bluuebunny/crossref_metadata_2025_split huggingface dataset:
Facing Seawater Splitting Challenges by Regeneration with Ni−Mo−Fe Bifunctional Electrocatalyst for Hydrogen and Oxygen Evolution
Authors: Ros Carles , Murcia‐López Sebastian , Garcia Xenia , Rosado Marcos , Arbiol Jordi , Llorca Jordi , Morante Joan R. 
Published: April 2021

AbstractHydrogen, produced by water splitting, has been proposed as one of the main green energy vectors of the future if produced from renewable energy sources. However, to substitute fossil fuels, large amounts of pure water are necessary, scarce in many world regions. In this work, we fabricate efficient and earth‐abundant electrodes, study the challenges of using real seawater, and propose an electrode regeneration method to face undesired salt deposition. Ni−Mo−Fe trimetallic electrocatalyst is deposited on non‐expensive graphitic carbon felts both for hydrogen (HER) and oxygen evolution reactions (OER) in seawater and alkaline seawater. Cl− pitting and the chlorine oxidation reaction are suppressed on these substrates and alkalinized electrolyte. Precipitations on the electrodes, mainly CaCO3, originating from seawater‐dissolved components have been studied, and a simple regeneration technique is proposed to rapidly dissolve undesired deposited CaCO3 in acidified seawater. Under alkaline conditions, Ni−Mo−Fe‐based catalyst is found to reconfigure, under cathodic bias, into Ni−Mo−Fe alloy with a cubic crystalline structure and Ni : Fe(OH)2 redeposits whereas, under anodic bias, it is transformed into a follicular Ni:FeOOH structure. High productivities over 300 mA cm−2 and voltages down to 1.59 V@10 mA cm−2 for the overall water splitting reaction have been shown, and electrodes are found stable for over 24 h without decay in alkaline seawater conditions and with energy efficiency higher than 61.5 % which makes seawater splitting promising and economically feasible.
Development of a cost‐effective circuit hardware architecture for brushless direct current motor driver
Authors: Mishra Pratikanta , Banerjee Atanu , Ghosh Mousam , Gogoi Sushanta , Dutta Rukmi 
Published: April 2021

SummaryA dual‐duty digital pulse‐width modulation (DDPWM) technique‐based cost‐effective control hardware architecture for brushless DC (BLDC) motor drive is reported in this paper. DDPWM control technique involves reduced computational complexity, which is beneficial in on‐chip area and power dissipation reduction. Simple Hall sensor‐based speed calculation and commutation circuits were also incorporated in the hardware to reduce the chip area further. The edge detection‐based speed calculation circuit was designed to be tolerant of any external noise or glitch in the Hall sensor signal. The proposed hardware architecture was implemented on the field‐programmable gate array (FPGA) and application‐specific integrated circuit (ASIC) platform using TSMC 180‐nm technology library. The ability of the integrated circuit (IC) for resource utilization reduction was validated by comparing the FPGA‐implemented architecture with the existing literature. The FPGA‐implemented architecture was also examined in real‐time using an experimental prototype BLDC motor setup. The drive response with dynamic load and speed variations, speed control precision, and glitch tolerant speed calculation is reported in the paper. The ASIC implementation demonstrates that the developed architecture sampled at 50 MHz is highly effective in the gate count and power dissipation reduction compared to the standard PI controller‐based width modulated pulse generation hardware architecture.
The costs and benefits of intensive day treatment programs and outpatient treatments for eating disorders: An idea worth researching
Authors: Ali Sarrah I. , Bodnar Emma , Gamberg Susan , Bartel Sara J. , Waller Glenn , Nunes Abraham , Dixon Laura , Keshen Aaron 
Published: April 2021

