ensemble (second‐order) moments of the flow variables are computed by means of a perturbation approach that regards the variance 
of the random field 
(being K the hydraulic conductivity) as a small parameter.
The genome resources for conservation of Indo-Pacific humpback dolphin, Sousa chinensis
Authors: Ming Yao , Jian Jianbo , Yu Xueying , Wang Jingzhen , Liu Wenhua
Published: May 2019

The Indo-Pacific humpback dolphin (Sousa chinensis), is a threatened marine mammal and belongs to the First Order of the National Key Protected Wild Aquatic Animals List in China. However, limited genomic information is available for studies of its population genetics and biological conservation. Here, we have assembled a genomic sequence of this species using a whole genome shotgun (WGS) sequencing strategy after a pilot low coverage genome survey. The total assembled genome size was 2.34 Gb: with a contig N50 of 67 kb and a scaffold N50 of 9 Mb (107.6-fold sequencing coverage). The S. chinensis genome contained 24,640 predicted protein-coding genes and had approximately 37% repeated sequences. The completeness of the genome assembly was evaluated by benchmarking universal single copy orthologous genes (BUSCOs): 94.3% of a total 4,104 expected mammalian genes were identified as complete, and 2.3% were identified as fragmented. This newly produced high-quality assembly and annotation of the genome will greatly promote the future studies of the genetic diversity, conservation and evolution.
Exploring Collagen Parameters in Pure Special Types of Invasive Breast Cancer
Authors: Natal Rodrigo de Andrade , Paiva Geisilene R. , Pelegati Vitor B. , Marenco Ludwing , Alvarenga César A. , Vargas Renato F. , Derchain Sophie F. , Sarian Luis O. , Franchet Camille , Cesar Carlos L. , Schmitt Fernando C. , Weigelt Britta , Vassallo José
Published: May 2019

One of the promising tools to evaluate collagen in the extracellular matrix is the second-harmonic generation microscopy (SHG). This approach may shed light on the biological behavior of cancers and their taxonomy, but has not yet been applied to characterize collagen fibers in cases diagnosed as invasive breast carcinoma (BC) of histological special types (IBC-ST). Tissue sections from 99 patients with IBC-ST and 21 of invasive breast carcinoma of no special type (IBC-NST) were submitted to evaluation of collagen parameters by SHG. Tissue microarray was performed to evaluate immunohistochemical-based molecular subtype. In intratumoral areas, fSHG and bSHG (forward-SHG and backward-SHG) collagen parameters achieved their lowest values in mucinous, papillary and medullary carcinomas, whereas the highest values were found in classic invasive lobular and tubular carcinomas. Unsupervised hierarchical cluster analysis and minimal spanning tree using intratumoral collagen parameters allowed the identification of three main groups of breast cancer: group A (classic invasive lobular and tubular carcinomas); group B (IBC-NST, metaplastic, invasive apocrine and micropapillary carcinomas); and group C (medullary, mucinous and papillary carcinomas). Our findings provide further characterization of the tumor microenvironment of IBC-ST. This understanding may add information to build more consistent tumor categorization and to refine prognostication.
A chiral switch: balancing between equilibrium and non-equilibrium states
Authors: Baglai Iaroslav , Leeman Michel , Kaptein Bernard , Kellogg Richard M. , Noorduin Willem L.
Published: May 2019

Herein we introduce a “chiral switch” – a sequence of operations that alternate between equilibrium and non-equilibrium conditions to switch the absolute configuration of a chiral center. The generality and practical potential of the technique are demonstrated with three unnatural α-amino acid precursors.
Tuning the magnetism of two-dimensional hematene by ferroelectric polarization
Authors: Chen Dong , Zhang Guangbiao , Sun Wei , Li Jingyu , Cheng Zhenxiang , Wang Yuanxu
Published: May 2019

