bluuebunny/crossref_metadata_2025 huggingface dataset:
Design and Preparation of Lotus Root Knot Hierarchical Porous Carbon by Highly Efficient Chemistry Activation for Electric Double Layer Capacitors
Authors: Dang Le , Guo Jia‐Kang , Kong Ling‐Bin
Published: September 2021

In this work, utilizing lotus root knot as raw material, nitrogen and oxygen co‐doped hierarchical porous carbon with appropriate heteroatom doping, multi‐connected 3D pore structure and suitable pore size distribution were produced by carbonization and chemical activation step. The maximum specific surface area the biochar material reached was 3659 m2 g−1. These physical properties exhibit ultrahigh specific capacitance of up to 454.3 F g−1 in a supercapacitor of the three‐electrode system under the current density of 1 A g−1 and a capacitance retention rate of 81.5 % within the range of 1∼10 A g−1. Furthermore, the specific capacitance is maintained at 91.5 % of the initial value in a two‐electrode system after 10,000 cycles. In a two‐electrode system with tetraethylammonium tetrafluoroborate (TEABF4)/acetonitrile (ACN) solution as the electrolyte. The voltage window attained was 3 V with high energy density of 51.4 Wh kg−1 under the power density of 750 W kg−1. These results show that the assembled supercapacitors provide excellent energy and power density at the same time.
Study of a Stable “Trifluoromethoxide Anion Solution” Arising from 2,4‐Dinitro‐Trifluoromethoxybenzene
Authors: Bonnefoy Clémence , Chefdeville Emmanuel , Panosian Armen , Hanquet Gilles , Leroux Frédéric R. , Toulgoat Fabien , Billard Thierry
Published: September 2021

Despite recent advances, trifluoromethoxylation remains a challenging reaction. Here we describe an efficient trifluoromethoxylative substitution, using an inexpensive and easy‐to‐handle reagent. By mixing DMAP with a slight excess of 1,4‐dinitro‐trifluoromethoxybenzene (DNTFB), a stable solution of trifluoromethoxide anion is obtained and can be used to perform a SN2 reaction without any silver additives. A precise study of the properties and behavior of this unusual stable solution of CF3O−species is also performed.
The Role of Common Alcoholic Sacrificial Agents in Photocatalysis: Is It Always Trivial?
Authors: Sathiyan Krishnamoorthy , Bar‐Ziv Ronen , Marks Vered , Meyerstein Dan , Zidki Tomer
Published: September 2021

Photocatalytic hydrogen production is proposed as a sustainable energy source. Simultaneous reduction and oxidation of water is a complex multistep reaction with high overpotential. Photocatalytic processes involving semiconductors transfer electrons from the valence band to the conduction band. Sacrificial substrates that react with the photochemically formed holes in the valence band are often used to study the mechanism of H2 production, as they scavenge the holes and hinder charge carrier recombination (electron‐hole pairs). Here, we show that the desired sacrificial agent is one forming a radical that is a fairly strong reducing agent, and whose oxidized form is not a good electron acceptor that might suppress the hydrogen evolution reaction (HER). In an acidic medium, methanol was found to fulfill both these requirements better than ethanol and propan‐2‐ol in the TiO2‐(M0‐NPs) (M=Au or Pt) system, whereas in an alkaline medium, the alcohols exhibit a reverse order of activity. Moreover, we report that CH2(OH)2 is by far the most efficient sacrificial agent in a nontrivial mechanism in acidic media. Our study provides general guidelines for choosing an appropriate sacrificial substrate and helps to explain the variance in the performance of alcohol scavenger‐based photocatalytic systems.
Expanding the Chemical Space of Tetracyanobuta‐1,3‐diene (TCBD) through a Cyano‐Diels‐Alder Reaction: Synthesis, Structure, and Physicochemical Properties of an Anthryl‐fused‐TCBD Derivative
Authors: Mateo Luis M. , Sagresti Luca , Luo Yusen , Guldi Dirk M. , Torres Tomas , Brancato Giuseppe , Bottari Giovanni
Published: September 2021

Tetracyanobuta‐1,3‐diene (TCBD) is a powerful and versatile electron‐acceptor moiety widely used for the preparation of electroactive conjugates. While many reports addressing its electron‐accepting capability have appeared in the literature, significantly scarcer are those dealing with its chemical modification, a relevant topic which allows to broaden the chemical space of this interesting functional unit. Here, we report on the first example of a high‐yielding cyano‐Diels‐Alder (CDA) reaction between TCBD, that is, where a nitrile group acts as a dienophile, and an anthryl moiety, that is, acting as a diene. The resulting anthryl‐fused‐TCBD derivative, which structure was unambiguously identified by X‐ray diffraction, shows high thermal stability, remarkable electron‐accepting capability, and interesting electronic ground‐ and excited‐state features, as characterized by a thorough theoretical, electrochemical, and photophysical investigation. Moreover, a detailed kinetic analysis of the intramolecular CDA reaction transforming the anthryl‐TCBD‐based reactant into the anthryl‐fused‐TCBD product was carried out at different temperatures.
Lewis Superacidic Tellurenyl Cation‐Induced Electrophilic Activation of an Inert Carborane
Authors: Hejda Martin , Duvinage Daniel , Lork Enno , Lyčka Antonín , Černošek Zdeněk , Macháček Jan , Makarov Sergey , Ketkov Sergey , Mebs Stefan , Dostál Libor , Beckmann Jens
Published: September 2021