AbstractOutpatient care (e.g., individual, group, or self‐help therapies) and day treatment programs (DTPs) are common and effective treatments for adults with eating disorders. Compared to outpatient care, DTPs have additional expenses and could have unintended iatrogenic effects (e.g., may create an overly protective environment that undermines self‐efficacy). However, these potential downsides may be offset if DTPs are shown to have advantages over outpatient care. To explore this question, our team conducted a scoping review that aimed to synthesize the existing body of adult eating disorder literature (a) comparing outcomes for DTPs to outpatient care, and (b) examining the use of DTPs as a higher level of care in a stepped care model. Only four studies met the predefined search criteria. The limited results suggest that the treatments have similar effects and that outpatient care is more cost‐effective. Furthermore, no studies explored the use of DTPs as a higher level of care in a stepped care model (despite international guidelines recommending this approach). Given the clear dearth of literature on this clinically relevant topic, we have provided specific avenues for further research.
Diagnosis and treatment of cardiac amyloidosis. A position statement of the European Society of Cardiology Working Group on Myocardial and Pericardial Diseases
Authors: Garcia‐Pavia Pablo , Rapezzi Claudio , Adler Yehuda , Arad Michael , Basso Cristina , Brucato Antonio , Burazor Ivana , Caforio Alida L.P. , Damy Thibaud , Eriksson Urs , Fontana Marianna , Gillmore Julian D. , Gonzalez‐Lopez Esther , Grogan Martha , Heymans Stephane , Imazio Massimo , Kindermann Ingrid , Kristen Arnt V. , Maurer Mathew S. , Merlini Giampaolo , Pantazis Antonis , Pankuweit Sabine , Rigopoulos Angelos G. , Linhart Ales 
Published: April 2021

AbstractCardiac amyloidosis is a serious and progressive infiltrative disease that is caused by the deposition of amyloid fibrils at the cardiac level. It can be due to rare genetic variants in the hereditary forms or as a consequence of acquired conditions. Thanks to advances in imaging techniques and the possibility of achieving a non‐invasive diagnosis, we now know that cardiac amyloidosis is a more frequent disease than traditionally considered. In this position paper the Working Group on Myocardial and Pericardial Disease proposes an invasive and non‐invasive definition of cardiac amyloidosis, addresses clinical scenarios and situations to suspect the condition and proposes a diagnostic algorithm to aid diagnosis. Furthermore, we also review how to monitor and treat cardiac amyloidosis, in an attempt to bridge the gap between the latest advances in the field and clinical practice.
Structural Studies of Norditerpenoid Alkaloids: Conformation Analysis in Crystal and in Solution States
Authors: Zeng Ziyu , Kociok‐Köhn Gabriele , Woodman Timothy J. , Rowan Michael G. , Blagbrough Ian S. 
Published: April 2021

AbstractConformational analyses are presented of several pharmacologically important norditerpenoid alkaloids (NDAs), in crystal and in solution states. Crystal data of 8 NDAs (4 free bases and 4 salts) were obtained, in which crassicauline A, aconitine HCl, and methyllycaconitine HClO4 are reported for the first time. 1D/2D NMR spectroscopies of 7 NDAs (5 free bases and 2 salts) were recorded comprehensively. Crystal conformations of NDAs are described with a revised cyclohexane ring nomenclature. The A/E‐rings of NDA‐free bases exist in twisted‐chair/twisted‐chair conformations, leading to examples of the 1H NMR effect of steric compression shown in the A‐ring. The A/E‐rings of NDA salts adopt boat/chair crystal conformations, as does the protonated synthetic [3.3.1]azabicycle in its crystal lattice. However, in aqueous solutions at physiological pH, this protonated analogue adopts a true chair/true chair conformation where the NDA salts retain their twisted boat/twisted chair conformations.
Recent Advances in Organic Synthesis Using Light‐Mediated N‐Heterocyclic Carbene Catalysis
Authors: Marzo Leyre 
Published: April 2021

AbstractThe combination of photocatalysis with other ground state catalytic systems have attracted much attention recently due to the enormous synthetic potential offered by a dual activation mode. The use of N‐heterocyclic carbene (NHC) as organocatalysts emerged as an important synthetic tool. Its ability to harness umpolung reactivity by the formation of the Breslow intermediate has been employed in the synthesis of thousands of biologically important compounds. However, the available coupling partners are relatively restricted, and its combination with other catalytic systems might improve its synthetic versatility. Thus, merging photoredox and N‐heterocyclic carbene (NHC) catalysis has emerged recently as a powerful strategy to develop new transformations and give access to a whole new branch of synthetic possibilities. This review compiles the NHC catalyzed methods mediated by light, either in the presence or absence of an external photocatalyst, that have been described so far, and aims to give an accurate overview of the potential of this activation mode.
Synthesis and Spectrophotometric Studies of 9‐Substituted‐4,5‐dimethoxyacridine Multifunctionalizable Fluorescent Dyes and Their Macrocyclic Derivatives
Authors: Golcs Ádám , Ádám Bálint Árpád , Vezse Panna , Huszthy Péter , Tóth Tünde 
Published: April 2021

