bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Camphecene and Cytisine Conjugates Using Click Chemistry Methodology and Study of Their Antiviral Activity
Authors: Artyushin Oleg. I. , Moiseeva Aleksandra A. , Zarubaev Vladimir V. , Slita Aleksander V. , Galochkina Anastasiya V. , Muryleva Anna A. , Borisevich Sophia S. , Yarovaya Olga I. , Salakhutdinov Nariman F. , Brel Valery K. 
Published: October 2019

AbstractA series of camphecene and quinolizidine alkaloid (−)‐cytisine conjugates has been obtained for the first time using ‘click’ chemistry methodology. The cytotoxicity and virus‐inhibiting activity of compounds were determined against MDCK cells and influenza virus A/Puerto Rico/8/34 (H1N1), correspondingly, in in vitro tests. Based on the results obtained, values of 50 % cytotoxic dose (CC50), 50 % inhibition dose (IC50) and selectivity index (SI) were determined for each compound. It has been shown that the antiviral activity is affected by the length and nature of linkers between cytisine and camphor units. Conjugate 13 ((1R,5S)‐3‐(6‐{4‐[(2‐{(E)‐[(1R,4R)‐1,7,7‐trimethylbicyclo[2.2.1]heptan‐2‐ylidene]amino}ethoxy)methyl]‐1H‐1,2,3‐triazol‐1‐yl}hexyl)‐1,2,3,4,5,6‐hexahydro‐8H‐1,5‐methanopyrido[1,2‐a][1,5]diazocin‐8‐one), which contains cytisine fragment separated from triazole ring by –C6H12– aliphatic linker, showed the highest activity at relatively low toxicity (CC50=168 μmol, IC50=8 μmol, SI=20). Its selectivity index appeared higher than that of reference compound, rimantadine. According to theoretical calculations, the antiviral activity of the lead compound 13 can be explained by its influence on the functioning of neuraminidase.
Effect of fermentation time on the nutritional properties of pea protein‐enriched flour fermented by Aspergillus oryzae and Aspergillus niger
Authors: Kumitch Hayley M. , Stone Andrea , Nosworthy Matthew G. , Nickerson Michael T. , House James D. , Korber Darren R. , Tanaka Takuji 
Published: October 2019

AbstractBackground and objectivesThe overall goal of this research was to examine the effect of solid‐state fermentation using Aspergillus oryzae and Aspergillus niger over time on the nutritional properties of an air‐classified pea protein‐enriched flour (PPEF). Specifically, changes to levels of enzyme inhibitors, total phenolics, in vitro protein digestibility (IVPD), and protein quality (IVPD‐corrected amino acid score) were assessed.FindingsTrypsin and chymotrypsin inhibitors were reduced by 11.6 and 30.4%, and 22.8 and 21.8% for A. niger and A. oryzae, respectively, whereas the total phenolic content increased by 35.3 and 44.7% for A. niger and A. oryzae, respectively. IVPD increased over the fermentation time. However, the overall protein quality as measured by the IVPD‐corrected amino acid score became worse, becoming lowered by 5%–15% after 6 hr.ConclusionsSSF improved the digestibility and bioactive compound availability, whereas protein quality was not improved.Significance and noveltyFindings indicate that this particular solid‐state fermentation system improved the digestibility of the PPEF.
Global Optimization of Adsorbate Covered Supported Cluster Catalysts: The Case of Pt7H10CH3 on α‐Al2O3
Authors: Zhai Huanchen , Sautet Philippe , Alexandrova Anastassia N. 
Published: October 2019

AbstractDetermining structures of supported sub‐nanometer catalytic clusters is important for finding binding sites, active sites, and reaction mechanisms. In realistic conditions, the cluster may be covered with adsorbed reactants and intermediates, which strongly affect the structure of the cluster compared to the low coverage regime. The global optimization of supported adsorbate‐covered clusters is not possible with existing methods. We present a customized Basin Hopping (BH) approach, with a core (metal cluster)‐shell (adsorbates) separation scheme, and perform first applications to the search of low‐energy isomers of Pt7/α‐Al2O3 at high hydrogen coverage (10H). The presence of adsorbates significantly alters the low‐energy isomers compared to bare Pt7/α‐Al2O3. Molecular dynamics simulations additionally show the different time‐scales associated with the mobility of H and Pt atoms. The revised BH method with core‐shell separation presents key advantages for the structural exploration of adsorbate‐covered supported catalysts, relevant to realistic catalytic conditions.
Design and synthesis of a stereodynamic catalyst with reversal of selectivity by enantioselective self‐inhibition
Authors: Scholtes Jan Felix , Trapp Oliver 
Published: October 2019