The aryltellurenyl cation [2‐(tBuNCH)C6H4Te]+, a Lewis super acid, and the weakly coordinating carborane anion [CB11H12]−, an extremely weak Brønsted acid (pKa=131.0 in MeCN), form an isolable ion pair complex [2‐(tBuNCH)C6H4Te][CB11H12], in which the Brønsted acidity (pKa 7.4 in MeCN) of the formally hydridic B−H bonds is dramatically increased by more than 120 orders of magnitude. The electrophilic activation of B−H bonds in the carborane moiety gives rise to a proton transfer from boron to nitrogen at slightly elevated temperatures, as rationalized by the isolation of a mixture of the zwitterionic isomers 12‐ and 7‐[2‐(tBuN{H}CH)C6H4Te(CB11H11)] in ratios ranging from 62 : 38 to 80 : 20.
Synergistic Peptide and Gold Catalysis: Enantioselective Addition of Branched Aldehydes to Allenamides
Authors: Nicholls Leo D. M. , Wennemers Helma
Published: September 2021

The combination of a peptide catalyst and a gold catalyst is presented for enantioselective addition reactions between branched aldehydes and allenamides. The two catalysts act in concert to provide γ,δ‐enamide aldehydes bearing a fully substituted, benzylic stereogenic center – a structural motif common in many natural products and therapeutically active compounds – with good yields and enantioselectivities. The reaction tolerates a variety of alkyl and alkoxy substituted aldehydes and the products can be elaborated into several chiral building blocks bearing either 1,4‐ or 1,5‐ functional group relationships. Mechanistic studies showed that the conformational features of the peptide are important for both the catalytic efficiency and stereochemistry, while a balance of acid/base additives is key for ensuring formation of the desired product over undesired side reactions.
The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT Study
Authors: Morteo‐Flores Fabian , Roldan Alberto
Published: September 2021

The acid‐base character of oxide supports is crucial for catalytic reactions. In this work, the acid‐base properties of five oxide surfaces common in heterogeneous catalysis were investigated and related to their interaction with monolignol compounds derived from lignin. We have used density functional theory simulations also to understand the role of the surfaces’ hydroxylation state. The results show that moderate hydroxyl coverage on the amphoteric γ‐Al2O3 (110) slightly strengthens the oxy‐compounds’ adsorption due to an increase in Lewis acidity. Similarly, low hydroxyl coverage on the reducible TiO2 (101) enlarges its adsorption capacity by up to 42 % compared with its clean surface. The higher affinity is attributed to the more favourable interaction between the surface‐OH groups and the aromatic rings. Overall, the results indicate that hydroxyl coverage enhances the amphoteric and reducible adsorption capacity towards aromatic species.
Physiologically Based Pharmacokinetic Modelling to Investigate the Impact of the Cytokine Storm on CYP3A Drug Pharmacokinetics in COVID‐19 Patients
Authors: Stader Felix , Battegay Manuel , Sendi Parham , Marzolini Catia
Published: September 2021

Patients with coronavirus disease 2019 (COVID‐19) may experience a cytokine storm with elevated interleukin‐6 (IL‐6) levels in response to severe acute respiratory syndrome‐coronavirus 2 (SARS‐CoV‐2). IL‐6 suppresses hepatic enzymes, including CYP3A; however, the effect on drug exposure and drug‐drug interaction magnitudes of the cytokine storm and resulting elevated IL‐6 levels have not been characterized in patients with COVID‐19. We used physiologically‐based pharmacokinetic (PBPK) modeling to simulate the effect of inflammation on the pharmacokinetics of CYP3A metabolized drugs. A PBPK model was developed for lopinavir boosted with ritonavir (LPV/r), using clinically observed data from people living with HIV (PLWH). The inhibition of CYPs by IL‐6 was implemented by a semimechanistic suppression model and verified against clinical data from patients with COVID‐19, treated with LPV/r. Subsequently, the verified model was used to simulate the effect of various clinically observed IL‐6 levels on the exposure of LPV/r and midazolam, a CYP3A model drug. Clinically observed LPV/r concentrations in PLWH and patients with COVID‐19 were predicted within the 95% confidence interval of the simulation results, demonstrating its predictive capability. Simulations indicated a twofold higher LPV exposure in patients with COVID‐19 compared with PLWH, whereas ritonavir exposure was predicted to be comparable. Varying IL‐6 levels under COVID‐19 had only a marginal effect on LPV/r pharmacokinetics according to our model. Simulations showed that a cytokine storm increased the exposure of the CYP3A paradigm substrate midazolam by 40%. Our simulations suggest that CYP3A metabolism is altered in patients with COVID‐19 having increased cytokine release. Caution is required when prescribing narrow therapeutic index drugs particularly in the presence of strong CYP3A inhibitors.
Circular Polarization of Luminescence as a Tool To Study Molecular Dynamical Processes
Authors: Meskers Stefan C. J.
Published: September 2021

Circular polarization of luminescence is a phenomenon that can be observed for chiral molecules in isotropic solution, for molecular aggregates and molecular materials. Also, the electroluminescence from chiral molecular materials in organic light emitting diodes can be nearly completely circularly polarized. In this review we focus on the latest developments in experimental results for the categories listed above. A unifying description of the origin of the circular polarization is still missing. We revisit the very earliest efforts to measure and understand circular polarization in light emission in order to better understand the present day confusion on the origins of the polarization. It seems that quantum field theory of electromagnetic interactions could provide leads for a comprehensive description of the circular polarization including contributions from helicity at all possible length scales from the molecular to the macroscopic.
Sequential Indirect Dual Immunohistochemistry with Primary Rabbit Antibodies on Cochlear Sections Using an Intermediate Heat‐Denaturation Step
Authors: Luque Maria , Glueckert Rudolf
Published: September 2021