We demonstrate a powerful scheme to realize robust control of magnetism in two-dimensional (2D) hematene/BaTiO3 heterostructure. Not only magnetism switching but also spin-polarized 2D electron gas is created by switching of the polarization. The results point the direction of the further development of the research field of electric field controlling magnetism.
Understanding structural flexibility of the paddle-wheel Zn-SBU motif in MOFs: influence of pillar ligands
Authors: Ryzhikov Maxim R. , Kozlova Svetlana G.
Published: May 2019

The flexibility regions for paddle-wheel Zn-SBU with different pillar ligands were determined by potential energy surface scan.
The formation of a 1,4-disilabenzene and its isomerization into a disilabenzvalene derivative
Authors: Sugahara Tomohiro , Sasamori Takahiro , Tokitoh Norihiro
Published: May 2019

A stable 1,4-disilabenzene was generated from the reaction of a stable disilyne with 3-hexyne.
Redox chemistry of CeO2nanoparticles in aquatic systems containing Cr(vi)(aq) and Fe2+ions
Authors: Ray Jessica R. , Wu Xuanhao , Neil Chelsea W. , Jung Haesung , Li Zhichao , Jun Young-Shin
Published: May 2019

CeO2nanoparticles are extensively used in industrial applications owing to their high redox-catalytic activities and, as a result, may appear in aquatic environments where they undergo significant surface chemistry transformation with other redox-active species.
Effects of organic matter on uptake and intracellular trafficking of nanoparticles in Tetrahymena thermophila
Authors: Wang Xiangrui , Liang Dingyuan , Wang Ying , Ma Qingquan , Xing Baoshan , Fan Wenhong
Published: May 2019

Proteins could highly affect the uptake and intracellular trafficking of nanoparticles, which depends on the interaction between nanoparticles and proteins.
Cascade utilization of lignocellulosic biomass to high-value products
Authors: Liu Yanrong , Nie Yi , Lu Xingmei , Zhang Xiangping , He Hongyan , Pan Fengjiao , Zhou Le , Liu Xue , Ji Xiaoyan , Zhang Suojiang
Published: May 2019

Sustainable and effective methods for biomass pretreatment and biomass cascade utilization are reviewed in this work.
A laboratory-based double X-ray spectrometer for simultaneous X-ray emission and X-ray absorption studies
Authors: Błachucki Wojciech , Czapla-Masztafiak Joanna , Sá Jacinto , Szlachetko Jakub
Published: May 2019

A newly developed laboratory-based double X-ray spectrometer enables systematic and simultaneous X-ray emission (XES) and X-ray absorption (XAS) measurements.
Magnetic tuning of SERS hot spots in polymer-coated magnetic–plasmonic iron–silver nanoparticles
Authors: Scaramuzza Stefano , Polizzi Stefano , Amendola Vincenzo
Published: May 2019

Dynamic electromagnetic hot spot formation was studied in magnetic–plasmonic Ag–Fe nanoparticles obtained by laser ablation in liquid and coated with polymers to confer colloidal stability.
Low-temperature activation of carbon black by selective photocatalytic oxidation
Authors: Ostyn Niels R. , Steele Julian A. , De Prins Michiel , Sree Sreeprasanth Pulinthanathu , Chandran C. Vinod , Wangermez Wauter , Vanbutsele Gina , Seo Jin Won , Roeffaers Maarten B. J. , Breynaert Eric , Martens Johan A.
Published: May 2019

Carbon black is chemically activated by selective TiO2 photocatalytic oxidation functionalizing the graphitic carbon fraction, while mineralizing amorphous carbon.
Syntheses, characterization, DNA/BSA binding, and in vitro cytostatic activity of fluorobenzenetelluronic triorganotin(iv) esters
Authors: Chen Shuai , Nie Jia-Jia , Wang Shuo , Li Qian-Li , Zhang Ru-Fen , Li Yong-Xin , Ma Chun-Lin
Published: May 2019

A new series of fluorobenzenetelluronic triorganotin(iv) esters (1–6) have been synthesized by the reaction of deprotonated fluorobenzenetelluronic acid ligands and the corresponding R3SnCl (R = Me, Ph).
Spiropyran-based photoswitchable dimethylaminopyridine
Authors: Zhou Tao , Li Zhihao , Wang Jiaobing
Published: May 2019

