bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation of epoxy‐based wood adhesives
Authors: Mousavi Seyyed Yahya , Huang Jian , Li Kaichang 
Published: March 2019

ABSTRACTCold‐set epoxy‐based wood adhesives were investigated for production of exterior plywood. Effective adhesives were composed of bisphenol A diglycidyl ether (BPADGE), polyamidoamine (PAA), and polyethylenimine (PEI). Three‐ply plywood panels were prepared with BPADGE–PAA–PEI adhesives and evaluated for their strengths and water resistance in accordance with a standard for exterior plywood. The effect of BPADGE/(PAA + PEI) weight ratio, PAA/PEI weight ratio, the mixing time for preparing the adhesive, and the pressing time for making plywood panels on the water resistance and the shear strengths of the plywood panels was investigated. The pot life of the adhesive was also measured. Plywood panels made with the BPADGE–PAA–PEI adhesives met the industrial requirements for exterior applications. Adhesion mechanisms are discussed in detail. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47741.
PhenoForecaster: A software package for the prediction of flowering phenology
Authors: Park Isaac , Jones Alex , Mazer Susan J. 
Published: March 2019

Premise of the StudyPredicting the flowering times of angiosperm taxa is a goal of mounting importance in the face of future climate change, with applications not only in plant biology and ecology, but also horticulture, agriculture, and invasive species management. To date, no tool is available to facilitate predictions of flowering phenology using multivariate phenoclimatic models. Such a tool is needed by researchers and other stakeholders who need to predict phenological activity, but are unfamiliar with phenoclimate modeling techniques. PhenoForecaster allows users of any background to conduct species‐specific phenological predictions using an intuitive graphical interface and provides an estimate of each prediction's accuracy.Methods and ResultsElastic net regression techniques were used to develop species‐specific models capable of predicting the flowering dates of 2320 angiosperm species.ConclusionsPhenoForecaster is the first stand‐alone package to make phenological modeling directly accessible to users without the need for in‐depth phenological observations.
The impact of the Wolf reforms on education outcomes for lower‐attaining pupils
Authors: Burgess Simon , Thomson Dave 
Published: March 2019

Between 2004 and 2012, there had been a significant rise in so‐called ‘equivalent’ qualifications taken by young people in England in the final years of their compulsory schooling. These were qualifications other than GCSEs that were approved for young people under the age of 16 under Section 96 of the Learning and Skills Act 2000. This rise was checked by the Wolf review of vocational education, which led to wholesale changes in the set of qualifications that schools offered to pupils, and which primarily affected lower‐attaining students. We quantify the impact of this reform on these pupils with respect to the qualifications they entered and what they achieved. We do so by comparison to previous national cohorts of pupils unaffected by the reform, including the estimation of counterfactual outcomes for the group of pupils most likely to be affected. These pupils tended to enter fewer qualifications overall after the reform than their predecessors, but with a higher fraction of GCSEs. Age‐16 attainment fell, with a lower percentage achieving level 2 of the National Qualifications Framework (NQF). This finding is repeated in the post‐16 outcome measures, which were stable throughout this period. There is no evidence from the attainment data that these reforms helped low‐attaining pupils.
Introducing Programming Skills for Life Science Students
Authors: Mariano Diego , Martins Pedro , Helene Santos Lucianna , de Melo‐ Minardi Raquel Cardoso 
Published: March 2019

AbstractThe advent of the high‐throughput next‐generation sequencing produced a large number of biological data. Knowledge discovery from the huge amount of available biological data requires researchers to develop solid skills in biology and computer science. As the majority of the Bioinformatics professionals are either computer science or life sciences graduates, to teach biology skills to computer science students and computational skills to life science students has become usual. In this article, we reported the experience of teaching programming for life science students. Our strategy is composed by explaining basic concepts of algorithms, abstraction of biological problems, and script programming using Python language. Based on the student's answers to an assessment questionnaire, we conclude that the course achieved positive results. They reported an improvement in their skills in programming and bioinformatics. Furthermore, the students approved the didactic adopted in the classes and evaluation methods (programming exercises and final presentation). This article is useful for other professors who want to implement an initial bioinformatics training for undergraduate or graduate students in life sciences. We believe that the strategies here demonstrated could be reproduced, which could help in the formation of a new generation of bioinformaticians with hybrid abilities in computation and biology. © 2019 International Union of Biochemistry and Molecular Biology, 47(3):288–295, 2019.
Catalysis of Thermostable Alcohol Dehydrogenase Improved by Engineering the Microenvironment through Fusion with Supercharged Proteins
Authors: Abdallah Walaa , Chirino Vanessa , Wheeldon Ian , Banta Scott 
Published: March 2019

