bluuebunny/crossref_metadata_2025 huggingface dataset:
Understanding the Photoelectrochemical Properties of Theoretically Predicted Water‐Splitting Catalysts for Effective Materials Discovery
Authors: Katzbaer Rowan R. , Theibault Monica J. , Kirchner‐Hall Nicole E. , Mao Zhiqiang , Dabo Ismaila , Abruña Héctor D. , Schaak Raymond E.
Published: August 2022

Data‐intensive discovery of water‐splitting catalysts can accelerate the development of sustainable energy technologies, such as the photocatalytic and/or electrocatalytic production of renewable hydrogen fuel. Through computational screening, 13 materials were recently predicted as potential water‐splitting photocatalysts: Cu3NbS4, CuYS2, SrCu2O2, CuGaO2, Na3BiO4, Sr2PbO4, LaCuOS, LaCuOSe, Na2TeO4, La4O4Se3, Cu2WS4, BaCu2O2, and CuAlO2. Herein, these materials are synthesized, their bandgaps and band alignments are experimentally determined, and their photoelectrocatalytic hydrogen evolution properties are assessed. Using cyclic voltammetry and chopped illumination experiments, 9 of the 13 materials are experimentally found to have bandgaps and band alignments that straddle the potentials required for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), as computationally predicted. During photocatalytic testing, 12 of the materials yield a measurable photocurrent. However, only three are found to be active for the HER, with Cu3NbS4, CuYS2, and Cu2WS4 producing H2 in amounts comparable to bare TiO2; a benchmark photocatalyst. This study provides experimental validation of computational bandgap and band alignment predictions while also successfully identifying active photocatalysts.
Insights into Heterogeneous Catalysts under Reaction Conditions by In Situ/Operando Electron Microscopy
Authors: Cheng Han‐Wen , Wang Shan , Chen Guanyu , Liu Zhengwang , Caracciolo Dominic , Madiou Merry , Shan Shiyao , Zhang Jincang , He Heyong , Che Renchao , Zhong Chuan‐Jian
Published: August 2022

The advancement of clean energy and environment depends strongly on the development of efficient catalysts in a wide range of heterogeneous catalytic reactions, which has benefited from transmission electron microscopic techniques in determining the atomic‐scale morphologies and structures. However, it is the morphology and structure under the catalytic reaction conditions that determine the performance of the catalyst, which has captured a surge of interest in developing and applying in situ/operando transmission electron microscopic techniques in heterogeneous catalysis. The major theme of this review is to highlight some of the most recent insights into heterogeneous catalysts under the relevant reaction conditions using in situ/operando transmission electron microscopic techniques. Rather than a comprehensive overview of the basic principles of in situ/operando techniques, this review focuses on the insights into the atomic‐scale/nanoscale details of various catalysts ranging from single‐component to multicomponent catalysts under heterogeneous catalytic, electrocatalytic, and photocatalytic reaction conditions involving both gas–solid and liquid–solid interfaces. This focus is coupled with discussions of the correlation of the atomic, molecular, and nanoscale morphology, composition, and structure with the catalytic properties under the reaction conditions, shining light on the challenges and opportunities in design of nanostructured catalysts for clean and sustainable energy applications.
In‐Liquid Plasma Modified Nickel Foam: NiOOH/NiFeOOH Active Site Multiplication for Electrocatalytic Alcohol, Aldehyde, and Water Oxidation
Authors: Hausmann Jan Niklas , Menezes Pramod V. , Vijaykumar Gonela , Laun Konstantin , Diemant Thomas , Zebger Ingo , Jacob Timo , Driess Matthias , Menezes Prashanth W.
Published: August 2022

The oxygen evolution reaction (OER) and the value‐added oxidation of renewable organic substrates are critical to supply electrons and protons for the synthesis of sustainable fuels. To meet industrial requirements, new methods for a simple, fast, environmental‐friendly and cheap synthesis of robust, self‐supported and high surface area electrodes are required. Herein, a novel in‐liquid plasma (plasma electrolysis) approach for the growth of hierarchical nanostructures on nickel foam is reported on. Under morphology retention, iron can be doped into this high surface area electrode. For the oxidation of 5‐(hydroxymethyl)furfural and benzyl alcohol, the iron‐free, plasma‐treated electrode is more suitable reaching current densities up to 800 mA cm−2 with Faradaic efficiencies above 95%. For the OER, the iron‐doped nickel foam electrode reaches the industrially relevant current density of 500 mA cm−2 at 1.473 ± 0.013 VRHE (60 °C) and shows no activity decrease over 140 h. The different effects of iron doping are rationalized using methanol probing and in situ Raman spectroscopy. Furthermore, the intrinsic activity is separated from the number of active sites, and, for the organic oxidation reactions, diffusion limitations are revealed. The authors anticipate that the plasma modified nickel foam will be suitable for various (electro)catalytic processes.
Efficient Ammonia Production Beginning from Enhanced Air Activation
Authors: Meng Zhe , Yao Jia‐Xin , Sun Chang‐Ning , Kang Xia , Gao Rui , Li Hong‐Rui , Bi Bo , Zhu Yong‐Fu , Yan Jun‐Min , Jiang Qing
Published: August 2022

