bluuebunny/crossref_metadata_2025 huggingface dataset:
Résidus phytosanitaires dans les vins : état des lieux, analyses et expertise
Authors: Grinbaum M. , Dubernet M. , Bouazza V. , Debez E. , Lempereur V.
Published: February 2019

Protéger la vigne à l'aide d'une substance active phytosanitaire, qu'elle soit d'origine de synthèse ou naturelle, peut entraîner la présence de résidus de cette substance ou de ses produits de dégradation dans le raisin puis dans le vin. Ces résidus sont réglementés et autorisés à condition qu'ils ne dépassent pas les limites maximales de résidus (LMR) exprimées en mg/kg. On voit cependant apparaître sur le marché de plus en plus de labels ou de chartes exigeant le « zéro résidu » dans les vins. Des précisions sont apportées pour faciliter l'interprétation d'une analyse de résidus et la nécessité d'une expertise technique pour accompagner ces résultats. Un état des lieux des résidus retrouvés dans les vins est ensuite dressé. Il confirme que les teneurs quantifiées sont en très forte diminution par rapport aux dernières décennies. Aucun dépassement de LMR n'est constaté, les concentrations moyennes étant inférieures à 1% des LMR. Enfin, un focus est réalisé sur deux molécules fongicides qui sont régulièrement retrouvées dans les vins, y compris dans les vins biologiques, pouvant entraîner des déclassements par les organismes certificateurs. Plusieurs hypothèses sur des sources d'apports autres que phytosanitaires en ces molécules dans les vins sont présentées.
Knowledge of the characteristics and properties of wine before consumers
Authors: Dezengrini E.J.
Published: February 2019

The understanding of the satisfaction of wine consumers and the reasons why it is consumed presents a challenge, since there is not much research on this subject. For this reason, a consumer satisfaction survey was carried out to observe the relevant and determinant attributes related to the reasons why they drink wine. A total of 300 consumers, between 21 and 88 years old, were interviewed in the city of Cascavel, in the state of Paraná. It was noted that 57.67% of consumers reported as “important” or “very important” the fact that wine contributes to the prevention of heart diseases, a determining attribute when choosing wine, regardless of the side dishes. About 55% of the interviewees considered the fact that the wine is aromatic and fruity as “important” or “very important”. On the attribute indicating that wine is good to forget the problems, only 14.34% of consumers consider it “important” or “very important” at the time of the choice. The item response theory was observed to be an important tool to evaluate the level of satisfaction of wine consumers.
Pin to pin neutron flux reconstruction in a PWR reactor using support vector regression (SVR) technique
Authors: Neto W.F.P. , Alvim A.C.M. , Silva F.C. , Alvim L.G.M.
Published: February 2019

Coarse mesh nodal methods are widely used in the analysis of nuclear reactors. However, these methods provide only average values of the neutron fluxes. From a safety point of view, it is important to have an accurate analysis of the pin to pin flux distribution that nodal methods are not able to provide. Many articles have been published that make use of mathematical techniques to determine flux distributions. Most of these techniques use expansion functions to estimate these distributions. The expansion coefficients of these works are determined by conditions that take into account the average values of certain fluxes supplied by the nodal methods. There are also methods that employ analytical solutions of the neutron diffusion equation. This article presents a different approach for calculating the pin to pin neutron flux distribution for a PWR reactor. The developed method uses support vector regression (SVR) technique to determine this pin to pin neutron flux. The SVR technique uses average data computed with the Nodal Expansion Method (NEM) for learning purposes. A total of 70% of the computed data were used for training and 30% for validation, using multifold-cross-validation. Two fuel elements were removed from the training and validation sets, to test the method. Less than 2% errors were found when compared to the values ​​obtained by the nodal expansion method (NEM), using a fine-mesh spatial discretization. We concluded that use of SVR to reconstruct pin to pin fluxes is another option, which will be of great value in fuel reload calculations, since the same parameters will be applied to all cycles, thus expediting calculations when compared to standard procedure calculations.
Ready functions for calculating the Martian radiation environment
Authors: Guo Jingnan , Wimmer-Schweingruber Robert F. , Grande Manuel , Hannah Lee-Payne Zoe , Matthia Daniel
Published: February 2019

It is extremely important to understand and model the Martian radiation environment in preparation for future human missions to Mars, especially during extreme and elevated conditions such as an intense solar energetic particle (SEP) event. Such events may enhance the radiation level drastically and should be forecasted as soon as possible to prevent severe damage to humans and equipment. Besides, the omnipresent galactic cosmic rays (GCRs) also contribute significantly to the radiation in space and on the surface of Mars and may cause long-term damages to current and future missions. Based on GEANT4 Monte Carlo simulations with the Martian atmospheric and regolith environment setup, we have calculated and obtained some ready-to-go functions which can be used to quickly convert any given SEP or GCR proton/helium ion spectra to the radiation dose on the surface of Mars and also at different depth of the atmosphere. We implement these functions to the RADMAREE tool under the Europlanet project which can be easily accessed by the public.
Alarmierend hohe Rate saphenofemoraler Rezidive nach
endovenöser Lasertherapie
Authors: Mumme Achim , Mühlberger Dominik , Sidhwa Yazad , Hummel Thomas
Published: February 2019

Bei den endovenösen Verfahren zur Behandlung der Stammveneninsuffizienz wird auf
das Prinzip der Crossektomie verzichtet und es verbleibt nahezu regelhaft ein
Crossenstumpf. Bei der operativen Therapie ist dagegen die Crossektomie ein
unverzichtbarer Bestandteil des Behandlungskonzeptes und das Belassen eines
Crossenstumpfes gilt als Behandlungsfehler, der die Ausbildung von
Crossenrezidiven begünstigt. Im Bereich der Saphenacrosse gibt es daher momentan
kein einheitliches Behandlungsprinzip. Was bei dem einen Verfahren als
Therapieempfehlung gilt, ist bei dem anderen Verfahren ein Behandlungsfehler.
Vor diesem Hintergrund sind Langzeitergebnisse der konkurrierenden
Verfahrensweisen relevant. Insbesondere muss die Frage geklärt werden, ob die
Abkehr vom Prinzip der Crossektomie tatsächlich ohne Auswirkungen auf die
Rezidivrate ist.