Advanced immunohistochemical (IHC) protocols aim to visualize different molecules in situ simultaneously. These techniques are of utmost importance as a first step in studying possible interactions of proteins at the subcellular level. Colocalized stains in tissue sections indicate proximity of two proteins of interest. Frequently, double staining protocols are restricted by the lack of primary antibodies generated in different animal species for indirect IHC visualization. Here, we present a detailed protocol for mouse inner ear tissue using two different primary rabbit antibodies directed against transmembrane ion channel proteins of cochlear neurons. The two antibodies are combined for fluorescence (confocal) as well as dual multiplex colorimetric visualization in two sequential single IHC stainings. A heat‐denaturation step is performed in between. Primary antibody specificity is tested by preadsorption with the immunogenic peptide, and positive and negative tissue controls are performed to confirm the reliability of the antibody detection. We describe the whole procedure in detail beginning with tissue extraction of the mouse inner ear and continuing with chemical fixation, cryoembedding, and preparation for manual and fully automated immunostaining, including steps for heat‐induced antigen retrieval. The potential to use antibodies from the same host species for single and double IHC staining opens up multiple possibilities for detecting different targets in the same tissue section using resources and materials that are widely available. © 2021 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Tissue preparation, cryoembedding, and sectioning

Basic Protocol 2: Double colorimetric immunostaining with an automatic immunostainer

Basic Protocol 3: Double manual fluorometric immunostaining with fluorescence
Linking environmentally‐specific transformational leadership and employees' green advocacy: The influence of leadership integrity
Authors: Crucke Saskia , Servaes Marie , Kluijtmans Tom , Mertens Shana , Schollaert Eveline
Published: September 2021

Given the environmental challenges facing organizations, there is an increasing interest in how to stimulate the green behavior of employees. This study focuses on how leaders foster green advocacy, a specific category of green behavior that refers to influencing others to demonstrate green behavior by sharing environmental knowledge and discussing environmental issues. Our study, using a sample of 363 employees of a Belgian grocery retail company, provides valuable insights on the complex role of leaders in stimulating green advocacy. The results reveal that environmentally‐specific transformational leadership is positively related to employees' green advocacy. Our results further provide insights into the underlying mechanisms explaining this relationship, as we find that environmentally‐specific transformational leadership is indirectly related to employees' green advocacy through environmental CSR and organizational environmental support. Finally, leadership integrity is found to positively moderate the direct as well as the indirect relationship between environmentally‐specific transformational leadership and green advocacy.
Detection of REST expression in the testis using epitope‐tag knock‐in mice generated by genome editing
Authors: Kimura Ryuichi , U. Inoue Yukiko , Kikkawa Takako , Tatehana Misako , Morimoto Yuki , Inada Hitoshi , Oki Shinya , Inoue Takayoshi , Osumi Noriko
Published: September 2021

Background

Repressor element 1‐silencing transcription factor (REST) is a master regulator that is highly expressed in multipotent stem cells to repress gene networks involving a wide range of biological processes. A recent study has suggested that REST might be involved in a misregulation of its target genes in the embryonic brain of offspring derived from aged fathers. However, detailed analyses of the REST function in spermatogenesis are lacking due to difficulty in the detection of REST protein in specific cell types.

Results

To determine localization of REST, we generated an epitope tag knock‐in (KI) mouse line with the C‐terminus insertion of a podoplanin (PA)‐tag at an endogenous Rest locus by the CRISPR/Cas9 system. Localization of the PA‐tag was confirmed in neural stem cells marked with Pax6 in the embryonic brain. Moreover, PA‐tagged REST was detected in undifferentiated and differentiating spermatogonia as well as Sertoli cells in both neonatal and adult testes.

Conclusions

We demonstrate that REST is expressed at the early step of spermatogenesis and suggest a possibility that REST may modulate the epigenetic state of male germline cells. Our KI mice may be useful for studying REST‐associated molecular mechanisms of neurodevelopmental and age‐related disorders.
Investigating L2 reading aloud and silent reading in typically developing readers and dyslexic adolescents from grades 6 to 9
Authors: Commissaire Eva , Demont Elisabeth
Published: September 2021

The goal of this study was to examine the reading performance of French typically developing readers and dyslexic adolescents from grades 6 to 9 in English as a second language (L2) learned in a school context. Lexicality effects and the impact of two sub‐lexical variables, that is cross‐language orthographic markedness and congruency of grapheme‐to‐phoneme correspondences (GPCs), were investigated in three tasks: L2 reading aloud and lexical decision, and L2‐to‐L1 translation. English words and nonwords were divided into three conditions: (a) marked condition in which items have an L2‐specific orthographic pattern (e.g., town), (b) unmarked congruent condition in which items have an L1/L2 shared orthography and similar GPCs across languages (e.g., fast) and (c) unmarked incongruent condition that contains incongruent GPCs across languages (e.g., dirt). The results yielded a significant deficit in dyslexic readers in all three tasks, suggesting poor decoding but also poor lexical orthographic representations in L2 and difficulties in connecting form to semantic representations. This deficit was mostly observed for the unmarked incongruent conditi‐on, highlighting the need to carefully manipulate the sub‐lexical features of items when examining L2 reading. The results are discussed in relation to the cross‐language transfer hypothesis and to mono‐ and bilingual models of reading.
Decline of unique Pontocaspian biodiversity in the Black Sea Basin: A review
Authors: Gogaladze Aleksandre , Son Mikhail O. , Lattuada Matteo , Anistratenko Vitaliy V. , Syomin Vitaly L. , Pavel Ana Bianca , Popa Oana P. , Popa Luis O. , ter Poorten Jan‐Johan , Biesmeijer Jacobus C. , Raes Niels , Wilke Thomas , Sands Arthur F. , Trichkova Teodora , Hubenov Zdravko K. , Vinarski Maxim V. , Anistratenko Olga Yu , Alexenko Tatiana L. , Wesselingh Frank P.
Published: September 2021