AbstractThe enzymatic microenvironment can impact biocatalytic activity; however, these effects can be difficult to investigate as mutations and fusions can introduce multiple variables and overlapping effects. The fusion of a supercharged protein is a potentially facile means to alter the enzymatic microenvironment. We have investigated complexes made between a thermostable alcohol dehydrogenase (AdhD) and superfolding green fluorescent protein (sfGFP) mutants with extreme surface charges. Three charged sfGFP variants, −30, 0, and +36 were covalently attached to AdhD through the SpyCatcher/SpyTag system. Specific rates for the NAD+‐dependent oxidation of butane‐2,3‐diol were significantly increased in the −30 sfGFP complex, a mixed effect was seen for the 0 sfGFP complexes, and the rates were unaffected by +36 sfGFP complexation. Reactions performed at various pH values (7.8–9.8) and salt concentrations (7.75–500 mm) showed that there was a complex interplay between these effects that was consistent with fusion proteins affecting the local ionic strength, as opposed to the local pH. Steady‐state kinetic analyses were performed with the −30 and 0 AdhD–sfGFP complexes. The overall catalytic efficiency was dependent on the charge of the fused sfGFP variant; the −30 sfGFP fusions exhibited the largest beneficial effects at pH 8.8. The impact of the fusions on the apparent ionic strength provides further insight into the effects of charged patches observed on metabolon‐forming enzyme complexes.
Closing the gender gap (but not the generation gap) in acute coronary syndromes
Authors: Parikh Puja B. , Reilly John P. 
Published: March 2019

Key Points

In patients with acute coronary syndromes (ACS) undergoing coronary angiography, elderly women have nearly 50% lower rates of adverse events compared to elderly men, primarily driven by lower cardiovascular mortality.
Nonelderly men and women patients with ACS have similar risk‐adjusted rates of adverse events.
Elderly ACS patients have lower rates of and delays in coronary revascularization than younger patients.
TAVI: How to best predict postprocedural outcomes?
Authors: Shatila Wassim , Krajcer Zvonimir 
Published: March 2019

Key Points

Baseline risk scores for TAVI patients, including STS and EuroSCORE, might not predict long‐term outcomes.
Including postprocedural data might improve risk stratification.
The ACEF‐7 risk score includes the lowest creatinine clearance in the first 7 postprocedural days and appears to be a good predictor of worse long‐term outcomes.
Transcatheter aortic valve replacement hemodynamic durability: Still in question?
Authors: Belardi Jorge A. , Lamelas Pablo M. 
Published: March 2019

Key Points

This study shows excellent transcatheter aortic valve replacement hemodynamic mid‐term durability, aligned with prior research up to 5‐years.
Long‐term (10+ years) data are needed before treating young low‐risk people with aortic stenosis.
Data so far are excellent, indicating a prosperous future for this procedure in young patients.
Pembrolizumab‐induced sarcoid granulomatous panniculitis and bullous pemphigoid in a single patient
Authors: Honigman Anthony D. , Lai Francis , Elakis Joshua , Prall Owen , Goh Michelle , McCormack Christopher 
Published: March 2019

Key Clinical MessagePembrolizumab is an immune checkpoint inhibitor with antitumor activity in other organ malignancies. We present this case —demonstrating multiple inflammatory adverse events associated with Pembrolizumab (in a single patient), in order to increase awareness and facilitate earlier identification of the wide‐ranging cutaneous side effects associated with immunotherapy.
Nickel‐Catalyzed Dehydrogenative Couplings
Authors: Arun V. , Mahanty Kingshuk , De Sarkar Suman 
Published: March 2019