In einer Literaturrecherche bei PubMed wurde nach prospektiven randomisierten
Studien (RCT) mit mindestens 5 Jahren Nachbeobachtungszeitraum gesucht, in denen
endovenöse Hitzeablationsverfahren mit der Crossektomie und Stripping-Operation
(C + S) verglichen wurden und in denen die duplexsonographische Erfassung von
Crossenrefluxen erfolgte. Das duplexsonographische Crossenrezidiv gilt als
Surrogatparameter für das später auftretende klinische Crossenrezidiv. Es wurden
insgesamt 7 RCTs identifiziert, in denen die o. g. Kriterien eingehalten wurden.
In 6 RCTs wurde die Lasertherapie (EVLA) untersucht und in einer Studie die
Radiowellentherapie. Zugunsten einer besseren Homogenität der Vergleichsgruppen
wurde die einzige Radiowellenstudie exkludiert, so dass ausschließlich EVLA-RCTs
eingeschlossen wurden. In keiner RCT war die Rate duplexsonographischer
Crossenrezidive nach EVLA niedriger als nach C + S. In einer Studie waren die
Rezidivraten gleich und in 5 Studien ergab sich ein Vorteil für die Operation.
In diesen RCTs war die Rate duplexsonographischer Crossenrezidive nach EVLA
1,7–5,6mal höher als nach Operation. Die Datenlage in RCTs mit mittelfristigem
Nachuntersuchungszeitraum deutet darauf hin, dass die Abkehr vom Prinzip der
Crossektomie zumindest bei der EVLA zulasten einer höheren Rate von
Crossenrezidiven geht. Angesichts der großen sozialmedizinischen Bedeutung des
Crossenrezidivs sind diese Zahlen alarmierend, da mit hohen Folgekosten für die
Behandlung der Rezidive gerechnet werden muss.
Möglichkeiten zur Rezidivprophylaxe in der
Varizenchirurgie
Authors: Frings N. , Brümmer L. , Prinz N. , Glowacki P. , Rass K.
Published: February 2019

Die hohe Crossenrezidivquote in der Varizenchirurgie führt zur Verpflichtung,
Maßnahmen zur Rezidivprophylaxe einzusetzen.

Durch diverse Barrieretechniken an der Crosse lässt sich die Refluxquote auf
Werte zwischen 1,5 und 3 % nach 2–5 Jahren bei einer Erstoperation reduzieren.
Die einfachsten Techniken stellen die Elektrokoagulation des
Crossenstumpfendothels mit Naht der Lamina cribrosa sowie die extensive
Crossektomie mit Stumpfübernaht dar. Dennoch kann das Crossenrezidiv nicht
völlig vermieden werden. Die Remodelling Hypothese zur Genese der Varikosis,
welche mit chronisch inflammatorischen Prozessen einhergeht sowie die weiteren
Faktoren, welche mit einem Crossenrezidiv assoziiert sind, spielen hier eine
bedeutsame Rolle. Es sollten somit zusätzlich zu den Barrieretechniken auch
nicht operative, antiinflammatorisch wirksame Maßnahmen in das
Behandlungsspektrum aufgenommen werden: Venenbewusste Lebensführung mit
Kompressionsstrümpfen, Vermeiden von langem Sitzen und Stehen,
Ausdauerbewegungen und bei Übergewicht Reduzierung des viszeralen Fettgewebes.
Studien zu dieser nicht operativen Form der Crossenrezidivprophylaxe fehlen
jedoch.
Die Chirurgie der Vena saphena parva – endoluminal oder
operativ
Authors: Stenger Dietmar , Hartmann Michael
Published: February 2019

Bislang existiert kein einheitlicher Standard in der operativen oder endovenösen
Therapie der Parvainsuffizienz. Daher ist eine direkte Vergleichbarkeit
operativer und endovenöser Verfahren bislang nur eingeschränkt möglich.
Insbesondere erschweren unterschiedliche Definitionen eines Rezidivs die
Vergleichbarkeit der unterschiedlichen Therapieoptionen. Prospektive
randomisierte Studien zu den Langzeitergebnissen fehlen. Aufgrund der schwachen
Datenlage sind grundsätzliche Empfehlungen für oder gegen die eine oder andere
Therapieoption derzeit nicht möglich. Dennoch gibt es in der täglichen Praxis
eindeutige Vorteile für die Operation oder für die endovenöse Therapie, auch
wenn entsprechende Vergleichsstudien fehlen. Die Rezidivraten sind sowohl bei
operativer- als auch bei endovenöser Behandlung hoch. Allerdings wird weder bei
der Operation, noch bei der endovenösen Therapie eine komplette Ausschaltung der
krankhaft veränderten Vene vorgenommen. Zukünftige Studien sollten klären,
inwieweit die komplette Ausschaltung der Parvacrosse mit Umsetzung des Prinzips
der Crossektomie zu einer Verbesserung der Ergebnisse beitragen kann.
Molecular Docking and 3D Qsar Studies of C000000956 as a Potent Inhibitor of Bace-1
Authors: Joseph Ogunleye Adewale , Babatomiwa Kikiowo , Niyi Adelakun , Olaposi Omotuyi , Olumide Inyang
Published: February 2019

Background BACE-1 is an aspartate protease that is responsible for the proteolysis of amyloid precursor proteins (APP) into beta-amyloid (Aβ), a neurotoxic peptide in patients with Alzheimer’s disease (AD). As such, BACE-1 is a prime pharmacological target in the control of Aβ in the brain and its inhibition will be a sound approach in AD therapy.