A dimethylaminopyridine-embedded spiropyran compound switches its coordination capability under light.
Robust synthesis of C-terminal cysteine-containing peptide acids through a peptide hydrazide-based strategy
Authors: Zuo Chao , Yan Bing-Jia , Zhu Han-Ying , Shi Wei-Wei , Xi Tong-Kuai , Shi Jing , Fang Ge-Min
Published: May 2019

A simple-to-operate and highly efficient strategy for the epimerization-free synthesis of C-terminal Cys-containing peptide acids, which avoids the use of derivatization reagents for resin modification, is developed.
Stimuli responsive aggregation-induced emission of bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene single crystals
Authors: Kazantsev Maxim S. , Sonina Alina A. , Koskin Igor P. , Sherin Peter S. , Rybalova Tatyana V. , Benassi Enrico , Mostovich Evgeny A.
Published: May 2019

BFMPT crystals demonstrate stimuli-responsive and conformation-dependent aggregation-induced emission.
Organocatalytic enantioselective direct vinylogous Michael addition of γ-substituted deconjugate butenolides to azadienes
Authors: Lin Wei , Lin Xiao , Cheng Yuyu , Chang Xiaoyong , Zhou San , Li Pengfei , Li Wenjun
Published: May 2019

The diastereoselective and enantioselective direct vinylogous Michael addition of γ-substituted β,γ-unsaturated γ-lactones to 2-arylidene-N-tosylbenzofuran-3(2H)-imines has been achieved with the aid of a quinine-derived squaramide.
Potential protective effects of bilirubin following the treatment of neonatal hypoxic-ischemic encephalopathy with hypothermia therapy
Authors: Zou Liangyan , Yuan Hao , Liu Qing , Lu Chunmei , Wang Laishuan
Published: May 2019

Background: Therapeutic hypothermia (TH) is the standard therapy for hypoxic-ischemic encephalopathy (HIE) and is associated with a wide range of physiological changes. Objective: We re-evaluated the effects of HIE and TH on bilirubin measurements following HIE in a center involved in the China cooling randomized controlled trial (RCT). Methods: Serial serum bilirubin concentrations measured during the first week of life were compared among the HIE + NT (normothermia) group, HIE + TH treatment group and control group (without HIE). Survivors of HIE were followed and assessed at approximately 2 years of age, and the results were correlated with peak bilirubin levels during the first week of life. Results: One hundred and thirty-eight infants were available for analysis. Significantly lower bilirubin levels were recorded in the HIE + NT group than in the controls (P<0.05). Significant differences were not observed among the patients in the HIE + NT group (mild to severe) or between the HIE + TH group and the HIE + NT group at any time point (P>0.05). The peak serum bilirubin concentrations recorded at 96 h of age showed a good correlation with the results of the Bayley Scales of Infant and Toddler Development, third edition (BSID-III) (P=0.02). Conclusion: Bilirubin potentially exerts a neuroprotective effect during the first week of life, and low temperature does not affect the possible antioxidant function of bilirubin during TH following HIE.
Analytical maximum torque per volt control strategy of an interior permanent magnet synchronous motor with very low battery voltage
Authors: Sanz Alberto , Oyarbide Estanis , Gálvez Rubén , Bernal Carlos , Molina Pilar , San Vicente Igor
Published: May 2019