AbstractAcridine derivatives are widely used as antiseptics, disinfectants, antibiotics, and fluorescent dyes as well as a subunit of optical sensor molecules of various analytical applications. We reported here the synthesis of several new 9‐substituted‐4,5‐dimethoxyacridine derivatives (9‐bromo‐, 9‐(p‐methylphenyl)‐, 9‐(p‐benzyloxyphenyl)‐, 9‐azido‐, 9‐phenyltriazole‐, 9‐[(trimethylsilyl)ethynyl]‐, 9‐nitrile‐) as potential multifunctionalizable fluorescent precursors of sensor molecules, indicators or dyes including optimized procedures for preparation of 9‐haloacridines and their cross‐coupling reactions. Improved stability of several new compounds could be achieved by the synthetic modification at position 9 of the acridine unit compared to their unsubstituted acridine analogs. The basic spectroscopic characteristics of these useful intermediates were also determined. The new fluorescent compounds showed promising photochemical properties for optochemical‐based applications in the future. The extremely large Stokes‐shifts (above 15500 cm−1) should especially be emphasized. Moreover, the effects of the substituents at position 9 of the acridine unit on fluorescence signaling were studied by the examples of new precursors and their macrocyclic derivatives as known optical sensor molecules. Some interesting relationships between quantum yield and structural features were reported.
Electrosynthesis of Stable Betulin‐Derived Nitrile Oxides and their Application in Synthesis of Cytostatic Lupane‐Type Triterpenoid‐Isoxazole Conjugates
Authors: Lugiņina Jevgeņija , Linden Martin , Bazulis Māris , Kumpiņš Viktors , Mishnev Anatoly , Popov Sergey A. , Golubeva Tatiana S. , Waldvogel Siegfried R. , Shults Elvira E. , Turks Māris 
Published: April 2021

AbstractNovel lupane‐type triterpenoid‐isoxazole conjugates were designed by direct placing of isoxazole linker at C(17) of triterpenoid. The suggested synthetic sequence demonstrates successful combination of electro‐organic synthesis and conventional approaches. TEMPO‐mediated electrooxidation of betulin to betulinal was developed and optimized at boron‐doped diamond anodes with potassium acetate as inexpensive supporting electrolyte. Betulinal‐derived oxime was further selectively electro‐oxidized at a graphite anode to nitrile oxide, which proved to be stable and isolable species. The same reaction sequence was performed with 3β‐lupane‐3,28‐diol. Nitrile oxides were characterized by 15N NMR and X‐ray crystallography. The isolable nitrile oxides allowed creation of isoxazole library by 1,3‐dipolar cycloaddition reactions with various alkynes. Some of the title conjugates exhibit cytostatic properties against breast cancer cell line MCF7, glioblastoma multiform cell line U‐87 MG and lung carcinoma cell line A549 with growth inhibition (GI50) concentrations up to 11 μm, while being harmless to immortalized human fibroblasts hTERT (GI50 >100 μm).
Sequential Formal [4+1]‐Cycloaddition, C−H Functionalization and Suzuki–Miyaura Cross‐Coupling for the Synthesis of Trisubstituted Isoxazolines
Authors: Ushakov Pavel Yu. , Sukhorukov Alexey Yu. , Ioffe Sema L. , Tabolin Andrey A. 
Published: April 2021

AbstractSuzuki–Miyaura cross‐coupling reaction of 3‐bromomethyl isoxazolines with arylboronic acids was suggested as final C−C bond forming step in convenient diastereoselective route to trisubstituted isoxazolines. The required bromides were readily available from nitroalkenes and sulfonium ylides through an efficient sequence of formal [4+1]‐cycloaddition and C−H functionalization of intermediate isoxazoline N‐oxides. The synthetic utility of the obtained isoxazolines was demonstrated by their conversion into valuable products such as hydroxy ketone, pyrrolidinone, etc.
Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity**
Authors: Plasser Felix , Glöcklhofer Florian 
Published: April 2021