AbstractIn last decade, nickel‐catalyzed organic reactions made tremendous progress due to their distinctive redox character. It has unfolded many contemporary synthetic transformations namely cross‐coupling, carbon‐carbon bond cleavage and directed C−H functionalization to achieve the targeted medicinal organic molecules in a straightforward manner. Beyond these well documented approaches, dehydrogenative coupling a challenging bond forming strategy by expelling hydrogen from unfunctionalized coupling partners is less explored. In accord with this, nickel‐catalyst has been studied to perform different class of dehydrogenative coupling between easily accessible substrates. Nickel catalyzed processes for the construction of carbon‐carbon, carbon‐heteroatom and heteroatom‐heteroatom bonds by dehydrogenation are discussed herein in a sustainable manner.
Electrolytes for Dual‐Carbon Batteries
Authors: Jiang Xiaoyu , Luo Laibing , Zhong Faping , Feng Xiangming , Chen Weihua , Ai Xinping , Yang Hanxi , Cao Yuliang 
Published: March 2019

AbstractDual‐carbon batteries (DCBs) are a promising candidate for smart grid applications, owing to their low cost, high power capability, and environmentally friendly benefits. As an essential component of DCBs, electrolytes not only act as a medium for ion migration during the running of the battery, but also provide active ions to be intercalated into carbon electrodes, exerting significant impacts on the electrochemical performance and safety of the DCB. In this Review, we discuss recent progress in electrolyte research for DCBs, including conventional liquid electrolytes, highly concentrated electrolytes, and gel polymer electrolytes, with a focus on their stability and compatibility with carbon electrodes. Finally, we present perspectives on the current limitations and future research directions of electrolytes for DCBs. Some recommendations for battery evaluation are also offered.
Electrocatalytic Oxidation of Glycerol on Platinum Single Crystals in Alkaline Media
Authors: Sandrini Regiani M. L. M. , Sempionatto Juliane R. , Tremiliosi‐Filho Germano , Herrero Enrique , Feliu Juan M. , Souza‐Garcia Janaina , Angelucci Camilo A. 
Published: March 2019

AbstractGlycerol adsorption and oxidation reactivity at platinum single crystal electrodes in alkaline media using electrochemical and Fourier transform infrared (FTIR) techniques are reported. The behavior of Pt(100) and Pt(110) for the glycerol electrooxidation reaction (GEOR) were compared and analyzed altogether with those previously reported for Pt(111) ( R. M. L. M. Sandrini, J. R. Sempionatto, E. Herrero, J. M. Feliu, J. Souza‐Garcia, C. A. Angelucci, Electrochem. commun. 2018, 86, 149–152). The voltammetric profiles confirm the structure sensitivity of GEOR as well as the role of the surface atoms orientation on the electrocatalytic activity. The Pt(100) surface has shown to be less prone to poisoning during multiple potential cycles in contrast to Pt(110), which suffers an accentuate deactivation at the first positive‐going scan. Spectroscopic results show that the GEOR on all three surfaces is characterized by the presence of two broad bands, centered at circa 1400 cm−1 and 1600 cm−1. This provides evidence that the GEOR mechanism undergoes glycerol dehydrogenation to alkoxydes followed by the formation of aldehyde intermediates adsorbed as η1(O)‐aldehyde and η1(C)‐acyl geometry, respectively. The surface atomic arrangement induces different selectivity in the oxidation process.
How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation
Authors: Ruckthong Leela , Stuckey Jeanne A. , Pecoraro Vincent L. 
Published: March 2019