AbstractChirality plays a pivotal role in an uncountable number of biological processes, and nature has developed intriguing mechanisms to maintain this state of enantiopurity. The strive for a deeper understanding of the different elements that constitute such self‐sustaining systems on a molecular level has sparked great interest in the studies of autoinductive and amplifying enantioselective reactions. The design of these reactions remains highly challenging; however, the development of generally applicable principles promises to have a considerable impact on research of catalyst design and other adjacent fields in the future. Here, we report the realization of an autoinductive, enantioselective self‐inhibiting hydrogenation reaction. Development of a stereodynamic catalyst with chiral sensing abilities allowed for a chiral reaction product to interact with the catalyst and change its selectivity in order to suppress its formation, which caused a reversal of selectivity over time.
Liquid Flow Visualization in Packed‐Bed Multiphase Reactors: Wire‐Mesh Sensor Design and Data Analysis for Rotating Fixed Beds
Authors: Timaeus Robert , Berger Ronny , Schleicher Eckhard , Hampel Uwe , Schubert Markus 
Published: October 2019

AbstractWire‐mesh sensors are increasingly used for flow imaging in packed beds. In this study, a capacitance wire‐mesh sensor is applied to measure the cross‐sectional liquid phase distribution in a rotating fixed‐bed reactor. The liquid filling level is derived as a crucial parameter defining the operational window of the reactor concept. Contrary to the standard sensor configuration, wireless data transfer and autonomous power supply is integrated. Furthermore, appropriate data processing is required to visualize the liquid flow of the three‐phase system (nitrogen, cumene and γ‐Al2O3 particles).
Catalyst–Electrolyte Interactions in Aqueous Reline Solutions for Highly Selective Electrochemical CO2 Reduction
Authors: Garg Sahil , Li Mengran , Rufford Thomas E. , Ge Lei , Rudolph Victor , Knibbe Ruth , Konarova Muxina , Wang Geoff G. X. 
Published: October 2019

AbstractAchieving high product selectivities is one challenge that limits viability of electrochemical CO2 reduction (CO2R) to chemical feedstocks. Here, it was demonstrated how interactions between Ag foil cathodes and reline (choline chloride + urea) led to highly selective CO2R to CO with a faradaic efficiency of (96±8) % in 50 wt % aqueous reline at −0.884 V vs. the reversible hydrogen electrode (RHE), which is a 1.5‐fold improvement over CO2R in KHCO3. In reline the Ag foil was roughened by (i) dissolution of oxide layers followed by (ii) electrodeposition of Ag nanoparticles back on cathode. This surface restructuring exposed low‐coordinated Ag atoms, and subsequent adsorption of choline ions and urea at the catalyst surface limited proton availability in the double layer and stabilized key intermediates such as *COOH. These approaches could potentially be extended to other electrocatalytic metals and lower‐viscosity deep eutectic solvents to achieve higher‐current‐density CO2R in continuous‐flow cell electrolyzers.
Construction of 1T‐MoSe2/TiC@C Branch–Core Arrays as Advanced Anodes for Enhanced Sodium Ion Storage
Authors: Zhang Yan , Deng Shengjue , Shen Yanbin , Liu Bo , Pan Guoxiang , Liu Qi , Wang Xiuli , Wang Yadong , Xia Xinhui , Tu Jiangping 
Published: October 2019