Methods The computational pipeline which comprised molecular docking (MD), Quantitative Structure Activity Relationship (QSAR) modelling and Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) studies enabled the prediction of molecular interaction and relative inhibitory potentials of the hit compound.

Results and Discussion The current study reports a naturally sourced small molecule inhibitor of BACE1 (C000000956) which was obtained through a computational pipeline. Also, pharmacological constraints such as pH dependent activity of the enzyme and blood brain barrier permeation which have been associated with the efficacy of previous BACE-1 inhibitors were well catered for. Our results suggest that orally delivered C000000956 is a potential small molecule inhibitor of BACE-1 which may find usefulness in AD-therapy.
Selectivity Control in Terpene Rearrangements: A Biomimetic Synthesis of the Halimanic Bicyclic Core
Authors: Sîrbu Tatiana , Girbu Vladilena , Harghel Petru , Rusu Vasile , Ungur Nicon , Kulciţki Veaceslav
Published: February 2019

The bicyclic core of the halimanic framework is synthesized in optically active form by an acid-induced rearrangement of a homo­drimanic epoxide. The substrate can follow two different pathways under acidic treatment. Using fluorosulfonic acid as a promoter at low temperature favors ring contraction to a perhydrindanic structure. In contrast, milder acids at higher temperatures bring about predominantly an angular methyl migration and formation of the halimanic bicyclic system. In particular, an acidic pillared clay selectively promoted this transformation.
Facile Synthesis of Onychines
Authors: Arita Mao , Yokoyama Soichi , Asahara Haruyasu , Nishiwaki Nagatoshi
Published: February 2019

The FeCl3-mediated condensation of an α-phenylenamino ester and an enone proceeds efficiently to afford a 2-phenylnicotinate. The subsequent intramolecular Friedel–Crafts reaction yielded an ­onychine framework. Modifications at the 2-, 3-, and 8-positions of the onychine framework were easily achieved by altering the enamino esters­ and enones, which facilitated the discovery of potentially bioactive compounds.
Synthesis and Characterization of Enantiopure Tribenzotriquinacene Dimers Bearing a Platinum-Diacetylene Unit
Authors: Xu Wen-Rong , Wang Xin-Rui , Chow Hak-Fun , Kuck Dietmar
Published: February 2019

A pair of enantiomerically pure metallodimers containing two deeply concave tribenzotriquinacene (TBTQ) units linked by a platinum-diacetylene unit were synthesized. Such linear metal-centered TBTQ dimers are considered as edges of metallosquares and metallocubes that bear four or eight mutually syn-oriented TBTQ bowls at their tips, respectively. The structures of the metallodimers were characterized by 1H, 13C and 31P NMR spectroscopy, ESI mass spectrometry, and circular dichroism. The single X-ray crystal structure of (+)-enantiomer confirmed the absolute configuration of the metallodimers and revealed an edge (tip-to-tip) length of 18.456 Å and an approximated syn-orientation of the two TBTQ bowls in the solid state.
Copper-Catalyzed N-Arylation of Sulfoximines with Arylboronic Acids under Mild Conditions
Authors: Gupta Surabhi , Baranwal Siddharth , Muniyappan Nalluchamy , Sabiah Shahulhameed , Kandasamy Jeyakumar
Published: February 2019

N-Arylation of sulfoximines with different arylboronic acids, including sterically hindered boronic acids, is achieved using copper(I) iodide and 4-DMAP at room temperature. Moreover, N-arylation of biologically relevant l-methionine sulfoximine is demonstrated for the first time. All these reactions provided the desired products in excellent yields within a short span of time. The optimized reaction conditions are well suited to the task of N-vinylation of sulfoximine with trans-2-phenylvinylboronic acid.
Lectin Stimulation of Tissue Thromboplastin Activity in Human Monocytes in vitro
Authors: Lyberg T , Prydz H
Published: February 2019

Lectins (phytohaemagglutinin, concanavalin A and wheat germ agglutinin) trigger an increase in tissue thromboplastin activity of human monocytes in vitro. The presence of serum was not necessary and did not enhance the activity. The increase was inhibited by cycloheximide and actinomycin D, suggesting that de novo protein synthesis is involved.
Platelet Release Reaction in vivo in Patients with Ischaemic Heart Disease after Isometric Exercise and its Prevention with Dipyridamole
Authors: Sano Tadahiro , Motomiya Takeshi , Yamazaki Hiroh
Published: February 2019

In 20 patients with ischaemic heart disease (IHD), platelet sensitivity to ADP- aggregation, plasma von Willebrand factor (vWF) and plasma β-thromboglobulin (β-TG) were measured before and after isometric exercise. Effect of dipyridamole on these determinants was studied in a crossover fashion. To assess plasma vWF level, a new simple method was employed which has the advantage of not requiring an optical aggregometer and was proved to be reproducible.