Ammonia is considered to be a next‐generation clean energy carrier, and thus the green synthesis of NH3 is of great importance. In this work, non‐thermal plasma oxidation is combined with electroreduction to achieve an efficient two‐step NH3 synthesis. A Ti bubbler is introduced in the first step of plasma activation of air to effectively produce nitrate/nitrite (NOx−) in an absorption solution, and the production rate achieves the highest value of 55.29 mmol h−1; the obtained NOx− aqueous solution is directly employed as catholyte for the second step of electroreduction with oxygen vacancy‐rich Co3O4 nanoparticles as the catalyst. Density functional theory calculations reveal that the introduction of oxygen vacancies endows their adjacent Co atoms with improved activity, which promotes adsorption and hydrogenation of NOx−, meanwhile suppressing the hydrogen evolution reaction. Thus the oxygen vacancy‐rich Co3O4 NPs present a significant NH3 production rate of 39.60 mg h−1 cm−2, high Faradaic efficiency of 96.08% and a large current density (376.48 mA cm−2), outperforming the previously reported ones including N2 or NOx− electroreduction.
Competitive‐Reduction Chemistry on Ni‐Doped FeS2 Catalyst Reinforcing Acid‐Corrosion Resistance for Stable Hydrogen Evolution Reactions
Authors: Feng Yutong , Liu Guanglei , Li Lei , Ma Jie , Zhang Chi , Yang Jinhu
Published: August 2022

Transition‐metal chalcogenides are promising low‐cost hydrogen evolution reaction (HER) catalysts; however, they suffer from serious electrochemical corrosion in acidic environment. Herein, it is proposed that Ni‐doped FeS2 nanowire arrays (Ni‐FeS2 NWs) fabricated through a simple doping strategy show significantly enhanced antiacid stability during HER process relative to its FeS2 counterpart enabled by a S‐site competitive‐reduction chemistry. Transition‐state energy calculations indicate that Ni‐FeS2 and FeS2 show different HER catalytic active center at S and Fe sites, respectively. For Ni‐FeS2, this means more H+ preferentially adsorb on S sites for enhanced HER which simultaneously suppresses the competitive reduction of acid corrosion of FeS2 occurred at the same S sites. However, for FeS2 the corrosion reaction and HER occurred, respectively, at S and Fe sites are paralleled. Besides, density functional theory calculations also show that the Ni‐FeS2 exhibits the enhanced structural stability during the HER process after Ni2+ doping into FeS2.
Morphologically Adaptive Crash Landing on a Wall: Soft‐Bodied Models of Gliding Geckos with Varying Material Stiffnesses
Authors: Chellapurath Mrudul , Khandelwal Pranav , Rottier Tom , Schwab Fabian , Jusufi Ardian
Published: August 2022

Landing on vertical surfaces in challenging environments is a critical ability for multimodal robots—it allows the robot to hold position above the ground without expending energy to hover. Asian flat‐tailed geckos (Hemidactylus platyurus) are observed to glide and perch on vertical surfaces by relying on their tail and body morphology, potentially reducing the control effort to perch. This novel perching mechanism using a bioinspired physical model is discussed and its tail and body parameters to determine their influence on perching success and the kinematics of the gecko's dynamic landing maneuver are adjusted. Perching performance is evaluated by changing the model's torso and tail stiffness. Combining a compliant torso and stiff tail enables the model to passively perch on a vertical substrate with a success rate >90%, compared with ≈10% without a tail attached. A compliant torso is necessary to absorb the in‐flight kinetic energy and accommodate the uncertainties in approach conditions. Similar to the gecko's perching strategy, the stiff tail pushes against the substrate, preventing the model from falling backward head over heels. These findings highlight the critical role of tail and material stiffness for perching and provide a simplified mechanism to impart perching capabilities in robots.
Acid‐dependent Divergent Conversion of ortho‐Arylcyclopropanecarbonyl Carboxaldehydes for the Synthesis of Furanodibenzocycloheptenes and Dibenzocycloheptenes
Authors: Palavong Nitwaree , Jantrapirom Jantra , Tummatorn Jumreang , Thongsornkleeb Charnsak , Ruchirawat Somsak
Published: August 2022

ortho‐Arylcyclopropanecarbonyl carboxaldehydes were utilized common substrates for the synthesis of furanodibenzocycloheptenes and dibenzocycloheptenes. Excess amount of (+)‐camphorsulfonic acid ((+)‐CSA) could lead to acid‐promoted cyclopropane ring opening/cyclization reaction of the common substrates to give dibenzocycloheptene products in up to 87% yield. Alternatively, when the common precursors were treated with catalytic amount of super acid (NHTf2) resulting in the formation of furanodibenzocycloheptenes as a mixture of two regioisomeric products.
Evaluation of endometrial thickness by transvaginal ultrasound and baseline risk factors as a predictor for endometrial abnormalities in postmenopausal women
Authors: Yerrisani Jyothirmayi , Kothari Anoushka , Collins Kelly , Ballard Emma , Kothari Alka
Published: August 2022

Introduction/Purpose

To evaluate the endometrial thickness (ET) as a predictor of endometrial abnormalities in postmenopausal women and whether consideration of baseline risk factors increases diagnostic accuracy.

Methods

This is a retrospective observational study of postmenopausal women presenting with bleeding or thickened endometrium (≥4 mm) on ultrasound, between 2003 and 2012. Risk factors for endometrial abnormality were analysed using logistic regression. Of 301 women, 220 were symptomatic and 81 were asymptomatic. The median ET was 6 mm (IQR 4–9) for symptomatic women and 9 mm (IQR 6–12) for asymptomatic women.