AbstractThe use of active sites and reaction kinetics of MoSe2 anodes for sodium ion batteries (SIBs) are highly related to the phase components (1T and 2H phases) and electrode architecture. This study concerns the design and fabrication of wrinkled 1T‐MoSe2 nanoflakes anchored on highly conductive TiC@C nanorods to form 1T‐MoSe2/TiC@C branch–core arrays by a powerful chemical vapor deposition (CVD)–solvothermal method. The 1T‐MoSe2 branch can be easily transformed into its 2H‐MoSe2 counterpart after a facile annealing process. In comparison to 2H‐MoSe2, 1T‐MoSe2 has larger interlayer spacing and higher electronic conductivity, which are beneficial for the acceleration of reaction kinetics and capacity improvement. In addition, direct growth of 1T‐MoSe2 nanoflakes on the TiC@C skeleton not only enhance the electrical conductivity, but also contribute to reinforced structural stability. Accordingly, 1T‐MoSe2/TiC@C branch–core arrays are demonstrated with higher capacity and better rate performance (184 mAh g−1 at 10 A g−1) and impressive durability over 500 cycles with a capacity retention of approximately 91.8 %. This phase modulation plus branch–core design provides a general method for the synthesis of other high‐performance electrode materials for application in electrochemical energy storage.
Suppressed competitive exclusion enabled the proliferation of Permian/Triassic boundary microbialites
Authors: Foster William J. , Heindel Katrin , Richoz Sylvain , Gliwa Jana , Lehrmann Daniel J. , Baud Aymon , Kolar‐Jurkovšek Tea , Aljinović Dunja , Jurkovšek Bogdan , Korn Dieter , Martindale Rowan C. , Peckmann Jörn 
Published: October 2019

AbstractDuring the earliest Triassic microbial mats flourished in the photic zones of marginal seas, generating widespread microbialites. It has been suggested that anoxic conditions in shallow marine environments, linked to the end‐Permian mass extinction, limited mat‐inhibiting metazoans allowing for this microbialite expansion. The presence of a diverse suite of proxies indicating oxygenated shallow sea‐water conditions (metazoan fossils, biomarkers and redox proxies) from microbialite successions have, however, challenged the inference of anoxic conditions. Here, the distribution and faunal composition of Griesbachian microbialites from China, Iran, Turkey, Armenia, Slovenia and Hungary are investigated to determine the factors that allowed microbialite‐forming microbial mats to flourish following the end‐Permian crisis. The results presented here show that Neotethyan microbial buildups record a unique faunal association due to the presence of keratose sponges, while the Palaeotethyan buildups have a higher proportion of molluscs and the foraminifera Earlandia. The distribution of the faunal components within the microbial fabrics suggests that, except for the keratose sponges and some microconchids, most of the metazoans were transported into the microbial framework via wave currents. The presence of both microbialites and metazoan associations were limited to oxygenated settings, suggesting that a factor other than anoxia resulted in a relaxation of ecological constraints following the mass extinction event. It is inferred that the end‐Permian mass extinction event decreased the diversity and abundance of metazoans to the point of significantly reducing competition, allowing photosynthesis‐based microbial mats to flourish in shallow water settings and resulting in the formation of widespread microbialites.
Risk of major cardiovascular events, severe hypoglycaemia, and all‐cause mortality for users of insulin degludec versus insulin glargine U100—A Danish cohort study
Authors: Jensen Morten Hasselstrøm , Hejlesen Ole , Vestergaard Peter 
Published: October 2019

AbstractAimsReal‐world evidence of the safety of insulin degludec compared with insulin glargine U100 is sparse. This study sought to investigate the risk of major cardiovascular events, severe hypoglycaemia, and all‐cause mortality after initiation of degludec or glargine U100 in the population of Denmark.Materials and MethodsAll Danish people with diabetes initiating treatment on degludec (n=5159) or glargine (n=4041) in 2016 to 2017 were included in the study. The effect of insulin treatment on the endpoints of major cardiovascular events, severe hypoglycaemia, and all‐cause mortality was analysed with Cox proportional hazard models. The models were adjusted for age, sex, diabetes duration, diabetes type, highest completed education, and annual income. The model of severe hypoglycaemia was also adjusted for severe hypoglycaemia prior to baseline. The model of mortality was also adjusted for history of alcohol abuse, use of antidepressants, use of opioids, and use of anxiolytics. Lastly, the models of major cardiovascular events and mortality were also adjusted for Charlson comorbidity index.ResultsUse of degludec resulted in an almost twofold decrease in risk of death (hazard rate [HR]: 0.54, 95% CI: 0.44‐0.65) compared with use of glargine. No statistically significant risk changes were found for major cardiovascular events (HR: 0.86, 95% CI: 0.62‐1.19) and severe hypoglycaemia (HR: 1.13, 95% CI: 0.66‐1.93). The proportion of cause of death due to malignant neoplasm of pancreas was almost doubled for glargine compared with degludec.ConclusionsThese results indicate that insulin degludec has a safer profile with respect to all‐cause mortality as compared with insulin glargine U100.
Impaired glucose tolerance and albuminuria in patients with chronic heart failure: a subanalysis of the SUPPORT trial
Authors: Nochioka Kotaro , Sakata Yasuhiko , Miura Masanobu , Shiroto Takashi , Takahashi Jun , Saga Chie , Ikeno Yasuko , Shiba Nobuyuki , Shinozaki Tsuyoshi , Sugi Masafumi , Nakagawa Makoto , Komaru Tatsuya , Kato Atsushi , Nozaki Eiji , Iwabuchi Kaoru , Hiramoto Tetsuya , Inoue Kanichi , Ohe Masatoshi , Tamaki Kenji , Tsuji Ichiro , Shimokawa Hiroaki 
Published: October 2019