No significant difference was seen in platelet sensitivity to ADP-aggregation, vWF and β-TG among healthy controls, IHD patients on placebo and on dipyridamole at rest. After exercise, platelet sensitivity to aggregation, plasma vWF and β-TG increased significantly in IHD patients on placebo. In healthy controls, no significant changes were seen. On dipyridamole, above changes seen in IHD patients were not seen.

The results suggests that isometric exercise may induce platelet release reaction in vivo and may produce hypercoagulable state in IHD patients. These phenomena may be prevented by pretreatment with dipyridamole.
The Effect on Thromboelastogram of Normal Blood and Procoagulant Activity of Gel Filtered Uraemic Platelets
Authors: Umiastowski Jerzy , Suchecki Tadeusz
Published: February 2019

The effect on thromboeiastogram of normal blood, and activity of platelet factor 3 of gel filtered uraemic platelets were investigated. It was found that gel filtered uraemic platelets cause shortening of “r” time of thromboeiastogram and show increased activity of platelet factor 3 (stypven time). Both phenomena were interpreted as being due to increase of platelet procoagulant activity.
Absence of the 145,000 Molecular Weight, Soluble Platelet Membrane Glycoprotein - Lack of Platelet Agglutination
Authors: Solum Nils Olav , Hagen Inger , Peterka Miroslav , Gjemdal Torbjørn
Published: February 2019

One step in the function of platelets in hemostasis is their adhesion to subendothelial tissue. The human factor VIII related protein (von Willebrand factor) is considered to be involved in the adhesion phenomenon (Baumgartner et al. 1977). One manifestation of the protein-cell interaction can be observed as a platelet agglutination after addition to the human platelets of a combination of the human protein and the glycopeptide ristocetin, or after addition of the bovine protein alone. The bovine factor VIII related protein as such directly binds to the platelet membrane (Kirby and Sha May Tang 1977) and thus represents a simpler system than ristocetin plus the human cofactor which may have to interact with each other before excerting their effect on the platelet membrane. The present paper concerns the se.

One of the characteristics of the agglutination of human platelets brought about by the bovine factor VIII related protein (as well as by ristocetin plus the human cofactor) is that it is independent of the energy metabolism and the internal organization of the platelet. One would therefore expect that modified platelets and platelet “ghosts” would agglutinate as long as certain structures on the outer cell surface are chemically and sterically intact. Because of the hydrophilic character of the carbohydrate side chains, the membrane glycoproteins are considered of special importance for cell contact phenomena. Thus it has already been known for some years that giant platelets of the Bernard-Soulier type which do not agglutinate with the bovine protein (Bithell et al. 1972), contain a reduced amount of sialic acid related to protein content and surface area (Grottum and Solum 1969), and show a reduced glycoprotein stain in the GP I region on SDS polyacrylamide gel electrophoresis (Nurden and Caen 1975).

This paper presents five observations which support a working hypothesis stating that the presence on the platelet membrane of the 145,000 molecular weight, soluble platelet membrane glycoprotein called GPS or glycocalicin is a prerequisite to the agglutination of human platelets by bovine factor VIII related protein.
Plasma Concentrations of High Molecular Weight Kininogen and Prekallikrein and Venous Thromboembolism Incidence in the General Population
Authors: Folsom Aaron , Tang Weihong , Basu Saonli , Misialek Jeffrey , Couper David , Heckbert Susan , Cushman Mary
Published: February 2019

The kallikrein/kinin system, an intravascular biochemical pathway that includes several proteins involved in the contact activation system of coagulation, renin–angiotensin activation and inflammation, may or may not play a role in venous thromboembolism (VTE) occurrence. Within a large prospective population-based study in the United States, we conducted a nested case–cohort study to test the hypothesis that higher plasma levels of high molecular weight kininogen (HK) or prekallikrein are associated with greater VTE incidence. We related baseline enzyme-linked immunosorbent assay measures of HK and prekallikrein in 1993 to 1995 to incidence VTE of the lower extremity (n = 612) through 2015 (mean follow-up = 18 years). We found no evidence that plasma HK or prekallikrein was associated positively with incident VTE. HK, in fact, was associated inversely and significantly with VTE in most proportional hazards regression models. For example, the hazard ratio of VTE per standard deviation higher HK concentration was 0.88 (95% confidence interval = 0.81, 0.97), after adjustment for several VTE risk factors. Our findings suggest that plasma levels of these factors do not determine the risk of VTE in the general population.
Impact of Azithromycin-Based Extended-Spectrum Antibiotic Prophylaxis on Noninfectious Cesarean Wound Complications
Authors: Ausbeck Elizabeth B. , Jauk Victoria C. , Boggess Kim A. , Saade George R. , Longo Sherri , Clark Erin A. S. , Esplin Sean , Cleary Kirsten , Wapner Ronald , Letson Kellett , Owens Michelle , Abramovici Adi , Ambalavanan Namasivayam , Szychowski Jeff M. , Andrews William , Tita Alan T. N. ,   for the Cesarean Section Optimal Antibiotic Prophylaxis Trial Consortium
Published: February 2019

Objective Adding azithromycin to standard antibiotic prophylaxis for unscheduled cesarean delivery has been shown to reduce postcesarean infections. Because wound infection with ureaplasmas may not be overtly purulent, we assessed the hypothesis that azithromycin-based extended-spectrum antibiotic prophylaxis also reduces wound complications that are identified as noninfectious.