The operation of an interior permanent magnet synchronous motor included in an electric power steering system is related to two demanding requirements: (i) the low‐voltage DC source pushes the motor to a deep flux weakening region, and (ii) the motor is so optimised that it can withstand only few cycles at nominal torque. Owing to that, maximum torque per ampere (MTPA) and maximum torque per volt (MTPV) current reference generation strategies are common in this type of application. Most of the published MTPA or MTPV strategies are applied to standard voltage motors, so stator resistance is typically neglected, leading to simpler equations. Other works consider the stator resistance but, as the resulting equations are complex, look‐up tables or numerically adjusted polynomials are employed in current generation tasks. This work presents analytical expressions allowing the exact computing of current references. These expressions include stator resistances. The battery voltage is considered as an input variable, together with motor speed and reference torque, and direct and quadrature current references are the output variables. Contrary to look‐up tables or numerically adjusted polynomials, the proposed expressions can take into account any parameter variation during real‐time operation. Simulation and experimental results validate the proposed approach.
Evolution of the gravity offset of mixed modes in RGB stars
Authors: Pinçon C. , Takata M. , Mosser B.
Published: May 2019

Context.Observations of mixed modes in evolved low-mass stars enable us to probe the properties of not only the outer envelope of these stars, but also their deep layers. Among the seismic parameters associated with mixed modes, the gravity offset, denoted withεg, is expected to reveal information on the boundaries of the inner buoyancy resonant cavity. This parameter was recently measured for hundreds of stars observed by theKeplersatellite and its value was shown to change during evolution.

Aims.In this article, we theoretically investigate the reasons for such a variation in terms of structure properties, focusing only on the red giant branch.

Methods.Using available asymptotic analyses and a simple model of the Brunt–Väisälä and Lamb frequencies in the upper part of the radiative zone, we derived an analytical expression ofεgfor dipolar modes and compared its predictions to observations.

Results.First, we show that the asymptotic value ofεgwell agrees with the mean value observed at the beginning of the ascent of the red giant branch, which results from the high density contrast between the helium core and the base of the convective envelope. Second, we demonstrate that the predicted value also explains the sharp decrease inεgobserved for the more luminous red giant stars of the sample. This rapid drop turns out to occur just before the luminosity bump and results from the kink of the Brunt–Väisälä frequency near the upper turning point associated with the buoyancy cavity as stars evolve and this latter nears the base of the convective envelope. The potential ofεgto probe the value and slope of the Brunt–Väisälä frequency below the base of the convective region is clearly highlighted.

Conclusions.The observed variation inεgand its link with the internal properties on the red giant branch are now globally understood. This work motivates further analyses of the potential of this parameter as a seismic diagnosis of the region located between the hydrogen-burning shell and the base of the convective envelope, and of the local dynamical processes associated for instance with core contraction, the migration of the convective boundary, or overshooting.
Outcomes of hip arthroscopy for femoroacetabular impingement: The effect of morphological type and chondrolabral damage
Authors: Said Hatem Galal , Masoud Mohammad A. , Morsi Mohamed Mohamed Abdel-Hamid , El-Assal Maher A.
Published: May 2019

Introduction: Hip arthroscopy for treatment of femoroacetabular impingement (FAI) has shown significant pain and functional improvement. However, the differential outcome of each of the FAI morphological types in contrast to one another remains largely unknown. This study was conducted to detect a possible difference in outcome among different FAI types treated using hip arthroscopy.

Methods: In this prospective non randomized comparative study, after exclusion of non-FAI cases and cases with advanced arthritic changes, 90 hips in 85 patients that had hip arthroscopy for the treatment of FAI between 2011 and 2015 in our center were analyzed. The collected patient reported outcome measures (PROMs) included visual analog scale (VAS) of pain, the modified Harris hip score (mHHS), and the non arthritic hip score (NAHS) both preoperatively and at final follow-up. Patient satisfaction was collected at final follow-up. Postoperative PROMs were subjected to three main comparisons based on each of FAI type, labral procedure, and extent of cartilage damage. Repeat comparison based on FAI type after matching of exact chondrolabral condition was also attempted.

Results: Mean follow-up was 32.8 months (five patients lost from follow-up). There was a significant improvement in the overall PROMs. This improvement was significantly higher in the cam group in contrast to the mixed group. After matching for chondrolabral condition, this difference was consistent and more evident.