AbstractAimsThe study aims to evaluate the prognostic significance of impaired glucose tolerance (IGT) with reference to albuminuria in patients with chronic heart failure (CHF).Methods and resultsWe examined 535 CHF patients (mean 66 years, women 25%) in the control arm of our SUPPORT trial, in which we examined additive impact of olmesartan in hypertensive patients with symptomatic CHF treated with β‐blockers and/or angiotensin‐converting enzyme inhibitors. We examined the association between glycaemic abnormality (assessed by 75 g of oral glucose tolerance test) and albuminuria for a composite outcome of all‐cause death, myocardial infarction, stroke, and HF hospitalization. IGT patients (N = 113, mean 67.2 years) were older and more frequently treated with β‐blockers compared with those with normal glucose regulation (N = 142, mean 64.0 years) and those with diabetes mellitus (N = 280, mean 65.7 years). Multivariable Cox proportional hazard models revealed that, as compared with normal glucose regulation (NGR), IGT was associated with increased risk of the outcome when complicated by albuminuria [hazard ratio (HR) 2.25; 95% confidence interval (CI) 1.14–4.42; P = 0.019] but not when uncomplicated by albuminuria (HR 0.76; 95% CI 0.35–1.60, P = 0.47) (P for interaction = 0.041). This was also the case for diabetes mellitus and albuminuria (HR 2.06; 95% CI 1.17–3.61; P = 0.012). Among IGT patients without albuminuria, 21 (29%) developed albuminuria at 1‐year visit, which was again associated with poor prognosis (HR 7.36; 95% CI 1.39–38.98, P = 0.019).ConclusionsThese results indicate that IGT is associated with poor prognosis when complicated by albuminuria in CHF patients, demonstrating the importance of combined early stages of glucose intolerance and renal dysfunction in the management of CHF.
Optimal sizing and operating strategy of a stand‐alone generation–load–storage system: An island case study
Authors: Tu Tu , Rajarathnam Gobinath P. , Vassallo Anthony M. 
Published: October 2019

AbstractComponent sizing optimization and technoeconomic feasibility studies for stand‐alone power systems have been actively discussed in recent years. However, most models and studies overlook the importance of individual component performance, input data resolution and their integration with the system. This article compares the rapidly evolving battery storage technology applications using the context of a stand‐alone system, through a case study on Bruny Island, Tasmania, Australia, where the current electricity infrastructure is approaching its end of life. We constructed a mixed‐integer linear programming model to achieve optimal balance between modeling accuracy and computational complexity. The model was constructed to obtain the optimal component sizing on the basis of minimum lifetime net present cost. It was shown in our work that any transition of islands to become fully stand alone should be carefully considered, where a limited grid connection could still provide significant value to the infrastructure, greatly reduce its stress over peak hours. This concept was illustrated further with another set of model scenarios aiming to explore the performance of battery storage systems with different power output allowances, limited by the time‐series data resolution, were developed. It was shown that the selection of incomplete input data cycle, reliance on standardized average values and utilization of low resolution time‐series data could heavily skew the results of a model, as the use of incomplete dataset and oversimplified average values subtly conceal some of the critical sizing and operation issues in a technoeconomic feasibility study, impacting the accuracy of the model to reflect the real problem.
An efficient task scheduling approach using moth‐flame optimization algorithm for cyber‐physical system applications in fog computing
Authors: Ghobaei‐Arani Mostafa , Souri Alireza , Safara Fatemeh , Norouzi Monire 
Published: October 2019

