bluuebunny/crossref_metadata_2025_split huggingface dataset:
Phase‐Engineering of 1T/2H Molybdenum Disulfide by Using Ionic Liquid for Enhanced Electrocatalytic Hydrogen Evolution
Authors: Zhang Xin , Li He , Yang Hui , Xie Fei , Yuan Zhihao , Zajickova Lenka , Li Wenjiang 
Published: July 2020

AbstractTwo‐dimensional (2D) molybdenum disulfide (MoS2) has been regarded as an attractive non‐precious‐metal electrocatalyst for the hydrogen evolution reaction (HER). Engineering the crystal phase of MoS2 to activate the basal planes/edges and simultaneously improve the electronic conductivity is currently an effective strategy for enhancing its HER activity. Herein, we report a facile and efficient hydrothermal route to prepare 1T/2H‐MoS2 catalysts using ionic liquid (N‐butyl pyridinium bromide, [BPy]Br) as a structure‐directing agent, where the large steric hindrance of [BPy]Br and the mutual π‐stacking interaction induce the phase transition of MoS2 from 2H to the 1T phase. By adding a suitable amount of [BPy]Br in the reaction system, the portion of the 1T phase in 1T/2H‐MoS2 was increased, which can expose more active sites on its basal planes/edges as well as facilitate charge transfer for the HER. Consequently, 1T/2H‐MoS2 with the 1T portion of 91.9 % exhibits a significantly enhanced HER activity compared to that of the MoS2 synthesized without the aid of [BPy]Br, in terms of a lower Tafel slope of 59 mV dec−1. This synthesis strategy provides valuable guidance for designing the phase structure of MoS2‐based electrocatalysts to achieve high HER efficiency.
Chalcogen‐Expanded Unsaturated Silicon Clusters: Thia‐, Selena‐, and Tellurasiliconoids
Authors: Poitiers Nadine E. , Huch Volker , Zimmer Michael , Scheschkewitz David 
Published: July 2020

AbstractReactions of silylenes with heavier chalcogens (E) typically result in Si=E double bonds or their π‐addition products. In contrast, the oxidation of a silylene‐functionalized unsaturated silicon cluster (siliconoid) with Group 16 elements selectively yields cluster expanded siliconoids Si7E (E=S, Se, Te) fully preserving the unsaturated nature of the cluster scaffold as evident from the NMR signatures of the products. Mechanistic considerations by DFT calculations suggest the intermediacy of a Si6 siliconoid with exohedral Si=E functionality. The reaction thus may serve as model system for the oxidation of surface‐bonded silylenes at Si(100) by chalcogens and their diffusion into the silicon bulk.
High Energy Density Heteroatom (O, N and S) Enriched Activated Carbon for Rational Design of Symmetric Supercapacitors
Authors: Manikandan Ramu , Raj C. Justin , Moulton Simon E. , Todorov Todor Stoilo , Yu Kook Hyun , Kim Byung Chul 
Published: July 2020

AbstractCarbon‐based symmetric supercapacitors (SCs) are known for their high power density and long cyclability, making them an ideal candidate for power sources in new‐generation electronic devices. To boost their electrochemical performances, deriving activated carbon doped with heteroatoms such as N, O, and S are highly desirable for increasing the specific capacitance. In this regard, activated carbon (AC) self‐doped with heteroatoms is directly derived from bio‐waste (lima‐bean shell) using different KOH activation processes. The heteroatom‐enriched AC synthesized using a pretreated carbon‐to‐KOH ratio of 1:2 (ONS@AC‐2) shows excellent surface morphology with a large surface area of 1508 m2 g−1. As an SC electrode material, the presence of heteroatoms (N and S) reduces the interfacial charge‐transfer resistance and increases the ion‐accessible surface area, which inherently provides additional pseudocapacitance. The ONS@AC‐2 electrode attains a maximum specific capacitance (Csp) of 342 F g−1 at a specific current of 1 Ag−1 in 1 m NaClO4 electrolyte at the wide potential window of 1.8 V. Moreover, as symmetric SCs the ONS@AC‐2 electrode delivers a maximum specific capacitance (Csc) of 191 F g−1 with a maximum specific energy of 21.48 Wh kg−1 and high specific power of 14 000 W kg−1 and excellent retention of its initial capacitance (98 %) even after 10000 charge/discharge cycles. In addition, a flexible supercapacitor fabricated utilizing ONS@AC‐2 electrodes and a LiCl/polyvinyl alcohol (PVA)‐based polymer electrolyte shows a maximum Csc of 119 F g−1 with considerable specific energy and power.
Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism‐associated SHANK3†
Authors: Xu Xiaolong , Liu Jianping , Wang Yingli , Wang Yaru , Gong Xinyu , Pan Lifeng 
Published: July 2020