AbstractA challenging objective of de novo metalloprotein design is to control of the outer coordination spheres of an active site to fine tune metal properties. The well‐defined three stranded coiled coils, TRI and CoilSer peptides, are used to address this question. Substitution of Cys for Leu yields a thiophilic site within the core. Metals such as HgII, PbII, and AsIII result in trigonal planar or trigonal pyramidal geometries; however, spectroscopic studies have shown that CdII forms three‐, four‐ or five‐coordinate CdIIS3(OH2)x (in which x=0–2) when the outer coordination spheres are perturbed. Unfortunately, there has been little crystallographic examination of these proteins to explain the observations. Here, the high‐resolution X‐ray structures of apo‐ and mercurated proteins are compared to explain the modifications that lead to metal coordination number and geometry variation. It reveals that Ala substitution for Leu opens a cavity above the Cys site allowing for water excess, facilitating CdIIS3(OH2). Replacement of Cys by Pen restricts thiol rotation, causing a shift in the metal‐binding plane, which displaces water, forming CdIIS3. Residue d‐Leu, above the Cys site, reorients the side chain towards the Cys layer, diminishing the space for water accommodation yielding CdIIS3, whereas d‐Leu below opens more space, allowing for equal CdIIS3(OH2) and CdIIS3(OH2)2. These studies provide insights into how to control desired metal geometries in metalloproteins by using coded and non‐coded amino acids.
Late‐Stage Direct o‐Alkenylation of Phenols by PdII‐Catalyzed C−H Functionalization
Authors: Dou Yandong , Kenry  , Liu Jiang , Jiang Jianze , Zhu Qing 
Published: March 2019

Abstracto‐Alkenylation of unprotected phenols has been developed by direct C−H functionalization catalyzed by PdII. This work features phenol group as a directing group and realizes highly site‐selective C−H bond functionalization of phenols to achieve the corresponding products in moderate to excellent yields at 60 °C. The advantages of this reaction include unprecedented C−H functionalization using phenol as a directing group, high regioselectivity, good substrate scope, mild reaction conditions, and high efficiency. To the best of our knowledge, this is the first example of a regioselective C−H alkenylation of unprotected phenols utilizing phenolic hydroxyl group as a directing group. The alkenylation of unprotected tyrosine and intramolecular cyclization are also successfully carried out under this catalytic system in good yields. Furthermore, this novel method enables a late‐stage modification of complex phenol‐containing bioactive molecules toward a diversity‐oriented drug discovery.
Sulfide Analogues of Flupirtine and Retigabine with Nanomolar KV7.2/KV7.3 Channel Opening Activity
Authors: Bock Christian , Surur Abdrrahman S. , Beirow Kristin , Kindermann Markus K. , Schulig Lukas , Bodtke Anja , Bednarski Patrick J. , Link Andreas 
Published: March 2019

AbstractThe potassium channel openers flupirtine and retigabine have proven to be valuable analgesics or antiepileptics. Their recent withdrawal due to occasional hepatotoxicity and tissue discoloration, respectively, leaves a therapeutic niche unfilled. Metabolic oxidation of both drugs gives rise to the formation of electrophilic quinones. These elusive, highly reactive metabolites may induce liver injury in the case of flupirtine and blue tissue discoloration after prolonged intake of retigabine. We examined which structural features can be altered to avoid the detrimental oxidation of the aromatic ring and shift oxidation toward the formation of more benign metabolites. Structure–activity relationship studies were performed to evaluate the KV7.2/3 channel opening activity of 45 derivatives. Sulfide analogues were identified that are devoid of the risk of quinone formation, but possess potent KV7.2/3 opening activity. For example, flupirtine analogue 3‐(3,5‐difluorophenyl)‐N‐(6‐(isobutylthio)‐2‐(pyrrolidin‐1‐yl)pyridin‐3‐yl)propanamide (48) has 100‐fold enhanced activity (EC50=1.4 nm), a vastly improved toxicity/activity ratio, and the same efficacy as retigabine in vitro.
Zn−Co−S Colloidal Nanocrystal Clusters as Efficient and Durable Bifunctional Electrocatalysts For Full Water Splitting
Authors: Li Shengnan , Zhao Shuang , Xing Ruimin , Kumbhar V. S. , Lee Kiyoung , Zhou Yanmei , Kazuya Nakata , Fujishima Akira , Liu Shanhu 
Published: March 2019