The unique aquatic Pontocaspian (PC) biota of the Black Sea Basin (BSB) is in decline. The lack of detailed knowledge on the status and trends of species, populations, and communities hampers a thorough risk assessment and precludes effective conservation. This paper reviews PC biodiversity trends in the BSB (Bulgaria, Romania, Moldova, Ukraine, and Russia) using endemic mollusks as a model group. We aim to assess changes in PC habitats, community structure, and species distribution over the past century and to identify direct anthropogenic threats. The presence/absence data of target mollusk species were assembled from literature, reports, and personal observations. Pontocaspian biodiversity trends in the northwestern BSB coastal regions were established by comparing 20th‐ and 21st‐century occurrences. The direct drivers of habitat and biodiversity change were identified and documented. We found that a pronounced decline of PC species and communities is driven by (a) damming of rivers, (b) habitat modifications that disturbed previous natural salinity gradients and settings in the studied area, (c) pollution and eutrophication, (d) invasive alien species, and (e) climate change. Four out of the 10 studied regions, namely, the Danube Delta–Razim Lake system, Dniester Liman, Dnieper–Bug estuary, and Taganrog Bay–Don Delta, contain favorable ecological conditions for PC communities and still host threatened endemic PC mollusk species. Distribution data are incomplete, but the scale of deterioration of PC species and communities is evident from the assembled data, as are major direct threats. Pontocaspian biodiversity in the BSB is profoundly affected by human activities. Standardized observation and collection data as well as precise definition of PC biota and habitats are necessary for targeted conservation actions. This study will help to set the research and policy agenda required to improve data collection to accommodate effective conservation of the unique PC biota.
Cost‐utility analysis of add‐on dapagliflozin in heart failure with reduced ejection fraction in the Philippines
Authors: Mendoza Victor L. , Tumanan‐Mendoza Bernadette A. , Punzalan Felix Eduardo R.
Published: September 2021

Aim

We aim to determine the cost‐effectiveness of dapagliflozin in addition to standard therapy versus standard therapy alone among patients with heart failure with reduced ejection fraction (HFrEF) using the public healthcare provider's perspective in the Philippines.

Methods and results

A thousand Filipino patients with HFrEF (with or without type 2 diabetes mellitus) were included in a simulation cohort using a lifetime Markov model. The model, which was developed based on the results of the Dapagliflozin and Prevention of Adverse Outcomes in Heart Failure trial, was composed of three health states. These were ‘alive without an event’ (chronic heart failure state), ‘alive but was hospitalized for heart failure’ (worsening heart failure), and ‘dead’ (death from any cause). Data regarding costs and utilities were obtained from previous studies and local data. These were used to estimate the incremental cost per quality‐adjusted life‐year (ICER). A 3% annual discount rate was used for both costs and effects. One‐way (deterministic) and probabilistic sensitivity analyses as well as scenario analyses were performed. The ICER for the addition of dapagliflozin to standard therapy among HFrEF patients was PHP177 868 (US$3434) and PHP160 983 (US$3108), respectively, if the present price (PHP44.00) and possible negotiated unit cost of dapagliflozin 10 mg tablet (PHP40.00) were used. These were deemed cost‐effective because they were both below the threshold ICER which was equivalent to the gross domestic product per capita of the Philippines in 2019, PHP180 500 (US$3485). Using the unit costs of dapagliflozin previously mentioned, the ICERs among HFrEF patients with diabetes were PHP132 582 (US$2560) and PHP120 249 (US$2321), respectively. Doing PSA involving Monte Carlo simulation of 10 000 iterations and plotting the resulting ICERs against the threshold ICER in the cost‐effectiveness acceptability curves, these ICERs for HFrEF among diabetics were determined to be 72% and 76% cost‐effective.

Conclusion

Dapagliflozin added to standard therapy for HFrEF patients is likely to be cost‐effective using the perspective of the Philippine public healthcare provider.
Sympathetic vasoconstrictor activity before and after left ventricular assist device implantation in patients with end‐stage heart failure
Authors: Heusser Karsten , Wittkoepper Judith , Bara Christoph , Haverich Axel , Diedrich André , Levine Benjamin D. , Schmitto Jan D. , Jordan Jens , Tank Jens
Published: September 2021

Aims

Sympathetic overactivity, which predicts poor outcome in patients with heart failure, normalizes following cardiac transplantation. We tested the hypothesis that haemodynamic improvement following left ventricular assist device (LVAD) implantation is also associated with reductions in centrally generated sympathetic activity.

Methods and results

In eight patients with heart failure (two women, six men, age 44–66 years), we continuously recorded electrocardiogram, beat‐to‐beat finger blood pressure, respiration, and muscle sympathetic nerve activity (MSNA) before and after implantation of the continuous‐flow LVAD devices HeartWare HVAD (n = 4) and HeartMate II (n = 2), and the non‐continuous‐flow device HeartMate 3 (n = 2). LVAD implantation increased cardiac output by 1.29 ± 0.88 L/min (P = 0.060) and mean arterial pressure by 16.2 ± 7.9 mmHg (P < 0.001), while reducing pulse pressure by 25.3 ± 9.8 mmHg (P < 0.001). LVAD implantation did not change MSNA burst frequency (−1.3 ± 7.5 bursts/min, P = 0.636), total activity (+0.62 ± 1.83 au, P = 0.369), or normalized activity (+0.63 ± 4.23, P = 0.685). MSNA burst incidence was decreased (−7.8 ± 9.3 bursts/100 heart beats, P = 0.049). However, cardiac ectopy altered MSNA bursting patterns that could be mistaken for sympatholysis.