Summary of main observation and conclusionThe active Ras subfamily GTPases, Rap1 and Ras, can be specifically recognized by the SPN domain of SHANK3, mutations of which are associated with many neuropsychiatric diseases such as autism spectrum disorder (ASD). However, the mechanistic bases underlying the interactions of SHANK3 SPN and those Ras subfamily proteins are still elusive. Here, we reported the crystal structures of SHANK3 SPN in complex with the GTP‐bound Rap1b and the Ras‐mimetic Rap1b E30D/K31E double mutant. In addition to uncovering the detailed molecular mechanism governing the specific interactions of SHANK3 SPN with those Ras subfamily proteins, the determined structures also reveal a general binding mode between SHANK3 SPN and its associated Ras subfamily proteins. Finally, our study also provides mechanistic insights into two ASD‐causing R12C and L68P mutations found in the SPN domain of SHANK3, and expands our understanding of the etiology of neuropsychiatric diseases caused by defective SHANK3.
Improving Both Electron and Hole Mobilities of an Ambipolar Polymer by Integrating Sodium Sulfonate‐Tethered Alkyl Side Chains†
Authors: Liu Li‐Na , Li Yun‐Peng , Khalil Maria , Xu Zi‐Wen , Xie Guanghui , Zhang Xingmin , Li Jingjing , Li Wei‐Shi 
Published: July 2020

Summary of main observation and conclusionHigh performance ambipolar organic semiconductors are highly desirable for organic logic circuits. Herein, we demonstrate the integration of sodium sulfonate (SS)‐tethered sidechains into a diketopyrrolopyrrole‐based ambipolar polymer (PDPP3T) can simultaneously improve its hole and electron transport performances either parallel or perpendicular to polymer film. Three SS‐functionalized polymers (PDPP3T‐xSS, x = 0.025, 0.05 and 0.10) were synthesized and studied. It was found that SS functionalization can reinforce interchain π‐π interactions, slightly lower frontier orbital energy levels, produce more rod‐like structures in film, and change chain‐packing from edge‐on to face‐on fashion, but has little influence on thermal properties. More interestingly, organic field‐effect transistors reported hole mobility of 0.27 ± 0.066 cm2·V–1·s–1 and electron mobility of 0.038 ± 0.016 cm2·V–1·s–1 for PDPP3T, while increased 2.4 and 5 folds to 0.64 ± 0.087 and 0.19 ± 0.051 cm2·V–1·s–1 for PDPP3T‐0.025SS, respectively. Moreover, PDPP3T‐xSS devices displayed reduced threshold voltages for both hole and electron transports. Meanwhile, space charge‐limited current method found SS functionalization achieved an order of magnitude increase in electron mobility and slight enhancement in hole mobility transporting perpendicular to polymer film. In‐depth investigations suggest such enhancements may originate from the joint actions of chain‐stacking modulation and ionic doping effect.
Role of wearable rhythm recordings in clinical decision making—The wEHRAbles project
Authors: Manninger Martin , Kosiuk Jedrzej , Zweiker David , Njeim Mario , Antolic Bor , Kircanski Bratislav , Larsen Jacob M. , Svennberg Emma , Vanduynhoven Philippe , Duncker David 
Published: July 2020

AbstractBackgroundMultiple wearable devices for rhythm analysis have been developed using either photoplethysmography (PPG) or handheld ECG.HypothesisThe aim of this survey was to assess impact of these technologies on physicians' clinical decision‐making regarding initiation of diagnostic steps, drug therapy, and invasive strategies.MethodsThe online survey included 10 questions on types of devices, advantages, and disadvantages of wearable devices as well as case scenarios for patients with supraventricular arrhythmias and atrial fibrillation (AF).ResultsA total of 417 physicians (median age 37 [IQR 32‐43] years) from 42 countries world‐wide completed the survey.When presented a tracing of a regular tachycardia by a symptomatic patient, most participants would trigger further diagnostic steps (90% for single‐lead ECG vs 83% for PPG, P < .001), while a single‐lead ECG would be sufficient to perform an invasive EP study in approximately half of participants (51% vs 22% for PPG, P < .001).When presented with a single‐lead ECG tracing suggesting AF, most participants (90%) would trigger further diagnostic steps. A symptomatic AF patient would trigger anticoagulation treatment to a higher extent as an asymptomatic patient (59% vs 21%, P < .001). PPG tracings would only rarely lead to therapeutic steps regardless of symptoms.Most participants would like scientific society recommendations on the use of wearable devices (62%).ConclusionsTracings from wearable rhythm devices suggestive of arrhythmias are most likely to trigger further diagnostic steps, and in the case of PPG recordings rarely therapeutic interventions. A majority of participants expect these devices to facilitate diagnostics and arrhythmia screening but fear data overload and expect scientific society recommendations on the use of wearables.
Shuttling of Peptide‐Drug Conjugates by G Protein‐Coupled Receptors Is Significantly Improved by Pulsed Application
Authors: Ziffert Isabelle , Kaiser Anette , Hoppenz Paul , Mörl Karin , Beck‐Sickinger Annette G. 
Published: July 2020