Results

Abnormal pathology was found in 35 symptomatic (15.9%) and 6 asymptomatic women (7.4%). For each 1 mm increase in ET, the odds of an abnormal diagnosis increased by 16.3% (95% CI 9.6–23.5) for symptomatic and 19.9% (95% CI 3.1–39.3) for asymptomatic women. The Youden's index method identified an ET threshold of ≥7.1mm for symptomatic and ≥14.5mm for asymptomatic women. In symptomatic women the sensitivity was 88.6% (95% CI 72.3–96.3) and specificity 69.2% (95% CI 61.9–75.6), while in asymptomatic women the sensitivity was 50.0% (95% CI 13.9–86.1) and specificity was 89.3% (95% CI 79.5–95.0). The addition of age in the symptomatic women model reduced the sensitivity (82.9% (95% CI 65.7–92.8)) but increased the specificity (72.4% (95% CI 65.3–78.6)).

Conclusion

ET is a significant predictor of abnormality. In the absence of risk factors, our study suggests that invasive procedures may be withheld until the ET is ≥7.1 mm with bleeding and ≥14.5 mm in asymptomatic women with no bleeding.
Endovascular Device for Endothelial Cell Sampling
Authors: Sandell Mikael , Chireh Arvin , Spyrou Argyris , Grankvist Rikard , Al-Saadi Jonathan , Jonsson Stefan , van der Wijngaart Wouter , Stemme Göran , Holmin Staffan , Roxhed Niclas
Published: August 2022

Endothelial cells play an important role in several vascular diseases, and molecular analysis of these cells could provide valuable information on underlying tissue status. However, no clinically established procedure for harvesting endothelial cells exists. A micro‐3D‐printed device adapted for endovascular techniques to harvest endothelial cells for transcriptomic analysis is presented. In vivo evaluation in swine (n = 6) yielded tissue samples in 60 out of 65 cases, of which 80% show a substantial amount of tissue. The cytological evaluation indicates high selectivity towards endothelial cells, and RNA‐sequencing shows gene expression signatures consistent with vascular tissue. It is found that there are no short‐term safety risks compared to operation with a control wire of equal dimensions and acute complications are not detected. If translated to clinical use, the device could enable increased understanding of early‐stage endothelial cell‐mediated disease progression and earlier diagnosis of diseases such as atherosclerosis.
Injectable Microporous Annealed Particle Hydrogel Based on Guest–Host‐Interlinked Polyethylene Glycol Maleimide Microgels
Authors: Widener Adrienne E. , Duraivel Senthilkumar , Angelini Thomas E. , Phelps Edward A.
Published: August 2022

Microporous annealed particle (MAP) hydrogels have emerged as a versatile biomaterial platform for regenerative medicine. MAP hydrogels have been used for the delivery of cells and organoids but often require annealing post‐injection by an external source. An injectable, self‐annealing MAP hydrogel with reversible interparticle linkages based on guest–host functionalized polyethylene glycol‐maleimide (PEG‐MAL) microgels is engineered. The effect of guest–host linkages is evaluated on different types of microgels fabricated by either batch emulsion or mechanical fragmentation methods. Batch emulsion generates small spherical microgels with controllable (10–100 μm) diameters and mechanical fragmentation generates irregular microgels with larger diameters (100–200 μm). Spherical microgels (15 μm) show self‐healing behavior and have completely recovered from high strain while fragmented microgels (133 μm) do not recover. Guest–host interactions significantly contribute to the mechanical properties of spherical microgels but have no effect on fragmented microgels. Spherical microgels are superior to the fragmented microgels for co‐injection of immune cells and pancreatic islets due to their lower force of injection, demonstrating more homogeneously distributed cells and greater cell viability after injection. Based on these studies, the spherical guest–host MAP hydrogels provide a controllable, injectable scaffold for engineered microenvironments and cell delivery applications.
Full‐Space Double‐Layer Patterned 2‐Bit Coding Metasurface Hologram
Authors: Dong Liang , Li Xu Sheng , Zhu Lei , Burokur Shah Nawaz , Wu Qun , Ding Xu Min
Published: August 2022

Metasurfaces play an important role in holographic imaging to flexibly manipulate and control electromagnetic wave fronts. However, metasurface‐based holograms present weaknesses in space utilization and efficiency. In this work, a 2‐bit coding metasurface based on double‐face copper‐cladded patterns on a single‐layer substrate is proposed, where the electromagnetic waves can be independently manipulated in full space. When illuminated by an x‐polarized wave, the co‐polarized reflection and cross‐polarized transmission components of the coding metasurface can be simultaneously manipulated at two distinct frequencies. The co‐polarized reflection efficiency is greater than 0.7 at 15 GHz, and the cross‐polarized transmission efficiency attains to 0.4 at 14 GHz. The proposed coding metasurface hologram can simultaneously reconstruct two different holographic images without changing the polarization state of the incident wave, while avoiding crosstalk between different channels. A coding metasurface sample is fabricated and measured, and the experimental results agree well with the numerically simulated ones. The proposed hologram imaging concept highlights great potential applications in the fields of holographic display and information encryption.
Synergistic Charge Percolation in Conducting Polymers Enables High‐Performance In Vivo Sensing of Neurochemical and Neuroelectrical Signals
Authors: Xu Tianci , Ji Wenliang , Zhang Yue , Wang Xiaofang , Gao Nan , Mao Lanqun , Zhang Meining
Published: August 2022