Conclusion

Implantation of current design LVAD does not consistently normalize sympathetic activity in patients with end‐stage heart failure despite haemodynamic improvement.
Ammonium Chloride‐Promoted Rapid Synthesis of Monosubstituted Ureas under Microwave Irradiation
Authors: Lan Chunling Blue , Auclair Karine
Published: September 2021

Monosubstituted ureas are important scaffolds in organic chemistry. They appear in various biologically active compounds and serve as versatile precursors in synthesis. Monosubstituted ureas were originally prepared using toxic and hazardous phosgene equivalents. Modern methods include transamidation of urea and nucleophilic addition to cyanate salts, both of which suffer from a narrow substrate scope due to the need for a strong acid and prolonged reaction times. We hereby report that ammonium chloride can promote the reaction between amines and potassium cyanate to generate monosubstituted ureas in water. This method proceeds rapidly under microwave irradiation and tolerates a broad range of functional groups. Unlike previous strategies, it is compatible with other nucleophiles, acid‐labile moieties, and most of the common protecting groups. The products precipitate out of solution, allowing facile isolation without column chromatography.
Abrasive Blasting of Lithium Metal Surfaces Yields Clean and 3D‐Structured Lithium Metal Anodes with Superior Properties
Authors: Wolf Andreas , Lorrmann Henning , Flegler Andreas , Wolf Andreas J. , Guerﬁ Abdelbast , Mandel Karl , Giffin Guinevere A.
Published: September 2021

Avoiding harmful passivation of the lithium metal surface during its implementation as an anode material is a challenge to its use in rechargeable lithium metal batteries. It is critical to control the chemical composition and the morphology of the native passivation layer and to avoid contamination by lubricants or other substances involved in the processing. Herein, abrasive blasting is used as a physical method to achieve clean and 3D‐structured lithium metal electrodes. The careful choice of the abrasive agent and the blasting parameters results in well‐controlled surface properties. The blasted lithium electrodes exhibit significantly lower overvoltages with values as low as 10 mV at 0.1 mA cm−2. Electrochemical impedance spectroscopy shows that blasted lithium has interface resistances that are up to five times smaller than those of untreated lithium. The effectiveness of blasting as a cleaning method is clear even in the case of thicker and highly resistive passivation layers occurring after exposure to ambient air.
High‐Efficiency Stable Flexible Organic Solar Cells with PEDOT:PSS Electrodes via Superacid Fumigation Treatment
Authors: Wen Rongjiang , Huang Huihui , Wan Juanyong , Wen Shuangchun , Wang Jinzhao , Fan Xi
Published: September 2021

Strong acid treatment is regarded as the most effective approach to increase the electrical conductivity of poly(3,4‐ethylenedioxythiophene):poly(4‐styrenesulfonate) (PEDOT:PSS) electrodes. However, the conventional soaking treatments of strong acids have drawbacks, including limited flexibility of PEDOT:PSS electrodes coated on thermoplastic underlying substrates, high preparation cost with large acid consumption, and moderate stability of flexible organic solar cells (OSCs). Herein, a unique and cost‐effective fumigation treatment using trifluoromethanesulfonic acid (CF3SO3H) vapors is proposed. The CF3SO3H fumigation treatment leads to a highly conductive, smooth, homogeneous, and flexible PEDOT:PSS electrode. On the basis of the CF3SO3H‐fumigated PEDOT:PSS electrodes, the inverted flexible OSCs yield a high power conversion efficiency (PCE) of 13.62%. Moreover, the flexible solar cells maintain most (≈91%) of the initial efficiency in long‐term storage. This work provides a novel route to make solution‐processed flexible OSCs simultaneously have a high PCE and good storage stability.
A review and analysis of secure and lightweight ECC‐based RFID authentication protocol for Internet of Vehicles
Authors: Kumar Sanjeev , Banka Haider , Kaushik Baijnath , Sharma Surbhi
Published: September 2021

Radio‐frequency identification (RFID) technology has proliferated over the last few years and being deployed as identification technology in numerous domains like intelligent transportation systems (ITS) and Internet of Vehicles (IoV) for applications like road safety, efficient traffic management, automatic toll collection, intelligent parking, etc. As RFID devices, as well as the possible domains of ITS and IoV onto which the RFID technology can be deployed, are usually resource‐constrained, thus, security and privacy become a major concern. So, public‐key cryptography becomes the better choice for enhancing the security of RFID based systems. Elliptic curve cryptography (ECC) is one of the dominant and secure asymmetric‐key cryptosystems being used for RFID security due to its smaller key size. Numerous RFID authentication schemes based on ECC have been suggested in literature, however, the majority has various serious security weaknesses. To bridge those existing security weaknesses, an enhanced ECC based light weight protocol for RFID systems has been proposed in this article. An extensive security analysis has been performed to demonstrate various secure features offered by our proposed protocol, and formal security analysis is being conducted using Automated Validation of Internet Security Protocols and Applications tool. The performance of our proposed RFID protocol has been compared with various existing RFID based security solutions on the basis of parameters, that is, computational cost, communication cost, and storage requirement. Simulation results indicate that the proposed lightweight protocol is more secure and performance efficient than the existing RFID protocols, and is well suited for practical applications.
Payment schemes and treatment responses after a demand shock in mental health care
Authors: Douven Rudy , Remmerswaal Minke , Vervliet Tobias
Published: September 2021

