bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

Abstractortho‐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

AbstractIntroduction/PurposeTo evaluate the endometrial thickness (ET) as a predictor of endometrial abnormalities in postmenopausal women and whether consideration of baseline risk factors increases diagnostic accuracy.MethodsThis 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.ResultsAbnormal 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)).ConclusionET 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.
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

AbstractMetasurfaces 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

AbstractChallenges 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

AbstractImproving 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

AbstractIntumescent 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

AbstractAn 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

AbstractBio‐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

AbstractHydrazine 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

AbstractMore 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

AbstractLi–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

AbstractEmpathy 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

AbstractVirtual 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

AbstractWe 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

AbstractBackgroundIndividuals 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.ObjectiveTo examine the performance of the Brief Jail Mental Health Screen (BJMHS) for indicating secondary mental health need in ‘real world’ conditions.MethodsRetrospective 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.ResultsOverall, the positive predictive value of the BJMHS was 67.2%. It was significantly higher for men (69.5%) than women (60.1%).ConclusionsWhile 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

AbstractViral 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

AbstractEffective 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.