AbstractG protein‐coupled receptors (GPCRs) can be used to shuttle peptide‐drug conjugates into cells. But, for efficient therapy, a high concentration of cargo needs to be delivered. To explore this, we studied the pharmacologically interesting neuropeptide Y1 receptor (Y1R) in one recombinant and three oncogenic cell systems that endogenously express the receptor. We demonstrate that recycled receptors behave identically to newly synthesized receptors with respect to ligand binding and internalization pathways. Depending on the cell system, biosynthesis, recycling efficiency, and peptide uptake differ partially, but shuttling was efficient in all systems. However, by comparing continuous application of the ligand for four hours to four cycles of internalization and recycling in between, a significantly higher amount of peptide uptake was achieved in the pulsed application (150–250 % to 300–400 %). Accordingly, in this well‐suited drug shuttle system pulsed application is superior under all investigated conditions and should be considered for innovative, targeted drug delivery in general.
A total crapshoot? Evaluating bioinformatic decisions in animal diet metabarcoding analyses
Authors: O'Rourke Devon R. , Bokulich Nicholas A. , Jusino Michelle A. , MacManes Matthew D. , Foster Jeffrey T. 
Published: July 2020

AbstractMetabarcoding studies provide a powerful approach to estimate the diversity and abundance of organisms in mixed communities in nature. While strategies exist for optimizing sample and sequence library preparation, best practices for bioinformatic processing of amplicon sequence data are lacking in animal diet studies. Here we evaluate how decisions made in core bioinformatic processes, including sequence filtering, database design, and classification, can influence animal metabarcoding results. We show that denoising methods have lower error rates compared to traditional clustering methods, although these differences are largely mitigated by removing low‐abundance sequence variants. We also found that available reference datasets from GenBank and BOLD for the animal marker gene cytochrome oxidase I (COI) can be complementary, and we discuss methods to improve existing databases to include versioned releases. Taxonomic classification methods can dramatically affect results. For example, the commonly used Barcode of Life Database (BOLD) Classification API assigned fewer names to samples from order through species levels using both a mock community and bat guano samples compared to all other classifiers (vsearch‐SINTAX and q2‐feature‐classifier's BLAST + LCA, VSEARCH + LCA, and Naive Bayes classifiers). The lack of consensus on bioinformatics best practices limits comparisons among studies and may introduce biases. Our work suggests that biological mock communities offer a useful standard to evaluate the myriad computational decisions impacting animal metabarcoding accuracy. Further, these comparisons highlight the need for continual evaluations as new tools are adopted to ensure that the inferences drawn reflect meaningful biology instead of digital artifacts.
Conversion of Estrone to 17β-Estradiol: A Potential Confounding Factor in Assessing Risks of Environmental Estrogens to Fish
Authors: Tapper Mark A. , Kolanczyk Richard C. , LaLone Carlie A. , Denny Jeffrey S. , Ankley Gerald T. 
Published: July 2020