Challenges remain in establishing a universal method to precisely tune electrochemical properties of conducting polymers for multifunctional neurosensing with high selectivity and sensitivity. Here, we demonstrate a facile and general approach to achieving synergistic charge percolation in conducting polymers (i.e., poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate), PEDOT:PSS) by incorporating conductive catalysts (i.e., carbon nanotubes, CNTs) and post‐processing. The approach shows synergistic effects: (i) CNTs and post‐processing together promote PEDOT ordered interconnection for highly efficient charge percolation that accelerates electrochemical kinetics; (ii) CNTs catalyze the electrooxidation of vitamin C for selective electrochemical sensing; (iii) CNTs enhance the charge storage/injection capacity of PEDOT:PSS. The prepared CNT‐PEDOT:PSS fiber mechanically matches with neural tissues and is proved to be a biocompatible versatile microsensor capable of high‐performance neurosensing in vivo.
A Single‐Atom Cobalt Catalyst for the Fluorination of Acyl Chlorides at Parts‐per‐Million Catalyst Loading
Authors: Li Wen‐Hao , Ye Bo‐Chao , Yang Jiarui , Wang Ye , Yang Chang‐Jie , Pan Ying‐Ming , Tang Hai‐Tao , Wang Dingsheng , Li Yadong
Published: August 2022

Improving the stability of sensitive catalytic systems is an emerging research topic in the catalysis field. However, the current design of heterogeneous catalysts mainly improves their catalytic performance. This paper presents a single‐atom catalyst (SAC) strategy to improve the cobalt‐catalysed fluorination of acyl chlorides. A stable Co−F intermediate can be formed through the oxidative fluorination of Co1−N4@NC SAC, which can replace the unstable high‐valent cobalt catalytic system and avoid the use of phosphine ligands. In the SAC system, KF can be employed as a fluorinating reagent to replace the AgF, which can be applied to various substrates and scale‐up conversion with high turnover numbers (TON=1.58×106). This work also shows that inorganic SACs have tremendous potential for organofluorine chemistry, and it provides a good reference for follow‐up studies on the structure‐activity relationship between catalyst design and chemical reaction mechanisms.
Durable flame‐retardant cotton fabric modified by water‐soluble C–N–P intumescent flame retardant
Authors: Ge Yuanyu , Qi Zhenming , Sha Desheng , Hu Xiaosai , Liu Shiwen
Published: August 2022

Intumescent flame retardant (IFR) is the new generation of environmentally friendly flame retardant. The improved water solubility of IFR enhances its application in cellulose‐based textiles. A water‐soluble carbon–nitrogen–phosphorus (C–N–P) ternary IFR (PTETP) was synthesized using cyanuric chloride (TCT), ethylene glycol (EG), and O‐phosphoethanolamine (O‐PEA) as starting materials. The burning performance of untreated and PTETP treated cotton fabrics was evaluated using vertical flammability test (VFT), limiting oxygen index (LOI), and cone calorimetry. The results indicate that with the increase of PTETP content, the flame retardant performance of cotton fabrics is gradually enhanced. The cotton fabric treated with 10 wt% PTETP shows no afterflame combustion, has a char length of 98 mm, and a LOI of 30.8%. Compared with pristine cotton fabric, the peak heat release rate (PHRR) and total heat release (THR) of the treated cotton fabric were reduced by 52.6% and 28.2%, respectively. Thermogravimetric (TG) shows that PTETP effectively improves the thermal stability and reduces the thermal decomposition temperature of cotton fabric, and even can increases the residual carbon rate by 20%. In addition, the employment of PTETP shows no harm on the tensile strength of cotton fabrics. After washing 20 times, LOI of flame‐retardant cotton fabric still remained almost 26%.
Polyethylene furanoate: technoeconomic analysis of biobased production
Authors: Louw Janus , Farzad Somayeh , Görgens Johann F.
Published: August 2022

An economically viable scenario for production of polyethylene furanoate (PEF) is key to unlocking the potential for the replacement of the oil derivative polyethylene terephthalate (PET) by PEF. This work aims to provide a baseline for, and deeper insights into, the mass, energy, and economic performance of PEF production in integrated bioenergy self‐sufficient biorefineries. Alternative configurations for the production of PEF from A‐molasses (1G), sugarcane bagasse and trash (2G), or combinations of them (1G2G) were simulated as integrated sugarcane biorefineries – designed to be bio‐energy self‐sufficient – in Aspen Plus. Utilization of the existing boiler of the sugar mill accompanied by a small medium pressure boiler was sufficient to meet the energy demands of the combined sugar mill and biorefinery for the 1G scenario. Conversely, the increased energy demand of the 2G and 1G2G scenarios required replacement of the existing sugar mill boiler with a new combined heat and power plant. The profitability of each scenario was assessed in terms of the required minimum selling price (MSP) for an acceptable return on investment. The 2G PEF scenario was the least profitable with a MSP of 4.26 USD kg−1, whereas the 1G2G scenario (MSP of 2.39 USD kg−1) was more profitable due to economies of scale and other synergistic benefits of feedstock co‐processing, such as increased sugar concentration, which reduced the energy demands and the cost of downstream recovery. The 1G PEF scenario was the most profitable due to low capital cost and energy requirements associated with 1G conversion, with an MSP of 1.82 USD kg−1, approximately 77% higher than the market price of fossil‐based PET in 2019 (1.03 USD kg−1) to which PEF is functionally equivalent. The MSPs of PEF determined in this work is competitive with Avantium's forecast PEF market prices for mainstream and high value applications and the insights provided could encourage further development of sustainable PEF biorefineries. © 2022 The Authors. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.
Estimating a target price to regenerate bio‐oils post hydrogen sulfide removal
Authors: Brace Emma C. , Engelberth Abigail S.
Published: August 2022