Discussion: The outcome of arthroscopic treatment of pure cam FAI is significantly better than that of mixed FAI. Matching of the same chondrolabral condition and repeating the comparison yields similar results.
Why do some probabilistic forecasts lack reliability?
Authors: Kubo Yûki
Published: May 2019

In this work, we investigate the reliability of the probabilistic binary forecast. We mathematically prove that a necessary, but not sufficient, condition for achieving a reliable probabilistic forecast is maximizing the Peirce Skill Score (PSS) at the threshold probability of the climatological base rate. The condition is confirmed by using artificially synthesized forecast–outcome pair data and previously published probabilistic solar flare forecast models. The condition gives a partial answer as to why some probabilistic forecast system lack reliability, because the system, which does not satisfy the proved condition, can never be reliable. Therefore, the proved condition is very important for the developers of a probabilistic forecast system. The result implies that those who want to develop a reliable probabilistic forecast system must adjust or train the system so as to maximize PSS near the threshold probability of the climatological base rate.
Obstipation auf Reisen – bewährte Indikationen
Authors: Bleul Gerhard
Published: May 2019

Homöopathische Differenzialdiagnose der Obstipation auf Reisen. Schnelle Mittelwahl aufgrund besonderer Charakteristika, Modalitäten und eventueller psychischer Begleitsymptome.
Die Rechtsfrage: Dürfen Schüler alleine therapieren und dokumentieren?
Authors: Bossow Karsten
Published: May 2019

„Ich absolviere meinen praktischen Einsatz in einer Rehaklinik. Dort werden Therapien teilweise an Auszubildende übertragen. In der Dokumentation erscheint lediglich unser Kürzel, ohne uns als Schüler zu kennzeichnen. Ist es rechtens, als Schülerin allein Therapien durchführen und sie zu dokumentieren?“

Therapeutin in Ausbildung via E-Mail
Prävention des Typ-2-Diabetes nach Schwangerschaftsdiabetes
Authors: Potzel Anne , Fritsche Andreas , Fritsche Louise , Müssig Karsten , van Gemert Theresa , Seißler Jochen , Lechner Andreas
Published: May 2019

Ein Schwangerschaftsdiabetes zeigt ein deutlich erhöhtes Risiko für die spätere Entwicklung eines Typ-2-Diabetes an 1. Eine gesundheitsfördernde Lebensweise kann dieses Risiko senken 2,3 ist aber für junge Mütter schwierig umzusetzen. Traditionelle Lebensstilberatung bleibt in dieser Gruppe meist erfolglos 4. Die Präventions-App TRIANGLE soll diese Versorgungslücke schließen.
Vom Risikotest zur Risikowahrnehmung
Authors: Schiborn Catarina , Mühlenbruch Kristin , Schulze Matthias B.
Published: May 2019

Mit dem Online-Tool des Deutschen Institutes für Ernährungsforschung Potsdam-Rehbrücke (DIfE) können interessierte Personen zur Selbstinformation ihr 5-Jahres-Risiko für Typ-2-Diabetes berechnen 1,2. Es ist bekannt, dass kommunizierte Gesundheitsrisiken abhängig von der verwendeten Darstellungsform zu unterschiedlichen Risikowahrnehmungen führen können. Das kann in Kombination mit anderen Einflussfaktoren zu einer Überschätzung oder auch Unterschätzung des tatsächlichen Risikos führen, was wiederum Auswirkungen auf die Aufnahme von möglicherweise notwendigen Präventionsmaßnahmen hat. Um das Risikoverständnis von Nutzern des Risiko-Tests systematisch zu untersuchen und die bisherige Ergebnisdarstellung mit einer alternativen erweiterten Darstellung, die den Risikoverlauf zeigt, zu vergleichen, wurde die DIRIKO-Studie entwickelt. Dabei werden Daten zur Risikowahrnehmung und möglichen Einflussfaktoren in Form eines anonymen Online-Fragebogens erhoben.
Synthesis of a C1–C12 Fragment of Gulmirecin B
Authors: Rengarasu Rathikrishnan , Maier Martin E.
Published: May 2019