Abstract
Feminization of male fish and the role of endocrine-active chemicals in this phenomenon has been an area of intense study for many years. Estrone (E1), a natural steroid, is found in aquatic environments sometimes at high concentrations relative to the estrogenic steroids 17β-estradiol (E2) and 17α-ethynylestradiol. However, E1 has been less thoroughly studied than E2 or 17α-ethynylestradiol due in part to a relatively lower potency in metabolically limited estrogen receptor (ER) binding/activation assays. Recent evidence suggests that in vivo biotransformation of E1 to E2 may occur in fathead minnows (Pimephales promelas) residing in environments with high concentrations of E1, such as near wastewater treatment plants. The enzymes likely responsible for this biotransformation, 17β-hydroxysteroid dehydrogenases (17βHSDs), have been well characterized in mammals but to a lesser extent in fish species. In the present study, a novel systematic analysis of amino acid sequence data from the National Center for Biotechnology Information database demonstrated that multiple 17βHSD isoforms are conserved across different fish species. Experimentally, we showed that metabolically active hepatic cytosolic preparations from 2 commercially important salmonid species, rainbow trout and lake trout, biotransformed E1 to E2 to a degree sufficient to alter results of competitive ER binding assays. These results from in silico and in vitro analyses indicate that E1 and biotransformation may play a significant role in adverse effects on development and reproduction of a variety of fish species in contaminated aquatic environments. Environ Toxicol Chem 2020;39:2028–2040. Published 2020. This article is a US Government work and is in the public domain in the USA.
Pharmacological Premature Termination Codon Readthrough of ABCB11 in Bile Salt Export Pump Deficiency: An In Vitro Study
Authors: Amzal Rachida , Thébaut Alice , Lapalus Martine , Almes Marion , Grosse Brigitte , Mareux Elodie , Collado‐Hilly Mauricette , Davit‐Spraul Anne , Bidou Laure , Namy Olivier , Jacquemin Emmanuel , Gonzales Emmanuel 
Published: July 2020

Background and Aims
Progressive familial intrahepatic cholestasis type 2 (PFIC2) is a severe hepatocellular cholestasis due to biallelic mutations in ABCB11 encoding the canalicular bile salt export pump (BSEP). Nonsense mutations are responsible for the most severe phenotypes. The aim was to assess the ability of drugs to induce readthrough of six nonsense mutations (p.Y354X, p.R415X, p.R470X, p.R1057X, p.R1090X, and p.E1302X) identified in patients with PFIC2.

Approach and Results
The ability of G418, gentamicin, and PTC124 to induce readthrough was studied using a dual gene reporter system in NIH3T3 cells. The ability of gentamicin to induce readthrough and to lead to the expression of a full‐length protein was studied in human embryonic kidney 293 (HEK293), HepG2, and Can 10 cells using immunodetection assays. The function of the gentamicin‐induced full‐length protein was studied by measuring the [3H]‐taurocholate transcellular transport in stable Madin‐Darby canine kidney clones co‐expressing Na+‐taurocholate co‐transporting polypeptide (Ntcp). Combinations of gentamicin and chaperone drugs (ursodeoxycholic acid, 4‐phenylbutyrate [4‐PB]) were investigated. In NIH3T3, aminoglycosides significantly increased the readthrough level of all mutations studied, while PTC124 only slightly increased the readthrough of p.E1302X. Gentamicin induced a readthrough of p.R415X, p.R470X, p.R1057X, and p.R1090X in HEK293 cells. The resulting full‐length proteins localized within the cytoplasm, except for BsepR1090X, which was also detected at the plasma membrane of human embryonic kidney HEK293 and at the canalicular membrane of Can 10 and HepG2 cells. Additional treatment with 4‐PB and ursodeoxycholic acid significantly increased the canalicular proportion of full‐length BsepR1090X protein in Can 10 cells. In Madin‐Darby canine kidney clones, gentamicin induced a 40% increase of the BsepR1090X [3H]‐taurocholate transport, which was further increased with additional 4‐PB treatment.

Conclusion
This study constitutes a proof of concept for readthrough therapy in selected patients with PFIC2 with nonsense mutations.
Financial conservatism, firm value and international business risk: Evidence from emerging economies around the global financial crisis
Authors: Machokoto Michael , Areneke Geofry , Nyangara Davis 
Published: July 2020

AbstractThe increase in debt‐free or under‐levered firms (financial conservatism) is one of the most recent stylized puzzles that cannot be explained within the context of extant capital structure theories. In this paper, we exploit the 2008–09 contractions in credit supply in a quasi‐natural experiment to examine whether financial conservatism affects firm value. Using a large sample of firms from seven African countries over the period 2003–2012, we find strong evidence that financial conservatism mitigates the adverse effect of contractions in credit supply on firm value for both local and international firms. Our results suggest that financial conservatism is an effective strategy for managing risks arising from contractions in credit supply and international business exposure. These findings provide novel empirical evidence on the value relevance of financial conservatism which shields firms from the adverse and far‐reaching effects of contractions in credit supply.
Economic integration and the currency and equity markets nexus
Authors: Aftab Muhammad , Ahmad Rubi , Ismail Izlin , Phylaktis Kate 
Published: July 2020