Bio‐oils such as conventional soybean, high‐oleic soybean, canola, and sunflower are valuable as bio‐solvents for removing hydrogen sulfide (H2S) from natural gas. Preceding bench‐scale studies indicate that more than 90% of H2S can be removed from a gas stream; economic analysis of such a process is necessary to determine the solvent regenerative power required and cost constraints on a to‐be‐determined solvent regeneration scheme. With the goal of processing 1000 kmol·h–1 of sour gas and removing 99.9% of H2S from gas streams with various feed concentrations, the design of an absorption unit to process natural gas using bio‐oils as the absorbing solvent was carried out through equilibrium stage analysis. A graphical method combined with the Kremser method found that a trayed tower with 14 stages, a 2 m diameter, and 8.5 m height could meet these goals successfully with a bio‐solvent flow rate of 120 kmol·h–1. Capital costs were centered on the price of an extraction column designed to meet the desired throughput. Comparison with conventional amine gas treatment was used to set a limit for the cost of treating a unit of gas, and sensitivity analysis explored the relationship between solvent recycle and cost of treating the gas. This study found that the economic viability of using bio‐oils as gas‐sweetening agents depended on developing a solvent regeneration scheme capable of recycling more than 98% of the bio‐oil bio‐solvent. The development of such a scheme is unlikely, and the overall process of using bio‐oils to sweeten sour gas is likely not economically viable. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
Aldehyde spiropyran fluorescent probe for rapid determination of hydrazine in environmental water
Authors: Huang Xianzhi , Zhou Ziqiang , Xiao Xiaohua , Xia Ling , Li Gongke
Published: August 2022

Hydrazine often receives publicity because it has a wide range of applications but high toxicity at the same time. Here, we invented a novel aldehyde spiropyran fluorescent probe (SP‐CHO) for fluorescence determination of hydrazine. The probe was synthesized through a hydrolysis reaction and a condensation reaction. It exhibits a specific response to hydrazine. The influence factors and anti‐interference ability of SP‐CHO identifying hydrazine were studied. HRMS, 1H NMR, and density functional theory (DFT) calculations were used to reveal the recognition mechanism. Results showed that SP‐CHO can be used for fluorescence determination of hydrazine with high selectivity and sensitivity. An SP‐CHO‐based fluorescence method was established for quantitation of hydrazine. The detection limit was 1.26 μmol/l, and the linear range was 5–100 μmol/l. The determination of hydrazine in water samples can be completed within 10 min, which shows good application prospects in real‐time detection and process monitoring.
The effect of chief sustainability officers on sustainability reporting—A management perspective
Authors: Thun Toni W. , Zülch Henning
Published: August 2022

More and more companies worldwide are appointing a chief sustainability officer (CSO) to anchor the topic of sustainability at the top management level. This study examines how a CSO on the management board influences the quantity and quality of sustainability reports. While quantity is measured by the amount of information disclosed (sustainability disclosure), quality is measured as the decision for external assurance of the sustainability report, using the Global Reporting Initiative (GRI) guidelines as a reporting framework and publishing a combined report. Using a sample of German listed companies for the years 2017–2020, regression analysis is first conducted to analyse the impact of CSOs on sustainability reports. Second, the study shows how a chief executive officer (CEO) and a chief financial officer (CFO) impact sustainability reports when they also serve as CSOs. The results suggest that CSOs improve sustainability disclosure. In addition, a CSO positively impacts the decision for external assurance of the sustainability report but shows no impact on using the GRI guidelines and publishing a combined report. The results also show that a CFO positively influences sustainability disclosure, while a CEO does not. This study contributes to the growing literature on sustainable governance and how having a CSO on the management board impacts sustainability reporting. The study has numerous implications for regulators and practitioners. The most important insight is which management position should be responsible for sustainability to improve reporting and the limitations of that decision.
Tuning discrete growth of ultrathin nonstoichiometric Li2−xO2 discs to achieve high cycling performance Li–O2 battery
Authors: Bai Wen‐Long , Zhang Zhen , Wang Kai‐Xue , Chen Jie‐Sheng
Published: August 2022

Li–O2 batteries (LOBs) with high theoretical energy density are regarded as promising next‐generation energy storage devices. However, the electrochemical performance of LOBs is significantly impacted by the sluggish reaction kinetics of the insulative discharge product, Li2O2. It is envisaged that nonstoichiometric lithium peroxide (Li2−xO2) with an increased charge transfer rate would address this issue. Herein, Ketjen black modified by highly stable polyarylimide was employed as the cathode material for LOBs. As revealed by time‐of‐flight secondary ion mass spectrometry and O K‐edge X‐ray absorption near‐edge structure analyses, nonstoichiometric Li2−xO2, primarily composed of LiO2 and Li2O3, is distributed homogeneously within the discharge products. The formation of nonstoichiometric Li2−xO2 is attributed to the strong interaction of the functional group C═O toward Li ions. In addition, the thickness of the discharge product is well controlled to less than 10 nm, providing a shortened charge transport path and increasing the decomposition kinetics. Consequently, ultrahigh cycle stability (>130 cycles) is achieved with a cutoff capacity of 1000 mAh g−1 at a current density of 400 mA g−1. This study provides a novel strategy for the development of sustainable and durable rechargeable LOBs.
Counsellors' lived experiences of empathy & compassion: An interpretive phenomenological inquiry
Authors: Maurya Rakesh Kumar , DeDiego Amanda C. , Morgan Michael M.
Published: August 2022