We study whether two groups of mental health care providers—each paid according to a different payment scheme—adjusted the duration of their patients' treatments after they faced an exogenous 20% drop in the number of patients. For the first group of providers, self‐employed providers, we find that they did not increase treatment duration to recoup their income loss. Treatment duration thresholds in the stepwise fee‐for‐service payment function seem to have prevented these providers to treat patients longer. For the second group of providers, large mental health care institutions who were subject to a budget constraint, we find an average increase in treatment duration of 8%. Prior rationing combined with professional uncertainty can explain this increase. We find suggestive evidence for overtreatment of patients as the longer treatments did not result in better patient outcomes, i.e. better General Assessment of Functioning scores.
Optimizing hepatitis B virus screening in the United States using a simple demographics‐based model
Authors: Ramrakhiani Nathan S. , Chen Vincent L. , Le Michael , Yeo Yee Hui , Barnett Scott D. , Waljee Akbar K. , Zhu Ji , Nguyen Mindie H.
Published: September 2021

Background and Aims

Chronic hepatitis B (CHB) affects >290 million persons globally, and only 10% have been diagnosed, presenting a severe gap that must be addressed. We developed logistic regression (LR) and machine learning (ML; random forest) models to accurately identify patients with HBV, using only easily obtained demographic data from a population‐based data set.

Approach and Results

We identified participants with data on HBsAg, birth year, sex, race/ethnicity, and birthplace from 10 cycles of the National Health and Nutrition Examination Survey (1999–2018) and divided them into two cohorts: training (cycles 2, 3, 5, 6, 8, and 10; n = 39,119) and validation (cycles 1, 4, 7, and 9; n = 21,569). We then developed and tested our two models. The overall cohort was 49.2% male, 39.7% White, 23.2% Black, 29.6% Hispanic, and 7.5% Asian/other, with a median birth year of 1973. In multivariable logistic regression, the following factors were associated with HBV infection: birth year 1991 or after (adjusted OR [aOR], 0.28; p < 0.001); male sex (aOR, 1.49; p = 0.0080); Black and Asian/other versus White (aOR, 5.23 and 9.13; p < 0.001 for both); and being USA‐born (vs. foreign‐born; aOR, 0.14; p < 0.001). We found that the ML model consistently outperformed the LR model, with higher area under the receiver operating characteristic values (0.83 vs. 0.75 in validation cohort; p < 0.001) and better differentiation of high‐ and low‐risk persons.

Conclusions

Our ML model provides a simple, targeted approach to HBV screening, using only easily obtained demographic data.
Alcohol‐Induced Liver Injury: Down‐regulation and Redistribution of Rab3D Results in Atypical Protein Trafficking
Authors: Casey Carol A. , Macke Amanda J. , Gough Ryan R. , Pachikov Artem N. , Morris Mary E. , Thomes Paul G. , Kubik Jacy L. , Holzapfel Melissa S. , Petrosyan Armen
Published: September 2021

Previous work from our laboratories has identified multiple defects in endocytosis, protein trafficking, and secretion, along with altered Golgi function after alcohol administration. Manifestation of alcohol‐associated liver disease (ALD) is associated with an aberrant function of several hepatic proteins, including asialoglycoprotein receptor (ASGP‐R), their atypical distribution at the plasma membrane (PM), and secretion of their abnormally glycosylated forms into the bloodstream, but trafficking mechanism is unknown. Here we report that a small GTPase, Rab3D, known to be involved in exocytosis, secretion, and vesicle trafficking, shows ethanol (EtOH)–impaired function, which plays an important role in Golgi disorganization. We used multiple approaches and cellular/animal models of ALD, along with Rab3D knockout (KO) mice and human tissue from patients with ALD. We found that Rab3D resides primarily in trans‐ and cis‐faces of Golgi; however, EtOH treatment results in Rab3D redistribution from trans‐Golgi to cis‐medial‐Golgi. Cells lacking Rab3D demonstrate enlargement of Golgi, especially its distal compartments. We identified that Rab3D is required for coat protein I (COPI) vesiculation in Golgi, and conversely, COPI is critical for intra‐Golgi distribution of Rab3D. Rab3D/COPI association was altered not only in the liver of patients with ALD but also in the donors consuming alcohol without steatosis. In Rab3D KO mice, hepatocytes experience endoplasmic reticulum (ER) stress, and EtOH administration activates apoptosis. Notably, in these cells, ASGP‐R, despite incomplete glycosylation, can still reach cell surface through ER‐PM junctions. This mimics the effects seen with EtOH‐induced liver injury. Conclusion

:
We revealed that down‐regulation of Rab3D contributes significantly to EtOH‐induced Golgi disorganization, and abnormally glycosylated ASGP‐R is excreted through ER‐PM connections, bypassing canonical (ER→Golgi→PM) anterograde transportation. This suggests that ER‐PM sites may be a therapeutic target for ALD.
Long‐term (beyond 5 years) clinical impact of Xience everolimus‐eluting stent implantation
Authors: Matsuda Hiroaki , Suzuki Yoriyasu
Published: September 2021

Objects

We aim at examining the long‐term clinical outcome after Xience everolimus‐eluting stent (X‐EES) implantation.

Background

Long‐term clinical outcomes beyond 5 years after X‐EES implantation remain unclear.