Study Design This is a secondary analysis of the C/SOAP (Cesarean Section Optimal Antibiotic Prophylaxis) randomized controlled trial, which enrolled women with singleton pregnancies ≥24 weeks who were undergoing nonelective cesarean. Women were randomized to adjunctive azithromycin or identical placebo up to 1 hour preincision. All wound complications occurring within 6 weeks were adjudicated into infection and noninfectious wound complications (seroma, hematoma, local cellulitis, and other noninfectious wound breakdown). The primary outcome for this analysis is the composite of noninfectious wound complications.

Results At a total of 14 sites, 2,013 women were randomized to adjunctive azithromycin (n = 1,019) or placebo (n = 994). Groups were similar at baseline. Although there was a lower rate of noninfectious wound complications in the azithromycin group compared with placebo (2.9 vs. 3.8%), this was not statistically significant (p = 0.22).

Conclusion While adding azithromycin to usual antibiotic prophylaxis for nonelective cesarean delivery does reduce the risk of postcesarean infections, it did not significantly reduce the risk of postcesarean noninfectious wound complications.
Multi-objective intelligent start-up strategy for small hydropower plants based on adaptive variable parameters of water head
Authors: Wang Xingtao , Zhang Jian , Yu Xiaodong , Lv Jiawen , Zhang Xiaoying
Published: February 2019

Small hydropower plants are often used as a clean energy source in low-head, small-flow rivers, but their operation is significantly restricted by production arrangements. This study investigates the start-up characteristics of small hydropower plants. A mathematical model for the start-up of small hydropower plants is established, and a multi-objective comprehensive index, which considers the influence of the start-up strategy and the hydraulic turbine runner, is derived and verified using a numerical simulation of a practical project. A new intelligent start-up control strategy is then proposed based on adaptive varying water heads. The start-up process for a small hydropower plant is simulated using particle swarm optimization. The results show that the multi-objective index proposed in this paper agrees well with the numerical results. Moreover, compared to the ITAE index, the start-up under the multi-objective comprehensive index is faster and more stable for different water heads and reduces the negative effects of the start-up strategy on the runner. The methods and results presented in this paper form a fundamental theoretical basis for selecting start-up strategies for small hydropower plants in practical projects.
Preliminary evaluation of the energy-saving behavior of a novel household refrigerator
Authors: Cao Jingyu , Chen Chuxiong , Gao Guangtao , Yang Honglun , Su Yuehong , Bottarelli Michele , Cannistraro Mauro , Pei Gang
Published: February 2019

The refrigerator is one of the most essential domestic appliances and causes considerable energy consumption every year. The efficiency of a normal household refrigerator is significantly affected by the heat-insulating property of the thermal barrier of the freezer due to its low inner temperature. In this study, a novel refrigerator with a loop thermosyphon is put forward to decrease the heat transfer between the freezer and ambient air. It has great potential to be popularized as a sustainable energy technology or applied in the renewable energy field considering its significant energy-saving effect, simple structure, and low cost. The energy-saving behavior of the refrigerator is preliminarily evaluated based on the theoretical calculation. The temperatures of ambient, the fresh food compartment, and the location of the heat transport component are varied; the impacts are analyzed. The total cold loss of the topside and side freezer walls is reduced from 16 W to 14 W in the normal test conditions, and the energy-saving ratio varies from 6.3% to 28.5% when the ambient temperature, the location of the heat transport component, and the fresh food compartment temperature vary. The results certificate the energy-saving capability of the novel refrigerator and its reliability in hot climate.
Permeability variations by changes in geometrical conditions
Authors: Shin Changhoon
Published: February 2019

Permeability variation in ground formation, which is caused by the changes in geometrical conditions, has attracted a significant amount of attention in various industrial applications. However, a practical and reliable method has not been proposed yet owing to the extremely complex grain shapes, micron-scale pore paths, lack of reliable testing apparatus, and methods that further complicate its practical implementation. Therefore, the pore-scale simulation (PSS) method was adopted herein to examine the permeability variation characteristics of changes in the geometrical conditions with a focus on their correlations with key geometrical variables. Two kinds of PSS series models, i.e., five simple and four complex structured porous media, were built and analyzed to investigate the permeability variation aspects according to the changes in geometrical conditions. Consequently, the fundamental relation between permeability variation and key geometrical variables, such as specific surface area, porosity, and bulk volume, were successfully presented. Particularly, the relations between the two practical permeability variations as the respective functions of either the specific surface area or porosity, coupled with changes in the bulk volume, were derived and verified by analyzing both PSS models. In conclusion, the reliability of the derived relations for various kinds of porous flow analyses accompanying geometrical changes was checked. Moreover, it was shown that the permeability variations by changes in the geometrical conditions are better correlated with specific surface area and bulk volume but are scarcely expressed as a sole function of porosity.
An accelerated united-atom molecular dynamics simulation on the fast crystallization of ring polyethylene melts
Authors: Hagita Katsumi , Fujiwara Susumu , Iwaoka Nobuyuki
Published: February 2019

To investigate crystallinities based on trans-structures, we determined the differences in the crystallization properties of ring and linear polymers by performing united-atom-model molecular dynamics (MD) simulations of homogeneous polyethylene melts of equal length, N, which refers to the number of monomers per chain. Modified parameters based on the DREIDING force field for the CH2 units were used in order to accelerate the crystallization process. To detect polymer crystallization, we introduced some local-order parameters that relate to trans-segments in addition to common crystallinities using neighboring bond orders. Through quenching MD simulations at 5 K/ns, we roughly determined temperature thresholds, Tth, at which crystallization is observed although it was hard to determine the precise Tth as observed in the laboratory time frame with the present computing resources. When N was relatively small (100 and 200), Tth was determined to be 320 and 350 K for the linear- and ring-polyethylene melts, respectively, while Tth was found to be 330 and 350 K, respectively, when N was 1000. Having confirmed that the crystallization of a ring-polyethylene melt occurs faster than that of the analogous linear melt, we conclude that the trans-segment-based crystallinities are effective for the analysis of local crystal behavior.
Cerium doped LiNi0.5Mn1.5O4 composite with improved high temperature performance as a cathode material for Li-ion batteries
Authors: Li Sheng , Lan Lifang , Lu Lu , Lu Yan , Li Shaofang , Li Jun , Pan Chunyang , Zhao Fenghua
Published: February 2019