AbstractAromaticity is a central concept in chemistry, pervading areas from biochemistry to materials science. Recently, chemists also started to exploit intricate phenomena such as the interplay of local and global (anti)aromaticity or aromaticity in non‐planar systems and three dimensions. These phenomena pose new challenges in terms of our fundamental understanding and the practical visualisation of aromaticity. To overcome these challenges, a method for the visualisation of chemical shielding tensors (VIST) is developed here that allows for a 3D visualisation with quantitative information about the local variations and anisotropy of the chemical shielding. After exemplifying the method in different planar hydrocarbons, we study two non‐planar macrocycles to show the unique benefits of the VIST method for molecules with competing π‐conjugated systems and conclude with a norcorrole dimer showing clear evidence of through‐space aromaticity. We believe that the VIST method will be a highly valuable addition to the computational toolbox.
Brazilian green propolis promotes TNFR2 expression on regulatory T cells
Authors: Mikami Norihisa , Tani Hiroko , Kawakami Ryoji , Sugimoto Atsushi , Sakaguchi Shimon , Ikuta Tomoki 
Published: April 2021

AbstractFoxP3+ regulatory T cells (Tregs) are needed to suppress inflammatory diseases and maintain immune homeostasis. The suppressive function of Tregs can be used to control autoimmune or inflammatory diseases; therefore, it is well studied how Tregs can be artificially up‐ or downregulated in vitro and in vivo, by using antibodies, chemical compounds, foods, and natural resources. Propolis is a famous functional food that has an anti‐inflammatory effect. However, the influences of propolis on Treg function have not been fully evaluated so far. Here, we demonstrated that Brazilian green propolis increases TNFR2 expression in Tregs via the IRF4/cMyc axis, and artepillin C was a major effective component of propolis on Tregs. These results indicate that propolis and artepillin C have the potential as Treg activators via TNFR2 expression and may be useful for the prevention and/or therapy of autoimmune or inflammatory diseases.
Delayed access to conscious processing in multiple sclerosis: Reduced cortical activation and impaired structural connectivity
Authors: Has Silemek Arzu C. , Ranjeva Jean‐Philippe , Audoin Bertrand , Heesen Christoph , Gold Stefan M. , Kühn Simone , Weygandt Martin , Stellmann Jan‐Patrick 
Published: April 2021

AbstractAlthough multiple sclerosis (MS) is frequently accompanied by visuo‐cognitive impairment, especially functional brain mechanisms underlying this impairment are still not well understood. Consequently, we used a functional MRI (fMRI) backward masking task to study visual information processing stratifying unconscious and conscious in MS. Specifically, 30 persons with MS (pwMS) and 34 healthy controls (HC) were shown target stimuli followed by a mask presented 8–150 ms later and had to compare the target to a reference stimulus. Retinal integrity (via optical coherence tomography), optic tract integrity (visual evoked potential; VEP) and whole brain structural connectivity (probabilistic tractography) were assessed as complementary structural brain integrity markers. On a psychophysical level, pwMS reached conscious access later than HC (50 vs. 16 ms, p < .001). The delay increased with disease duration (p < .001, β = .37) and disability (p < .001, β = .24), but did not correlate with conscious information processing speed (Symbol digit modality test, β = .07, p = .817). No association was found for VEP and retinal integrity markers. Moreover, pwMS were characterized by decreased brain activation during unconscious processing compared with HC. No group differences were found during conscious processing. Finally, a complementary structural brain integrity analysis showed that a reduced fractional anisotropy in corpus callosum and an impaired connection between right insula and primary visual areas was related to delayed conscious access in pwMS. Our study revealed slowed conscious access to visual stimulus material in MS and a complex pattern of functional and structural alterations coupled to unconscious processing of/delayed conscious access to visual stimulus material in MS.
HBV/Pregenomic RNA Increases the Stemness and Promotes the Development of HBV‐Related HCC Through Reciprocal Regulation With Insulin‐Like Growth Factor 2 mRNA‐Binding Protein 3
Authors: Ding Wen‐bin , Wang Meng‐chao , Yu Jian , Huang Gang , Sun Da‐peng , Liu Lei , Zhang Jia‐ning , Yang Yuan , Liu Hui , Zhou Wei‐ping , Yang Fu , Yuan Sheng‐xian 
Published: April 2021

Background and Aims
HBV‐pgRNA (pregenomic RNA) has been proposed for predicting the response of nucleos(t)ide analogue (NA) treatment, guiding discontinuation of NA therapy and monitoring the emergence of viral mutations. However, the contributions of HBV‐pgRNA to HCC remain open for study.