Methods

This retrospective study has collected data from 1184 consecutive patients, corresponding to 1463 lesions, who were treated with X‐EES alone in the Nagoya Heart Center between January 2010 and December 2013. The primary endpoint was the 10‐year cumulative incidence of target lesion failure (TLF), defined as cardiac death, target vessel myocardial infarction (MI), and clinically indicated target lesion revascularization (TLR). Definite/probable stent thrombosis (ST) was evaluated as a secondary outcome.

Results

At 10 years, the cumulative incidence of TLF was recorded to be 12.4%, whereas that of cardiac death, target vessel MI, and clinically indicated TLR was at 4.4%, 4.1%, and 7.8%, respectively. The cumulative rate of definite/probable ST was observed to remain low (0.3% at 30 days; 0.3% at 1 year; 0.6% at 5 years; and 1.1% at 10 years). In the multivariate analysis, the risk factors of TLF were insulin‐treated diabetes (hazard ratio (HR), 1.93; 95% confidence interval (CI), 1.13‐3.29; P = .02), left ventricular dysfunction (HR, 2.28; 95% CI, 1.43‐3.62; P < .01), hemodialysis (HR, 2.22; 95% CI, 1.39‐3.56; P < .01), prior percutaneous coronary intervention (HR, 1.68; 95% CI, 1.18‐2.41; P < .01), peripheral vascular disease (HR, 1.70; 95% CI, 1.07‐2.69; P < .01), severe calcification (HR, 2.08; 95% CI, 1.36‐3.09; P < .01), and in‐stent restenosis (HR, 2.93; 95% CI, 1.64‐4.89; P < .01).

Conclusions

The incidence rates of the long‐term adverse effects after X‐EES implantation, such as late TLR and ST, were determined to be low in this study; however, they increased over time until 10 years after stent implantation.
The law and economics of lockdown mitigation: Bankruptcy errors in the United Kingdom
Authors: Hardman Jonathan
Published: September 2021

The United Kingdom Government has undertaken unprecedented economic activity to support UK business during the COVID‐19 pandemic. This article applies the law and economics of corporate bankruptcy to these provisions. In particular, it examines whether legal responses to the pandemic encourage Type I bankruptcy errors (where a company that could be saved enters a terminal insolvency process) or Type II bankruptcy errors (where a company that could not be saved avoids a terminal insolvency process). Whilst more could undoubtedly have been done, it seems that the UK Government's actions to avoid Type I errors arising from the pandemic may have caused Type II errors. More pertinently, it is almost impossible for the UK Government to lift these protections in a neutral way – if all are uniformly lifted too soon, then this will result in Type I errors; if all are uniformly lifted too late, then this will result in Type II errors. It is impossible and undesirable to decide when to lift protections on a case‐by‐case basis, and any attempt to selectively lift protections results in the UK Government deciding which sectors have advantages post‐COVID‐19 and which do not. Accordingly, in setting and lifting legal protections, the UK Government finds itself a key market actor in deciding the post‐COVID‐19 shape of the UK market.
Principles and rules on insolvency practitioners' remuneration
Authors: Wee Meng Seng , Kiu Yan Yu
Published: September 2021

Overcharging by insolvency practitioners is a problem that has invited legislative and judicial intervention in several commonwealth jurisdictions, and it continues to be a concern in many of them. Such regulation is justified because of the failure of unsecured creditors to effectively monitor and control the practitioner's charges, leading to failure in the insolvency practitioners' services market. However, the rules on fixing the practitioner's remuneration are not always aligned with basic principles, and their applications can be challenging. From the vantage point that regulations should seek to combat market failure, this article elucidates the principles and rules that ought to apply in fixing insolvency practitioners' remuneration. It analyses who ought to be empowered to set remuneration, the rules on disclosure, the meaning of the value of services rendered and the approaches of the courts in computing value, by reference to the laws of England, Singapore and Hong Kong SAR, and suggests reforms to make the rules consistent with the identified principles.
Chinese personal bankruptcy regulation: The Shenzhen experience
Authors: Xie Pingyao
Published: September 2021

Although Chinese policymakers have enacted a new bankruptcy system in 2007, they did not cover individuals in the system. Recently, Chinese legislators have recognised the necessity of a personal bankruptcy system. Legislators expect a personal bankruptcy system can address unenforceable cases in the judicial system and promote entrepreneurship. Against this backdrop, Shenzhen personal bankruptcy regulation has been introduced. The regulation has provided several treatment to individual over‐indebtedness: bankruptcy, debt reorganization and compromise. By theoretically analyzing the institutional framework of the regulation, this paper considers that it can partly achieve legislative objectives.
Exposure‐toxicity relationship of cabozantinib in patients with renal cell cancer and salivary gland cancer
Authors: Krens Stefanie D. , van Boxtel Wim , Uijen Maike J. M. , Jansman Frank G. A. , Desar Ingrid M. E. , Mulder Sasja F. , van Herpen Carla M. L. , van Erp Nielka P.
Published: September 2021