To investigate the effect of Ce doping on structure and the electrochemical properties of spinel LiNi0.5Mn1.5O4, especially the cycling performance at high temperature, spinel cathode materials LiNi0.5-0.5xMn1.5-0.5xCexO4 (x = 0, 0.01, 0.02, 0.03) were prepared by the sol-gel method for use in lithium ion batteries. For this purpose a half-cell was assembled with a lithium metal anode and a full-cell was paired with graphite. The characterization and analysis of the prepared LiNi0.5-0.5xMn1.5-0.5xCexO4 (x = 0, 0.01, 0.02, 0.03) composites revealed that all of the samples had a disordered spinel octahedron structure, and that the purity of the phase increased after appropriate Ce doping. Compared to the pristine sample, the prepared LiNi0.495Mn1.495Ce0.02O4, (x = 0.02) had outstanding electrochemical performance with an initial capacity of 133.8 mAh/g, and 131.9 mAh/g at 1 C and 55 °C after 50 cycles, and maintained a capacity retention value of 98.6% at 1 C and 25 °C at the 100th cycle. The introduction of Ce as dopant improved the electrochemical performance of LiNi0.5Mn1.5O4 as a result of the synergistic effects of stronger structural stability, higher lithium ion diffusion coefficient, and lower electrochemical polarization.
On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics
Authors: Saller Maximilian A. C. , Kelly Aaron , Richardson Jeremy O.
Published: February 2019

Simulating the nonadiabatic dynamics of condensed-phase systems continues to pose a significant challenge for quantum dynamics methods. Approaches based on sampling classical trajectories within the mapping formalism, such as the linearized semiclassical initial value representation (LSC-IVR), can be used to approximate quantum correlation functions in dissipative environments. Such semiclassical methods however commonly fail in quantitatively predicting the electronic-state populations in the long-time limit. Here we present a suggestion to minimize this difficulty by splitting the problem into two parts, one of which involves the identity and treating this operator by quantum-mechanical principles rather than with classical approximations. This strategy is applied to numerical simulations of spin-boson model systems, showing its potential to drastically improve the performance of LSC-IVR and related methods with no change in the equations of motion or the algorithm in general, but rather by simply using different functional forms of the observables.
Magneto-optical spectra and the presence of an impurity band in p-type ferromagnetic semiconductor (Ga,Fe)Sb with high Curie temperature
Authors: Sriharsha Karumuri , Anh Le Duc , Tu Nguyen Thanh , Goel Shobhit , Tanaka Masaaki
Published: February 2019

By using magnetic circular dichroism (MCD) spectroscopy with photon energy in both visible (1.5–5 eV) and infrared light regions (0.6–1.7 eV), we systematically investigate the band structure of p-type ferromagnetic semiconductor (Ga1−x,Fex)Sb with various Fe concentrations x = 2%–20% grown by low-temperature molecular beam epitaxy. We observed two peaks in the infrared MCD spectra that can be explained by the optical transitions related to the Fermi level (EF) located in an Fe-related impurity band (IB) in the bandgap. As x increases, the energy shifts of the two peaks suggest that the Fe-related IB extends into the bandgap and EF rises correspondingly. Furthermore, the mobility of hole carriers in these (Ga,Fe)Sb thin films estimated by Hall measurements is very low (0.2–2 cm2/Vs), which is consistent with our conclusion that the hole carriers and EF reside in the IB rather than in the valence band. Our results provide insights into the band structure of p-type ferromagnetic semiconductors (Ga,Fe)Sb with high Curie temperature, which is promising for the realization of spintronic devices operating at room temperature.
Dimensions and spring constants of rectangular AFM cantilevers determined from resonance measurements
Authors: Flores-Ruiz Francisco Javier , Garcia-Vazquez Valentin
Published: February 2019

We present a reliable numerical method that computes the spring constants of a rectangular Atomic Force Microscopy (AFM) cantilever when a small number of experimental resonance frequencies are known. By using a collection of multivariate polynomial regressions followed by an algorithm that solves a set of non-linear equations, the method finds first the values of the cantilever geometric parameters associated with the given set of resonances. The results are then used to determine the normal, longitudinal, and transversal spring constants through a second collection of regressions. Both data collections were built with finite element analysis of realistic rectangular AFM cantilevers. Experiments performed on commercial cantilevers were used to test the numerical method. The computed geometric parameters were confirmed with scanning electron microscopy, demonstrating that the method is viable, self-consistent, and accurate.
Improving blue quantum dot light-emitting diodes by a lithium fluoride interfacial layer
Authors: Qu Xiangwei , Zhang Nan , Cai Rui , Kang Bonan , Chen Shuming , Xu Bing , Wang Kai , Sun Xiao Wei
Published: February 2019