Empathy and compassion are critical elements in counselling presence and practice. The present interpretive phenomenological study explored counsellor lived experiences of empathy and compassion. Through interpretative phenomenological analysis, findings highlighted how counsellors experience compassion and empathy, how boundaries shape wellness and practice with clients, and the impact of empathy and compassion over a career. The findings suggest that self‐other differentiation is key while using empathy to develop a strong therapeutic alliance and counsellor self‐care. Implications inform how counsellors can maintain wellness and learn to foster empathy and compassion in practice.
A context‐aware mobile augmented reality pet interaction model to enhance user experience
Authors: Luo Yan , Liu Fang , She Yingying , Yang Baorong
Published: August 2022

Virtual pet applications have been widely developed and applied in various fields. Mobile augmented reality (MAR) provides a new medium for virtual pets, allowing users to have a more immersive interactive experience through MAR pets. However, the issue of the user experience in MAR pets remains uninvestigated and relatively unexploited. Therefore, this article proposes a context‐aware MAR pet interaction model (CAPet model) to enhance the user experience in MAR pet systems, which allows the MAR pet makes feedback adaptively corresponding to the dynamic context. In addition, this article presents a user experience pyramid to measure the user experience for MAR pet. According to the proposed CAPet model, a MAR pet‐dog application is designed and implemented, based on which user test are conducted. The results of user test indicate the effectiveness of the proposed method on enhancing user experience, which provides a basis for the design of MAR pet applications in the future.
Synthesis, Derivatization and Photochemical Control of an ortho‐Functionalized Tetrafluorinated Azobenzene‐Modified siRNA
Authors: Hammill Matthew L. , Tsubaki Kouta , Wang Yuwei , Islam Golam , Kitamura Mitsuru , Okauchi Tatsuo , Desaulniers Jean‐Paul
Published: August 2022

We report the synthesis of an ortho‐functionalized tetrafluorinated azobenzene phosphoramidite for its site‐specific incorporation into RNA. The tetrafluorinated azobenzene is embedded within the antisense strand of an siRNA duplex to form an ortho‐functionalized tetrafluorinated azobenzene‐containing siRNA (F‐siRNAzo). The F‐siRNAzo is inactivated via trans to cis conversion with green light (530 nm), and reactivated with blue light (470 nm) via cis to trans conversion in cell culture. The long half‐life and stability of the tetrafluorinated azobenzene unit allows for reversible control of the F‐siRNAzo in cell culture for up 72 hours.
Evidence for the ecological validity of the Brief Jail Mental Health Screen: Positive predictive value among remanded men and women
Authors: Gerritsen Cory , Adamo Vito , Fulham Lindsay , Jones Roland , Penney Stephanie , Tagore Abanti , Simpson Alexander
Published: August 2022

Background

Individuals with severe mental illness are over‐represented in correctional institutions. The scarcity of mental health services in prison settings has increased the demand for tools to screen effectively for mental health need. While the need for sensitivity is widely recognised, there has been less attention to specificity of screening tools. In addition, prior studies have focussed on research‐informed diagnostic performance rather than real‐world service provision.

Objective

To examine the performance of the Brief Jail Mental Health Screen (BJMHS) for indicating secondary mental health need in ‘real world’ conditions.

Methods

Retrospective data were collected from 2977 individuals (2256 male) remanded in either of two correctional facilities in Ontario, Canada, who had been screened on reception as having clinically significant mental health needs by correctional health staff using the BJMHS and examined by specialist mental health staff at triage. The positive predictive value (PPV) of the BJMHS was calculated, using actual secondary mental health service referral as the performance criterion.

Results

Overall, the positive predictive value of the BJMHS was 67.2%. It was significantly higher for men (69.5%) than women (60.1%).

Conclusions

While these findings add support to the use of the BJMHS in screening mental health need among people under custodial remand, its false positive rate, particularly among women suggests a need to improve its performance. One potentially important avenue for future research would be whether repeating the screen after an interval prior to specialist referral would improve efficiency.
Sonographic findings of acute hepatitis in the emergency department
Authors: Koehler Jessica , Stolz Lori , Minges Patrick
Published: August 2022

Viral hepatitis is a common cause of upper abdominal pain, vomiting, and abnormal liver function tests. In 2018, there was an outbreak of hepatitis A cases in southwestern Ohio, one of many across the United States in recent years. Viral hepatitis can demonstrate impressive gallbladder wall edema and thickening on ultrasound imaging. We describe a case series where marked gallbladder wall thickening was noted on point‐of‐care ultrasound and either led to the correct diagnosis or prompted some diagnostic uncertainty. In an undifferentiated patient, this may confuse the clinical picture because most emergency physicians may not be aware of this finding.
Nickel Nanoparticles for Liquid Phase Toluene Oxidation – Phenomenon, Opportunities and Challenges
Authors: Ádám Adél Anna , Ziegenheim Szilveszter , Papp Ádám , Szabados Márton , Kónya Zoltán , Kukovecz Ákos , Varga Gábor
Published: August 2022