Cabozantinib is registered in fixed 60 mg dose. However, 46% to 62% of patients in the registration studies needed a dose reduction due to toxicity. Improved clinical efficacy has been observed in renal cell carcinoma patients (RCC) with a cabozantinib exposure greater than 750 μg/L. In our study we explored the cabozantinib exposure in patients with different tumour types. We included RCC patients from routine care and salivary gland carcinoma (SGC) patients from a phase II study with ≥1 measured Cmin at steady‐state. The geometric mean (GM) Cmin at the starting dose, at 40 mg and at best tolerated dose (BTD) were compared between both tumour types. Forty‐seven patients were included. All SGC patients (n = 22) started with 60 mg, while 52% of RCC patients started with 40 mg. GM Cmin at the start dose was 1456 μg/L (95% CI: 1185‐1789) vs 682 μg/L (95% CI: 572‐812) (P < .001) for SGC and RCC patients, respectively. When dose‐normalised to 40 mg, SGC patients had a significantly higher cabozantinib exposure compared to RCC patients (Cmin 971 μg/L [95% CI: 790‐1193] vs 669 μg/L [95% CI: 568‐788]) (P = .005). Dose reductions due to toxicity were needed in 91% and 60% of SGC and RCC patients, respectively. Median BTD was between 20 to 30 mg for SGC and 40 mg for RCC patients. GM Cmin at BTD were comparable between the SGC and the RCC group, 694 μg/L (95% CI: 584‐824) vs 583 μg/L (95% CI: 496‐671) (P = .1). The observed cabozantinib exposure at BTD of approximately 600 μg/L is below the previously proposed target. Surprisingly, a comparable exposure at BTD was reached at different dosages of cabozantinib for SGC patients compared to RCC patients Further research is warranted to identify the optimal exposure and starting dose to balance efficacy and toxicity.
Chiroptical Properties of Mechanically Interlocked Molecules
Authors: David Arthur H. G. , Stoddart J. Fraser
Published: September 2021

Mechanically Interlocked Molecules (MIMs), such as catenanes, knots, and rotaxanes, are a class of molecules that possess mechanical bonds. These bonds constitute an entanglement in space between components of the MIMs that cannot be separated without breaking a participating covalent bond. Although it is possible to synthesize chiral MIMs with covalent stereogenic centers, this new bond opens up the possibilities of axial, planar and helical chirality, as well as topologically chiral compounds. A growing number of chiral MIMs have been investigated and employed in numerous applications, ranging from sensing to catalysis. While the investigation of the properties of MIMs is highly developed, it is also essential to study their chiroptical properties. In this review, we focus on the chiroptical properties of chiral MIMs. We discuss their electronic circular dichroism (ECD) since these properties have been analyzed in some detail in relation to their structures and stereochemistry. Although only a few examples have been described to date, we discuss the encouraging circularly polarized luminescence (CPL) properties of MIMs. The review also includes a recent study of vibrational circular dichroism (VCD) in mechanically planar chiral rotaxanes suggesting that this technique is a promising tool for analyzing the structures of MIMs. The study of the chiroptical properties of MIMs can have a large impact on their use in materials science or as catalysts. One of the key advantage of chiral MIMs is that they provide a means of generating efficient chiroptical switches that have a bright future in the context of multiple applications.
Edge computing and 5G based low‐delay business English translation framework
Authors: Hu Rongyan , Wu Kejia
Published: September 2021

With the acceleration of internationalization, English has become the most mainstream international language in the world. A variety of emerging technologies, such as artificial intelligence and the Internet, make English‐based communication possible to cross national boundaries. However, the quality of transnational business English is often affected by the timeliness of communication. Therefore, this paper mainly studies the low‐delay business English translation based on edge computing and 5G. On the one hand, based on mobile edge computing, the translation ability is sunk from the cloud to the edge to improve the corresponding speed of translation. On the other hand, the edge state is monitored in real time by 5G technology, and the user experience is taken as an index to provide a decision‐making basis for the calculation of business English translation diversion. By selectively sinking part of the translation work from the cloud to the edge, it not only improves the response speed, but also ensures the quality of user experience.
Mixed‐solvent molecular dynamics simulation‐based discovery of a putative allosteric site on regulator of G protein signaling 4
Authors: Chan Wallace K. B. , DasGupta Debarati , Carlson Heather A. , Traynor John R.
Published: September 2021

Regulator of G protein signaling 4 (RGS4) is an intracellular protein that binds to the Gα subunit ofheterotrimeric G proteins and aids in terminating G protein coupled receptor signaling. RGS4 has been implicated in pain, schizophrenia, and the control of cardiac contractility. Inhibitors of RGS4 have been developed but bind covalently to cysteine residues on the protein. Therefore, we sought to identify alternative druggable sites on RGS4 using mixed‐solvent molecular dynamics simulations, which employ low concentrations of organic probes to identify druggable hotspots on the protein. Pseudo‐ligands were placed in consensus hotspots, and perturbation with normal mode analysis led to the identification and characterization of a putative allosteric site, which would be invaluable for structure‐based drug design of non‐covalent, small molecule inhibitors. Future studies on the mechanism of this allostery will aid in the development of novel therapeutics targeting RGS4.
Ultrafast excited‐state dynamics of gas‐phase 5‐methylcytosine tautomers
Authors: Ho Jr‐Wei , Cheng Po‐Yuan
Published: September 2021

In this study, we investigated the gas‐phase ultrafast excited‐state deactivation dynamics of 5‐methylcytosine (5mCy) tautomers excited between 257 and 300 nm in a free jet with femtosecond pump‐probe photoionization spectroscopy. The results show that excited‐state lifetimes of 5mCy amino‐keto tautomer excited at 290–300 nm are ~3 ps, whereas those of 5mCy amino‐enol tautomer excited at 257–290 nm range from 6 to 220 ps. These results indicate that, upon photoexcitation to the first 1ππ* state, 5mCy exhibits markedly slower deactivation dynamics than nonmethylated Cy, indicating that methylation at the C5 position increases the barrier to efficient excited‐state deactivation pathways. Our analyses also suggest a surprising conclusion that the two rotamers of the 5mCy amino‐enol tautomer exhibit markedly different 1ππ* state decay rates, implying that the N‐C‐O‐H dihedral angle can have a notable effect on the excited‐state deactivation dynamics.