Unlike green and red quantum dot light-emitting diodes (QLEDs), electron injection is not sufficient for blue QLEDs due to a higher potential barrier at the quantum dot (QD)/ZnO interface. In this work, a lithium fluoride (LiF) interlayer is inserted between ZnO and the quantum dot layer to improve the efficiency and stability of blue QLEDs. The LiF interfacial layer facilitates electron injection into QDs through the electron tunneling effect and suppresses the exciton quenching at the QD/ZnO interface. As a result, the blue QLED devices show the maximum external quantum efficiency and current efficiency of 9.8% and 7.9 cd A−1, respectively, which are 1.45 times and 1.39 times, respectively, higher than those of control devices. The operational lifetime of devices is also improved by two times. Our works indicate that interface engineering is an effective method for high efficiency and stable blue QLEDs.
Complexin cooperates with Bruchpilot to tether synaptic vesicles to the active zone cytomatrix
Authors: Scholz Nicole , Ehmann Nadine , Sachidanandan Divya , Imig Cordelia , Cooper Benjamin H. , Jahn Olaf , Reim Kerstin , Brose Nils , Meyer Jutta , Lamberty Marius , Altrichter Steffen , Bormann Anne , Hallermann Stefan , Pauli Martin , Heckmann Manfred , Stigloher Christian , Langenhan Tobias , Kittel Robert J.
Published: February 2019

Information processing by the nervous system depends on neurotransmitter release from synaptic vesicles (SVs) at the presynaptic active zone. Molecular components of the cytomatrix at the active zone (CAZ) regulate the final stages of the SV cycle preceding exocytosis and thereby shape the efficacy and plasticity of synaptic transmission. Part of this regulation is reflected by a physical association of SVs with filamentous CAZ structures via largely unknown protein interactions. The very C-terminal region of Bruchpilot (Brp), a key component of the Drosophila melanogaster CAZ, participates in SV tethering. Here, we identify the conserved SNARE regulator Complexin (Cpx) in an in vivo screen for molecules that link the Brp C terminus to SVs. Brp and Cpx interact genetically and functionally. Both proteins promote SV recruitment to the Drosophila CAZ and counteract short-term synaptic depression. Analyzing SV tethering to active zone ribbons of cpx3 knockout mice supports an evolutionarily conserved role of Cpx upstream of SNARE complex assembly.
Mahak Sharma: Weaving through traffic
Authors: Infarinato Nicole
Published: February 2019

Sharma investigates vesicular trafficking to lysosomes and how pathogens hijack the endolysosomal system during infection.
N- and C-terminal interactions in KCNH channels: The spotlight on the intrinsic ligand
Authors: Brelidze Tinatin I.
Published: February 2019

Brelidze examines recent data revealing the new role of the intrinsic ligand in hERG potassium channel gating.
Changes in Dermal Thickness in Biopsy Study of Histologic Findings After a Single Injection of Polycaprolactone-Based Filler into the Dermis
Authors: Kim Jong Seo
Published: February 2019

Background

During aging, facial skin thins, atrophies, and loses elasticity. Subdermal filler injections can volumize and treat wrinkles but cannot directly change dermal thickness. Polycaprolactone (PCL) fillers can improve skin texture and quality through dermal thickening and inducing neocollagenesis. Through biopsy study, evidence of neocollagenesis will be introduced.

Objectives

In this single-clinic prospective study, 13 patients received a single injection of diluted 0.5 cc of PCL filler in the facial dermis except the right temple area for intra-individual control study.

Methods

A biopsy was performed from temple skin at 1 year for all patients. An additional biopsy was performed at 2 weeks and 4 years posttreatment for 3 patients. Dermal thickness was measured with sonography after 1 year.

Results

On average, the mean rate of temporal skin thickness in biopsy specimens (n = 117 points in 13 patients) at 1 year posttreatment increased by 26.74% ± 9.26% from 1412.41 μm ± 69 μm to 1781.11 μm ± 110 μm (P < 0.001). On average, the mean thickness of facial skin (n = 39 points in 13 patients) measured by ultrasound at 1 year increased by 21.31% ± 4.34%. Around PCL particles, many fibroblasts, giant cells, new capillaries, new collagen, and elastic fibers were found in various stains.

Conclusions

Facial dermal thickness increased after intradermal injection of PCL filler by neocollagenesis to treat skin atrophy. PCL filler may last more than 4 years in the dermis.

Level of Evidence: 4
CausalTAB: the PSI-MITAB 2.8 updated format for signalling data representation and dissemination
Authors: Perfetto L , Acencio M L , Bradley G , Cesareni G , Del Toro N , Fazekas D , Hermjakob H , Korcsmaros T , Kuiper M , Lægreid A , Lo Surdo P , Lovering R C , Orchard S , Porras P , Thomas P D , Touré V , Zobolas J , Licata L
Published: February 2019

Motivation

Combining multiple layers of information underlying biological complexity into a structured framework represent a challenge in systems biology. A key task is the formalization of such information in models describing how biological entities interact to mediate the response to external and internal signals. Several databases with signalling information, focus on capturing, organizing and displaying signalling interactions by representing them as binary, causal relationships between biological entities. The curation efforts that build these individual databases demand a concerted effort to ensure interoperability among resources.

Results

Aware of the enormous benefits of standardization efforts in the molecular interaction research field, representatives of the signalling network community agreed to extend the PSI-MI controlled vocabulary to include additional terms representing aspects of causal interactions. Here, we present a common standard for the representation and dissemination of signalling information: the PSI Causal Interaction tabular format (CausalTAB) which is an extension of the existing PSI-MI tab-delimited format, now designated PSI-MITAB 2.8. We define the new term ‘causal interaction’, and related child terms, which are children of the PSI-MI ‘molecular interaction’ term. The new vocabulary terms in this extended PSI-MI format will enable systems biologists to model large-scale signalling networks more precisely and with higher coverage than before.