Approach and Results
Double‐center cohorts of serum samples with undetectable serum HBV‐DNA (below the lower limit of detection) were obtained from long‐term NA‐treated (≥48 weeks) HBV‐related HCC patients. The correlation between serum pgRNA concentration and the prognosis of HCC were analyzed. The role pgRNA played in HCC development was assessed both in vitro and in vivo. Our findings revealed that for patients who underwent long‐term NA therapy with undetectable serum HBV‐DNA, patients with high serum pgRNA expression had a poorer overall survival rate and higher cumulative recurrence rate after hepatectomy. Experiments demonstrated that pgRNA promotes proliferation, stemness, and tumorigenicity of HCC cells. Mechanistically, we found that pgRNA could up‐regulate the expression of insulin‐like growth factor 2 mRNA‐binding protein 3 (IGF2BP3), a well‐proven oncoprotein, at the posttranscriptional level. Furthermore, interferon (IFN)‐α‐2a could degrade the stability of pgRNA through increasing its N6‐methyladenosine (m6A) RNA modification. Collectively, our findings uncover that serum pgRNA could serve as a potential biomarker for predicting the prognosis and recurrence of HCC in patients who received long‐term NA therapy with undetectable serum HBV‐DNA; and the pgRNA‐IGF2BP3 axis plays an important role in the development of HBV‐related HCC. Moreover, IFN‐α‐2a could reduce the stability of pgRNA by increasing its m6A RNA modification level, thereby suppressing the development of HBV‐related HCC.

Conclusions
In conclusion, our studies reveal a significance and mechanism of HBV‐pgRNA in increasing stemness features and offer a potential prognostic marker and a therapeutic target for HBV‐related HCC.
The technology acceptance scale: Its Bayesian psychometrics assessed in a factor analysis via Markov chain Monte Carlo models
Authors: Schmid Daniela 
Published: April 2021

AbstractThe technology acceptance scale (TAS) by van der Laan, Heino, and De Waard (1997) measures the psychological construct of the same term as a sum of attitudes of an operator toward a specific complex sociotechnical system. The TAS has been claimed to comprise two subscales, usefulness and satisfaction. However, recent empirical work has found evidence for only one underlying factor. To provide further insight into the factor structure of the TAS, this study adopts a Bayesian exploratory factor analysis (BEFA) to analyse the data of a flight simulation study regarding single pilot operations. A series of Markov chain Monte Carlo (MCMC) models is used to assess the latent factor structure of the TAS for the two different crewing conditions and their corresponding workstation and cockpit setups of the copilot. A reliable step‐by‐step data analysis of the MCMC models provides evidence for a one‐factor solution of the scale. The divergence to the previous studies which claim two factors can be due to the different applications as well as due to different statistical paradigms and methodological issues in exploratory factor analysis.
Organic Spacers in 2D Perovskites: General Trends and Structure‐Property Relationships from Computational Studies
Authors: Jahanbakhshi Farzaneh , Mladenović Marko , Dankl Mathias , Boziki Ariadni , Ahlawat Paramvir , Rothlisberger Ursula 
Published: April 2021

AbstractAddition of large organic molecules to halide perovskites has been shown to provoke dimensionality reduction and formation of two‐dimensional phases that demonstrate improved long‐term stabilities. Optoelectronic properties of the resulting 2D layered perovskites are strongly influenced by the chemical nature of the additive molecules, which opens immense possibilities for preparation of materials with tailored properties. However, given the huge chemical space of possible organic spacers, a systematic and exhaustive search for optimal compounds is impossible and general structure–property relationships that could guide a rational design are still largely absent. Here, we provide an overview of a series of recent computational studies from our group on different types of spacers. We first develop a simplified universal monovalent cation model to map out approximate structural stability maps as a function of the van der Waals radius and the magnitude of dispersion interactions to monitor the possible emergence of 2D phases. We further provide structural and photophysical insights from classical and first‐principles molecular dynamics simulations and density functional theory calculations on 2D hybrid perovskites based on a wide range of spacers with different chemical nature and varying conformational properties. Our computational predictions are validated through comparison with powder diffraction, conductivity and optical measurements. Such comparative study allows for providing some general structure–property correlations, which can serve as design guidelines in the search for optimal 2D and mixed 2D/3D perovskite photovoltaic materials.