The synthesis of a C1–C14 fragment of the macrolide antibiotic gulmirecin B through formation of the C7–C8 bond by addition of a vinyllithium intermediate to a C1–C7 aldehyde was investigated. This crucial coupling was successful with a vinyllithium reagent corresponding to a C8–C12 fragment. The C8–C12 vinyl bromide was prepared from l-malic acid. The C1–C7 aldehyde building block was synthesized from hex-5-enoic acid by using an Evans alkylation, a cross-metathesis, and an asymmetric dihydroxylation as key steps.
High-frequency dielectric characterization of electronic defect states in co-sputtered W-doped TiO2
Authors: Delegan N. , Teranishi T. , El Khakani M. A.
Published: May 2019

Tungsten-doped titanium dioxide (TiO2:W) has been reported to have increased photocatalytic performance as compared to undoped TiO2. The exact mechanism behind this has been debated. Consequently, the purpose of this work is twofold: (i) synthesize TiO2:W films with improved optoelectronic properties and (ii) refine the understanding of photocharge properties in tungsten-doped TiO2. An in situ radio frequency magnetron-sputtering deposition process was used to fabricate undoped (TiO2), oxygen deficient (TiO2-x), and tungsten-doped (TiO2:W) films with varying dopant levels. X-ray photoelectron spectroscopy measurements showed the presence of both WTi″ and WTix type dopants that led to significantly reduced oxygen vacancy (VO) densities. These observations were corroborated by X-ray diffraction analysis, which revealed that the improved stoichiometry resulted in a marked enhancement of the rutile phase as compared to the sub-stoichiometric (VO-doped) samples. Critically, high-frequency dielectric spectroscopy measurements revealed an optimal tungsten doping level of ∼2.5 at. %. This point showed the greatest tungsten induced reduction in the 2[TiIII]–[VO″] defect pair ɛ′ contribution, i.e., almost two orders of magnitude. Finally, this dielectrically observed reduction in VO was correlated to an increase in photocharge decay lifetimes. In other words, photocharge lifetimes increased in accordance with the reduction of VO defects brought on by tungsten doping.
Improving efficiency of traveling wave rotary ultrasonic motor by optimizing stator
Authors: Zhang Jiaojiao , Yang Lin , Ma Chengcheng , Ren Weihao , Zhao Chunsheng , Wang Feng
Published: May 2019

The application of ultrasonic motor (USM) has been seriously restricted by its relatively low efficiency. The energy loss caused by the radial sliding on the contact surface of the motor is considered as one of the major reasons for the low efficiency of USM. In this report, the solution is proposed to reduce the radial sliding by optimizing the stator comb-teeth of the traveling wave rotary ultrasonic motor (TWUSM). Theoretical analysis, simulation, and experiments were conducted in PMR60 type TWUSM (motor model) to verify the optimized method. The results indicate that the friction angle α, which represents the degree of radial sliding, can be efficiently reduced by chamfering the teeth on the stator of motor. The maximum efficiency of 44.3% is obtained in the modified motor of which the stator chamfer size is 1.0 mm × 45°, which is nearly two times higher than that of the nonmodified motor (25%). Therefore, it is a feasible and simple pathway to improve the efficiency of the USM.
Auger emission from the Coulomb explosion of helium nanoplasmas
Authors: Kelbg M. , Zabel M. , Krebs B. , Kazak L. , Meiwes-Broer K.-H. , Tiggesbäumker J.
Published: May 2019

The long-time correlated decay dynamics of strong-field exposed helium nanodroplets is studied by means of photoelectron spectroscopy. As a result of the adiabatic expansion of the laser-produced, fully inner-ionized nanoplasma, delocalized electrons in the deep confining mean field potential are shifted towards the vacuum level. Meanwhile, part of the electrons localize in bound levels of the helium ions. The simple hydrogenlike electronic structure of He+ results in clear signatures in the experimentally observed photoelectron spectra, which can be traced back to bound-free and bound-bound transitions. Auger electron emission takes place as a result of the transfer of transition energy to weakly bound electrons in the quasifree electron band. Hence, the spatial and temporal development of the nanoplasma cloud is encoded in the experimental spectra, whereas the electronic properties of He+ help resolve the different contributions.
Electric field induced manipulation of resistive and magnetization switching in Pt/NiFe1.95Cr0.05O4/Pt memory devices
Authors: Hao Aize , Jia Dianzeng , Ismail Muhammad , Huang Wenhua , Chen Ruqi , Bao Dinghua
Published: May 2019