Availability and implementation

PSI-MITAB 2.8 format and the new reference implementation of PSICQUIC are available online (https://psicquic.github.io/ and https://psicquic.github.io/MITAB28Format.html).

Supplementary information

Supplementary data are available at Bioinformatics online.
Improving coronary artery bypass grafting: a systematic review and meta-analysis on the impact of adopting transit-time flow measurement
Authors: Thuijs Daniel J F M , Bekker Margreet W A , Taggart David P , Kappetein A Pieter , Kieser Teresa M , Wendt Daniel , Di Giammarco Gabriele , Trachiotis Gregory D , Puskas John D , Head Stuart J
Published: February 2019

Despite there being numerous studies of intraoperative graft flow assessment by transit-time flow measurement (TTFM) on outcomes after coronary artery bypass grafting (CABG), the adoption of contemporary TTFM is low. Therefore, on 31 January 2018, a systematic literature search was performed to identify articles that reported (i) the amount of grafts classified as abnormal or which were revised or (ii) an association between TTFM and outcomes during follow-up. Random-effects models were used to create pooled estimates with 95% confidence intervals (CI) of (i) the rate of graft revision per patient, (ii) the rate of graft revision per graft and (iii) the rate of graft revision among grafts deemed abnormal based on TTFM parameters. The search yielded 242 articles, and 66 original articles were included in the systematic review. Of those articles, 35 studies reported on abnormal grafts or graft revisions (8943 patients, 15 673 grafts) and were included in the meta-analysis. In 4.3% of patients (95% CI 3.3–5.7%, I2 = 73.9) a revision was required and 2.0% of grafts (95% CI 1.5–2.5%; I2 = 66.0) were revised. The pooled rate of graft revisions among abnormal grafts was 25.1% (95% CI 15.5–37.9%; I2 = 80.2). Studies reported sensitivity ranging from 0.250 to 0.457 and the specificity from 0.939 to 0.984. Reported negative predictive values ranged from 0.719 to 0.980 and reported positive predictive values ranged from 0.100 to 0.840. This systematic review and meta-analysis showed that TTFM could improve CABG procedures. However, due to heterogeneous data, drawing uniform conclusions appeared challenging. Future studies should focus on determining the optimal use of TTFM and assessing its diagnostic accuracy.
Brief smoking cessation in acute Welsh hospitals: a realist approach
Authors: Davies Siân , Burton Christopher R , Williams Lynne , Tinkler Angela
Published: February 2019

This implementation study sought to determine what works to support brief smoking cessation (BSC) in acute hospital settings, through exploration of organizational delivery and the role of healthcare professionals (HCPs). We used a realist approach, with embedded stakeholder engagement, within a large health organization. We conducted interviews (n = 27), a survey (n = 279) and organization documentation review (n = 44). The final programme theory suggests HCPs implement BSC when they value it as part of their role in contributing to improved patient outcomes; this is due to personal and professional influences, such as knowledge or experience. Organizational support, training and working in an environment where BSC is visible as standard care, positively influences implementation. However, the context exerts a strong influence on whether BSC is implemented, or not. HCPs make nuanced judgements on whether to implement BSC based on their assessment of the patient’s responses, the patient’s condition and other acute care demands. HCPs are less likely to implement BSC in dynamic and uncertain environments, as they are concerned about adversely impacting on the clinician–patient relationship and prioritize other acute care requirements. Organizations should actively promote BSC as a core function of the acute hospital setting and improve professional practice through leadership, training, feedback and visible indicators of organizational commitment. HCPs can be persuaded that implementing BSC is an acute care priority and an expectation of standard practice for improving patient outcomes.
Possibilities and challenges in developing and implementing an empowerment-based school-intervention in a Swedish disadvantaged community
Authors: Jonsson L , Fröberg A , Korp P , Larsson C , Berg C , Lindgren E -C
Published: February 2019

In this paper, we describe and critically reflect on the possibilities and challenges of developing and implementing an empowerment-based school intervention regarding healthy food and physical activity (PA), involving participants from a Swedish multicultural area characterized by low socioeconomic status. The 2-year intervention was continually developed and implemented, as a result of cooperation and shared decision making among researchers and the participants. All 54 participants were seventh graders, and the intervention comprised health coaching, health promotion sessions and a Facebook group. We experienced that participants valued collaborating with peers, and that they took responsibility in codeveloping and implementing the intervention. Participants expressed feeling listened to, being treated with respect and taken seriously. However, we also experienced a number of barriers that challenged our initial intentions of aiding participation and ambition to support empowerment. Moreover, it was challenging to use structured group health coaching and to work with goal-setting in groups of participants with shared, and sometimes competing, goals, wishes and needs related to food and PA. Successful experiences from this intervention was the importance of acquiring a broad and deep understanding of the context and participants, being open to negotiating, as well as adjusting the intervention.
Successful percutaneous treatment of an anomalous left circumflex coronary artery occlusion after tricuspid valve repair
Authors: Hergault Hélène , Mouillet Gauthier , Ternacle Julien , Bergoend Eric
Published: February 2019

The risk of coronary artery injury during valve surgery is higher in case of anomalous coronary artery origin and trajectory. Unlike previous reports on coronary obstruction related to aortic or mitral surgery, we report the first case, to the best of our knowledge, of an anomalous left circumflex artery occlusion after tricuspid valve repair, and its successful percutaneous treatment.