AbstractThe paper examines the impact of economic integration on the relationship between the currency and equity markets for a group of Asian emerging economies using both linear and non‐linear frameworks. We first derive the dynamic conditional correlations between the two markets and then examine the impact of economic integration on their relationship. Our main results are: (a) there is a negative correlation between real exchange rate changes and equity return differentials for all countries apart from China, which becomes deeper during the global financial crisis (GFC) for some of the countries; (b) economic integration, both real and financial, has an asymmetric impact on the relationship between the two markets both in the short‐run and in the long‐run; and (c) applying a linear framework does not bring out the impact of financial integration.
Cinchonine inhibits osteoclast differentiation by regulating TAK1 and AKT, and promotes osteogenesis
Authors: Jo You‐Jin , Lee Hye In , Kim Narae , Hwang Donghyun , Lee Jiae , Lee Gong‐Rak , Hong Seong‐Eun , Lee Hana , Kwon Minjeong , Kim Nam Young , Kim Hyun Jin , Park Jin Ha , Kang Ye Hee , Kim Han Sung , Lee Soo Young , Jeong Woojin 
Published: July 2020

AbstractCinchonine (CN) has been known to exert antimalarial, antiplatelet, and antiobesity effects. It was also recently reported to inhibit transforming growth factor β‐activated kinase 1 (TAK1) and protein kinase B (AKT) through binding to tumor necrosis factor receptor‐associated factor 6 (TRAF6). However, its role in bone metabolism remains largely unknown. Here, we showed that CN inhibits osteoclast differentiation with decreased expression of nuclear factor of activated T‐cells, cytoplasmic 1 (NFATc1), a key determinant of osteoclastogenesis. Immunoblot and quantitative real‐time polymerase chain reaction analysis as well as the reporter assay revealed that CN inhibits nuclear factor‐κB and activator protein‐1 by regulating TAK1. CN also attenuated the activation of AKT, cyclic AMP response element‐binding protein, and peroxisome proliferator‐activated receptor‐γ coactivator 1β (PGC1β), an essential regulator of mitochondrial biogenesis. Collectively, these results suggested that CN may inhibit TRAF6‐mediated TAK1 and AKT activation, which leads to downregulation of NFATc1 and PGC1β resulting in the suppression of osteoclast differentiation. Interestingly, CN not only inhibited the maturation and resorption function of differentiated osteoclasts but also promoted osteoblast differentiation. Furthermore, CN protected lipopolysaccharide‐ and ovariectomy‐induced bone destruction in mouse models, suggesting its therapeutic potential for treating inflammation‐induced bone diseases and postmenopausal osteoporosis.
Effectiveness of an adaptive eLearning intervention on dental students’ learning in comparison to traditional instruction
Authors: Alwadei Abdurahman H. , Tekian Ara S. , Brown Blasé P. , Alwadei Farhan H. , Park Yoon Soo , Alwadei Saleh H. , Harris Ilene B. 
Published: July 2020

AbstractThere is a great deal of excitement in higher education about the value of adaptive learning to personalize learning paths according to students’ individual needs. The authors explored the impact of an Adaptive Learning Platform (ALP) on learning, by comparing learning effectiveness between dental students who used the ALP in a blended learning environment formatively and summatively compared with students who did not use the ALP (i.e., face‐to‐face), as measured by students’ performance on the final exam in a single review preparatory course during the academic years 2013–2018. Paired t‐tests showed significant improvement in post‐test scores across different course instructional modalities (P < 0.01). The learning gain was greater for students who studied using the ALP summatively (t = 26.20) than those who used it formatively or studied using a face‐to‐face format (t = 13.10 and 14.13, respectively). Controlling for pre‐test scores, analysis of covariance tests indicate that: (1) intervention groups (formative and summative ALP) scored significantly higher than the traditional group (B = 9.34 points, P < 0.01, for summative ALP group) and (B = 4.47 points, P < 0.05, for formative ALP group), and (2) summative ALP group scored significantly higher than formative ALP group (B = 4.84 points, P < 0.05). This study provides empirical evidence that an adaptive learning intervention can have a significant impact on student learning performance. The success of any adaptive learning system relies mainly on sound instructional design. Technology will continue to grow at an overwhelming pace; the cautionary note the authors highlight is that conceptions of pedagogy, complemented by technology, must guide the development of adaptive learning systems.