In this letter, both resistive and magnetization switching were realized in Pt/NiFe1.95Cr0.05O4 (Cr-NFO)/Pt devices by the manipulation applied electric field process, where a Cr-NFO switching layer was prepared by a facile chemical solution process method. The Cr-NFO based devices exhibited stable unipolar switching behavior, uniform operating voltages, good endurance (>103 cycles), large ON/OFF memory window (>102), and excellent retention characteristic time (>105 s at 25 °C). Meanwhile, the saturation magnetization of Cr-NFO based devices showed reversible switching in different resistance states. The significant change between the high magnetization state and the low magnetization state could reach as high as ∼50% during resistive switching operation. The ON-OFF switching can be achieved at room temperature in resistive and magnetization switching. The proposed physical mechanism of resistive and magnetized switching of Cr-NFO based devices was related to the formation and rupture of conduction filaments consisting of oxygen vacancies and cations, which was based on the conversion of Fe (Fe3+ → Fe2+) and Cr (Cr3+ → Cr4+) valence change, redox reaction, and Joule heating effects. The coexistence of resistive and magnetization switching in ferrite thin film based devices has potential application in nonvolatile memory and magneto-electric coupling devices.
Radar resonance-enhanced multiphoton ionization for measurement of atomic oxygen in non-equilibrium pulsed plasmas
Authors: Gragston Mark , Sawyer Jordan , Adams Steven F. , Wu Yue , Zhang Zhili
Published: May 2019

In this work, coherent microwave Rayleigh scattering for the detection of resonance-enhanced multiphoton ionization (Radar REMPI) was used for the measurement of atomic oxygen in a nonequilibrium pulsed plasma discharge. Specifically, the detection of atomic oxygen is demonstrated in a pulsed discharge at 100 Torr in a molecular oxygen and helium gas mixture. REMPI was conducted using Nd:YAG pumped dye radiation at 618.9 nm mixed with the Nd:YAG 355 nm radiation, generating 225.6 nm laser light, of which two photons match the energy of the 2P33p(3P) electronically excited intermediate state of atomic oxygen. A third photon from the laser source then readily ionizes the atom in the 2 + 1 photon REMPI scheme. The Radar REMPI results are compared to two-photon absorption laser-induced fluorescence measurements from the literature, which shows reasonable agreement.
Random laser marked PLCD1 gene therapy effect on human breast cancer
Authors: Zhang Dingke , Wang Yu , Tang Jun , Mu Haixi
Published: May 2019

The utilization of laser spectroscopy has seen a dramatic increase in the past several decades and applications in experimental and theoretical development can be found at present in such areas as biomolecular research and medical practice. To verify the feasibility of a random sensitive means for marking the PLCD1 gene therapy effect on breast cancer, in this paper, the random lasing properties were studied in two groups of human breast xenograft tissues. Both coherent and incoherent random lasing regimes were observed from the AdHu5-EGFP group and the AdHu5-PLCD1 group, respectively. A question remains whether the tumor tissue sample receives PLCD1 gene therapy, and this issue becomes critical to the sample’s lasing spectrum performance. The inherent disorder of tumor breast tissues produces more light scatters randomly distributed in the tumor sample, resulting in coherent random lasing emission. Indeed, hematoxylin and eosin staining images attest to the fact that the spatial arrangement of the cells of the breast tumor exhibits more disorder and their organizational structure exhibits more irregularity than that of tumor tissues that receive PLCD1 therapy. Our studies pave the way for a random laser marked gene therapy for breast cancer.
Investigation of the π plasmon and plasmon-exciton coupling in titanium diselenide (TiSe2) by momentum-resolved electron energy loss spectroscopy
Authors: Shu Guo-Jiun , Zhou Yubing , Kao Meng-Yu , Klingshirn Christopher J. , Huang Michael R. S. , Huang Yi-Lin , Liang Yujia , Kuo W. C. H. , Liou Sz-Chian
Published: May 2019