AbstractWith the rapid development of in modern technologies has led to a novel generation of cyberspace equipment and secure analysis methods such as cyber‐physical system (CPS). The CPS system refers to an intelligent dependable system of embedded smart devices used to monitor and control the cyberspace conditions in a fog computing environment. The fog computing environment connects resources even human beings together to enhance the quality of life through performing of CPS applications using computation resources at the network edge. The optimization of task scheduling for the CSP applications as a challenging issue has been considered as the NP‐hard problem in fog computing environment which is not trivial. On the one hand, reasonable tasks scheduling can increase resource utilization, which can avoid less idle resource. This paper presents a task scheduling algorithm based on moth‐flame optimization algorithm to assign an optimal set of tasks to fog nodes to meet the satisfaction of quality of service requirements of CPS applications in such a way that the total execution time of tasks is minimized. The minimization of task execution and transfer time in the proposed algorithm are considered as objective functions. The experimental testing of the proposed solution is carried out in iFogSim toolkit. As a result of the simulation based on proposed algorithm found, the optimal solution for the scheduling of tasks and equal distribution of tasks to fog nodes has been provided, and less total execution time consumption has been achieved compared with other algorithms.
Applying dignity of risk principles to improve quality of life for vulnerable persons
Authors: Woolford Marta H. , de Lacy‐Vawdon Cassandra , Bugeja Lyndal , Weller Carolina , Ibrahim Joseph E. 
Published: October 2019

ObjectivesFreedom of choice impacts quality of life. Expressed through dignity of risk (DoR), nursing home (NH) residents should be afforded the dignity to take risks to enhance well‐being. How DoR is understood and implemented in the context of aged care remains largely unknown. This study explored the meaning and the barriers and facilitators to applying DoR to NH residents.MethodsQualitative study, comprising semistructured interviews. Senior policy makers and advocate guardians working in the aged care or disability sector were invited to participate. Recruitment continued until data saturation was reached. Two researchers coded interviews, applying inductive and thematic analysis.ResultsFourteen participants took part during 2016‐2017. Analysis demonstrated uniformity in participants' description of DoR, comprising four elements: (a) individuals are at the centre of decision making; (b) life involves risk; (c) individuals must have choice; and (d) DoR is a continuum of experiences. Three main barriers for implementing DoR into practice were identified: (a) balancing autonomy with risks; (b) situational nature of DoR; and (c) taking responsibility for risk.ConclusionThe novel findings provide an explicit understanding of DoR and the facilitators and barriers to applying the principle in the NH setting. These findings inform those who engage in making and implementing choices in the presence of risk for vulnerable clients. To translate the multifaceted elements of DoR into practice requires the development of unambiguous policies/guidelines about who will be responsibility for potential risks that may arise from residents' choices. Further, education programmes supporting care staff/management to enact resident choices in the presence of real or perceived risk are required.
Efficacy of EPA‐enriched supplement compared with standard formula on body weight changes in malnourished patients with head and neck cancer undergone surgery: a randomized study
Authors: Jantharapattana Kitti , Orapipatpong Orachat 
Published: October 2019

AbstractBackgroundEicosapentaenoic acid (EPA) containing nutritional supplement can reverse weight loss and increase lean body mass in a perioperative period of patients with head and neck cancer. To study effects of an EPA‐enriched supplement compared with a conventional supplement in malnourished patients with head and neck cancer following surgery is primary objective.MethodsThe patients were randomized into EPA‐enriched and standard formula group. The supplements were prescribed 7 days preoperative through 14 days postoperative. Body weight and composition including serum parameters were measured from 7 days preoperative until 4 months postoperative. The hospitalized courses were recorded.ResultsThirty‐one patients in each group consumed EPA‐enriched and standard formula supplements. There was no significant body weight or composition changes perioperative. No significant differences in the hospitalized days and postoperative complications was observed.ConclusionsBody weight changes in malnourished patients with head and neck cancer following surgery were not influenced by EPA additives to perioperative nutritional supplements.