AbstractThe synthesis of efficient, cost‐effective, and non‐toxic bifunctional electrocatalysts for oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) is highly needed for renewable energy related processes (conversion and storage). In the present work, we report a simple and straightforward one‐step hydrothermal strategy to prepare Zn−Co−S colloidal nanocrystal clusters (CNCs) for total water splitting (OER and HER activity) for the first time. The Zn−Co−S CNCs consist of a large number of interconnected nanoparticles forming spherical structures, which is very helpful for the electrochemical activity. Under alkaline conditions, the Zn−Co−S electrocatalyst demonstrates an excellent electrocatalytic activity by driving 10 mA cm−2 at 157 mV HER and 320 mV OER overpotentials, respectively. The Zn−Co−S catalyst electrode maintained the catalytic activity for 12 h exhibiting a good electrochemical stability. Furthermore, as fabricated two‐electrode alkaline water‐splitting system of Zn−Co−S//Zn−Co−S affords 10 mA cm−2 at a voltage of 1.64 V.
Recent Advancements Towards Closing the Gap between Electrocatalysis and Battery Science Communities: The Computational Lithium Electrode and Activity–Stability Volcano Plots
Authors: Exner Kai S. 
Published: March 2019

AbstractDespite of the fact that the underlying processes are of electrochemical nature, electrocatalysis and battery research are commonly perceived as two disjointed research fields. Herein, recent advancements towards closing this apparent community gap by discussing the concepts of the constrained ab initio thermodynamics approach and the volcano relationship, which were originally introduced for studying heterogeneously catalyzed reactions by first‐principles methods at the beginning of the 21st century, are summarized. The translation of the computational hydrogen electrode (CHE) approach or activity‐based volcano plots to a computational lithium electrode (CLiE) or activity–stability volcano plots, respectively, for the investigation of electrode surfaces in batteries may refine theoretical modeling with the aim that enhancements of the underlying concepts are transferred between the research communities. The presented strategy of developing novel approaches by interdisciplinary research activities may trigger further progress of improved theoretical concepts in the near future.
Combined CO2 Capture and Hydrogenation to Methanol: Amine Immobilization Enables Easy Recycling of Active Elements
Authors: Kar Sayan , Goeppert Alain , Prakash G. K. Surya 
Published: March 2019

AbstractAmines were immobilized onto solid supports and employed for tandem CO2 capture and conversion to CH3OH using homogeneous hydrogenation catalysts. The hydrogenation proceeded through the formation of formamide intermediates. After hydrogenation, the immobilized amines were easily filtered and collected to be reused. The catalyst and methanol were recovered from the filtrate. Covalently‐attached (to polymer support or silica) amine functionalities displayed the highest recycling potential with almost no leaching under the hydrogenation reaction conditions. Using polyethylenimine grafted onto a solid‐silica support, the catalyst and amine were successfully recycled, and CO2 (either pure or from the air) was efficiently captured and converted to CH3OH over multiple cycles.
FoxN3 is necessary for the development of the interatrial septum, the ventricular trabeculae and the muscles at the head/trunk interface in the African clawed frog, Xenopus laevis (Lissamphibia: Anura: Pipidae)
Authors: Naumann Benjamin , Schmidt Jennifer , Olsson Lennart 
Published: March 2019

AbstractBackground
Fox genes are a large family of transcription factors that play diverse roles in the immune system, metabolism, cancer, cell cycle, and animal development. It has been shown that FoxN3 is indispensable for normal craniofacial development in the mouse and the African clawed frog, Xenopus laevis. Morpholino‐mediated knockdown of FoxN3 in X. laevis delays overall development of early tadpole stages and causes eye defects, the absence of some cranial nerve branches, and malformations of the cranial skeleton and some cranial muscles, while the skeleton, nerves and muscles of the trunk are unaffected.ResultsWe report a delay in heart morphogenesis, the absence of the interatrial septum, and a reduction and compaction of the ventricular trabeculation after knockdown of FoxN3 in X. laevis. Furthermore, we found malformations of the cucullaris and diaphragmatico‐branchialis muscles, two head muscles that develop in the head/trunk interface of X. laevis.Conclusions
FoxN3 is necessary for the development of the interatrial septum and trabeculae in the frog heart, as well as the cranial muscles developing in the head/trunk interface. This gives the first evidence for a dependence on the head myogenic program of the cucullaris muscle in an anuran species.