In this work, π-plasmon dispersion and plasmon-exciton coupling in single-crystal 1T-TiSe2 along the ΓM¯ direction were investigated by using momentum (q)-resolved electron energy loss spectroscopy (EELS), ω-q map. Both the π plasmon at 7 eV and the π + σ plasmon at ∼19.7 eV were observed in the EELS spectrum. Furthermore, the π plasmon exhibits an unexpected dispersion behavior that transitions from a square root of q dependence (q1/2) to a quadratic dependence (q2) with increasing q values. A low energy excitation at ∼2.3 eV was also observed, which can be attributed to the plasmon-exciton coupling excitation mode (or plexciton) with a linear positive dispersion turning to negative dispersion by following the band structure along the ΓM¯ direction.
Control of circular cylinder flow via bilateral splitter plates
Authors: Gao Donglai , Huang Yewei , Chen Wen-Li , Chen Guanbin , Li Hui
Published: May 2019

We carry out wind tunnel investigations to study the flow of a circular cylinder modified with two rigid splitter plates hinged along its stagnation points. The equal-sized and symmetrically placed splitter plates are both parallel to the incoming airflow, and their single-sided length in the streamwise direction varies from 0 to 2.0D (where D is the cylinder diameter). The wind tunnel experiments are conducted at the Re of 3.33 × 104. In addition to bilaterally arranged plates, two other configurations of splitter plates, i.e., front-plate-only and rear-plate-only, are also investigated. By employing the sectional measurement of surface pressure in the midspan slice, we evaluate typical aerodynamic parameters, including pressure distribution, instantaneous drag and lift forces, frequency spectra of the unsteady lift forces, mean drag, and root-mean-square lift coefficients acting on the cylindrical test models. A particle image velocimetry (PIV) system is used to visualize and quantify the vortex shedding process and the dynamic interactions of the natural and modified cylinders. Experimental results of the surface pressure measurement and PIV measurement results are then combined to reveal the effects of rigid plates with different configurations (bilateral, front-only, and rear-only) on the circular cylinder flow.
Intermolecular distance and density scaling of dynamics in molecular liquids
Authors: Fragiadakis D. , Roland C.M.
Published: May 2019

A broad variety of liquids conform to density scaling: relaxation times can be expressed as a function of the ratio of temperature to density, the latter raised to a material constant γ. For atomic liquids interacting only through simple pair potentials, the exponent γ is very nearly equal to n/3, where n is the steepness of the intermolecular potential, while for molecular liquids having rigid bonds and built using the same interatomic potential, γ > n/3. We find that for this class of molecular liquids, γ = n/δ, where the parameter δ relates the intermolecular distance to the density along an isomorph (the line of approximately constant dynamics and structure). δ depends only on the molecular structure and not the interatomic potential.
clustermq enables efficient parallelization of genomic analyses
Authors: Schubert Michael
Published: May 2019

Motivation

High performance computing (HPC) clusters play a pivotal role in large-scale bioinformatics analysis and modeling. For the statistical computing language R, packages exist to enable a user to submit their analyses as jobs on HPC schedulers. However, these packages do not scale well to high numbers of tasks, and their processing overhead quickly becomes a prohibitive bottleneck.

Results

Here we present clustermq, an R package that can process analyses up to three orders of magnitude faster than previously published alternatives. We show this for investigating genomic associations of drug sensitivity in cancer cell lines, but it can be applied to any kind of parallelizable workflow.

Availability and implementation

The package is available on CRAN and https://github.com/mschubert/clustermq. Code for performance testing is available at https://github.com/mschubert/clustermq-performance.

Supplementary information

Supplementary data are available at Bioinformatics online.