Effective oxidative transformation of toluene into valuable products was achieved under solvent‐free reaction conditions with as‐prepared nickel nanoparticles as heterogeneous catalysts in liquid phase. The crystalline structure and size of the as‐prepared nanoparticles were confirmed by X‐ray diffractometry (XRD) and dynamic light scattering (DLS). The catalytic implications of the different crystalline forms (face‐centred cubic: fcc; hexagonal close‐packed: hcp) of these nanocatalysts were investigated. The product selectivity of toluene oxidation was found to vary depending on the crystalline forms of the catalyst. Fcc nanocatalysts showed remarkable chemoselectivity (83 mol %) for the product benzyl alcohol and were readily reusable. In contrast, the hcp Ni phase showed reasonable reusability but lower chemoselectivity (29 mol %) compared to its fcc counterpart. Moreover, the simple organic solvents used had a remarkable effect on the crystal structure and phase purity of the Ni nanocrystals, which also affected the catalytic process.
Brookhart's Acid‐Catalyzed Switchable RegioselectiveN‐Alkylation of Arylamines/Heterocyclic Amines with Cyclopropylcarbinols by Temperature Regulation
Authors: Yadav Naveen , Tyagi Aparna , Khan Jabir , Kumar Hazra Chinmoy
Published: August 2022

An unprecedented, Brookhart's acid‐catalyzed temperature‐switchable regioselective divergent approach forN‐alkylation of arylamines and heterocyclic amines by utilising cyclopropylcarbinols is presented herein. The reaction offersN‐alkylated cyclopropyl derivatives and homoallyl amines by employing 2.5 mol% catalyst loading at different temperatures in excellent regioselectivity and yields. This method has shown to be relevant with a wide range of cyclopropylcarbinols, including aliphatic ones. Several control experiments and spectroscopic studies have been performed to gain insight into the reaction mechanism. Further, the synthetic utility of the protocol has also been described.
Intracellular Assembly of Interacting Enzymes Yields Highly‐Active Nanoparticles for Flow Biocatalysis
Authors: Bitterwolf Patrick , Zoheir Ahmed E. , Hertel Julian , Kröll Sandra , Rabe Kersten S. , Niemeyer Christof M.
Published: August 2022

All‐enzyme hydrogel (AEH) particles with a hydrodynamic diameter of up to 120 nm were produced intracellularly with an Escherichia coli‐based in vivo system. The inCell‐AEH nanoparticles were generated from polycistronic vectors enabling simultaneous expression of two interacting enzymes, the Lactobacillus brevis alcohol dehydrogenase (ADH) and the Bacillus subtilis glucose‐1‐dehydrogenase (GDH), fused with a SpyCatcher or SpyTag, respectively. Formation of inCell‐AEH was analyzed by dynamic light scattering and atomic force microscopy. Using the stereoselective two‐step reduction of a prochiral diketone substrate, we show that the inCell‐AEH approach can be advantageously used in whole‐cell flow biocatalysis, by which flow reactors could be operated for >4 days under constant substrate perfusion. More importantly, the inCell‐AEH concept enables the recovery of efficient catalyst materials for stable flow bioreactors in a simple and economical one‐step procedure from crude bacterial lysates. We believe that our method will contribute to further optimization of sustainable biocatalytic processes.
Analysis of digitalized ECG signals based on artificial intelligence and spectral analysis methods specialized in ARVC
Authors: Papageorgiou Vasileios E. , Zegkos Thomas , Efthimiadis Georgios , Tsaklidis George
Published: August 2022

Arrhythmogenic right ventricular cardiomyopathy (ARVC) is an inherited heart muscle disease that appears between the second and forth decade of a patient's life, being responsible for 20% of sudden cardiac deaths before the age of 35. The effective and punctual diagnosis of this disease based on electrocardiograms (ECGs) could have a vital role in reducing premature cardiovascular mortality. In our analysis, we first outline the digitalization process of paper‐based ECG signals enhanced by a spatial filter aiming to eliminate dark regions in the dataset's images that do not correspond to ECG waveform, producing undesirable noise. Next, we propose the utilization of a low‐complexity convolutional neural network for the detection of an arrhythmogenic heart disease, that has not been studied through the usage of deep learning methodology to date, achieving high classification accuracy, namely 99.98% training and 98.6% testing accuracy, on a disease the major identification criterion of which are infinitesimal millivolt variations in the ECG's morphology, in contrast with other arrhythmogenic abnormalities. Finally, by performing spectral analysis we investigate significant differentiations in the field of frequencies between normal ECGs and ECGs corresponding to patients suffering from ARVC. In 16 out of the 18 frequencies where we encounter statistically significant differentiations, the normal ECGs are characterized by greater normalized amplitudes compared to the abnormal ones. The overall research carried out in this article highlights the importance of integrating mathematical methods into the examination and effective diagnosis of various diseases, aiming to a substantial contribution to their successful treatment.
An Open‐Label, Randomized Pharmacokinetic Study of 2 Formulations of Eldecalcitol Capsules Following Single Oral Administration in Healthy Chinese Volunteers Under Fasting and Fed Conditions
Authors: Wu Juan , Fan Yuru , Zheng Liang , Wang Zhiqiang , Liu Yueyue , Shen Chenlin , Hu Wei
Published: August 2022

Eldecalcitol is an active vitamin D3 derivative that is used for the prevention and treatment of osteoporosis. The objectives of this study were to evaluate the bioequivalence and safety of 2 formulations of eldecalcitol capsule (0.75 μg) in healthy Chinese male and female volunteers, as well as to investigate the food effect on the pharmacokinetics of this drug. An open label, randomized, 3‐period, 3‐sequence, reference replicated crossover clinical study was performed in 27 healthy Chinese volunteers under fasting conditions, while a 2‐way crossover study was carried out in 28 healthy Chinese volunteers under fed conditions. Volunteers were administered a single oral dose of 0.75 μg eldecalcitol after fasting overnight. Blood samples were collected at scheduled time points from 0 to 168 hours after administration of eldecalcitol. The 90%CIs of the test/reference geometric mean ratio (area under the plasma concentration–time curve and maximum plasma concentration) of eldecalcitol after a single‐dose administration were within the acceptance criteria based on the average bioequivalence method. The time to maximum concentration of the test and reference formulations were elevated by ≈2.3‐fold and 1.7‐fold, respectively, after a high‐fat meal. Only mild and transient adverse events were reported in this study, and no severe adverse events occurred. These results indicated that the 2 formulations of eldecalcitol were bioequivalent under both fasting and fed conditions. Food intake prolonged the oral absorption of eldecalcitol but did not significantly influence systemic exposure.
Phase 1 Study to Investigate the Safety, Tolerability, and Pharmacokinetics of EPI‐589 in Healthy Participants
Authors: Noda Naoto , Hamatani Tatsuto , Shibue Yuta , Takagaki Takeshi , Kitamura Atsushi , Haranaka Miwa , Ogama Yoichiro , Kakuyama Hiroyoshi
Published: August 2022

EPI‐589 attenuates oxidative stress due to the radical scavenging activity of the reduced form and affects mitochondrial energy metabolism as a substrate of quinone‐oxidoreductases. Given the effects of EPI‐589 on oxidative stress and mitochondrial dysfunction, EPI‐589 shows promise as a potential therapy for patients with amyotrophic lateral sclerosis. This phase 1 study evaluated the safety, tolerability, and pharmacokinetic profiles of EPI‐589. Sixty‐eight healthy participants were randomly assigned to EPI‐589 or placebo. All adverse events were mild or moderate in severity, and no severe adverse events were reported. After single‐dose administration under fasting conditions, time to maximum plasma concentration (tmax) occurred 0.25 to 1.00 hour after administration. Both peak plasma concentration (Cmax) and area under the plasma concentration–time curve (AUC) were approximately linear with increases in single doses over a dose range of 250–1000 mg. Under fed conditions, the Cmax decreased to 62.6% of the Cmax under fasting conditions, the AUC was slightly increased, and the tmax was delayed by 1 hour. When EPI‐589 was administered daily on days 1 and 7 with twice‐daily dosing on days 2 through 6, the plasma trough concentration appeared to reach steady state by day 3. At both doses studied (500 mg twice daily and 750 mg twice daily), Cmax, tmax, and AUC were generally comparable between day 1 and day 7 and between the Japanese and White participants. EPI‐589 was well tolerated as a single daily dose up to 1000 mg and as twice‐daily doses up to 750 mg, with a linear pharmacokinetic profile.
Photodetachment of Deprotonated R‐Mandelic Acid: The Role of Proton Delocalization on the Radical Stability
Authors: Molina Franco L. , Jara‐Toro Rafael A. , Noble Jennifer A. , Dedonder‐Lardeux Claude , Jouvet Christophe , Pino Gustavo A.
Published: August 2022

The photodetachment and stability of R‐Mandelate, the deprotonated form of the R‐Mandelic acid, was investigated by observing the neutral species issued from either simple photodetachment or dissociative photodetachment in a cold anions set‐up. R‐Mandalate has the possibility to form an intramolecular ionic hydrogen‐bond between adjacent hydroxyl and carboxylate groups. The potential energy surface along the proton transfer (PT) coordinate between both groups (O−…H+…−OCO) features a single local minima, with the proton localized on the O− group (OH…−OCO). However, the structure with the proton localized on the −OCO group (O−…HOCO) is also observed because it falls within the extremity of the vibrational wavefunction of the OH…−OCO isomer along the PT coordinate. The stability of the corresponding radicals, produced upon photodetachment, is strongly dependent on the position of the proton in the anion: the radicals produced from the OH…−OCO isomer decarboxylate without barrier, while the radicals produced from the O−…HOCO isomer are stable.
Promising use of immune cell‐derived exosomes in the treatment of SARS‐CoV‐2 infections
Authors: Alahdal Murad , Elkord Eyad
Published: August 2022

Severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) infection is persistently threatening the lives of thousands of individuals globally. It triggers pulmonary oedema, driving to dyspnoea and lung failure. Viral infectivity of coronavirus disease 2019 (COVID‐19) is a genuine challenge due to the mutagenic genome and mysterious immune‐pathophysiology. Early reports highlighted that extracellular vesicles (exosomes, Exos) work to enhance COVID‐19 progression by mediating viral transmission, replication and mutations. Furthermore, recent studies revealed that Exos derived from immune cells play an essential role in the promotion of immune cell exhaustion by transferring regulatory lncRNAs and miRNAs from exhausted cells to the active cells. Fortunately, there are great chances to modulate the immune functions of Exos towards a sustained repression of COVID‐19. Engineered Exos hold promising immunotherapeutic opportunities for remodelling cytotoxic T cells’ function. Immune cell‐derived Exos may trigger a stable epigenetic repression of viral infectivity, restore functional cytokine‐producing T cells and rebalance immune response in severe infections by inducing functional T regulatory cells (Tregs). This review introduces a view on the current outcomes of immunopathology, and immunotherapeutic applications of immune cell‐derived Exos in COVID‐19, besides new perspectives to develop novel patterns of engineered Exos triggering novel anti‐SARS‐CoV‐2 immune responses.