bluuebunny/crossref_metadata_2025 huggingface dataset:
Future Extreme Climate Analysis of Jeju Using Climate Change Scenario and ETCCDI Index
Authors: Jeong Jin Woo , Jeung Se Jin , Kim Byung Sik
Published: August 2021

According to the fifth IPCC report, artificial greenhouse gases are at their highest level since they were first observed, and climate change is expected to have a significant impact on the ecosystem, necessitating a response from Korea. For the purpose of this study, Jeju Island was selected as the target area; the annual average precipitation of the region exhibited a 10% increase from 1,780 mm in 1991 to 1,961 mm in 2019; the annual average temperature increased by 0.3 ℃ over 10 years from 1961 to 2019. There are three weather stations (Jeju, Seogwipo, and Seongsan) on Mt. Halla, which is 1,950 m above sea level; among these stations, Jeju Island's climate patterns are the most atypical. The World Meteorological Organization’s (WMO) Expert Team on Climate Change Detection and Indices (ETCCDI) for Jeju Island's extreme climate analysis used 8 of the 27 indexes that are most closely related to climate. For analysis purposes, existing RCP 8.5 climate change scenario data were categorized as: past (data analyzed from 1991 to 2019), and future (data analyzed from 2020 to 2100). According to the extreme climate analysis, Jeju Observatory recorded its highest temperature at 25 ℃ while exhibiting an increasing trend, and at Seongsan, highest temperature of less than 0 ℃ was recorded for more than 40 days in 1996. According to the climate change scenario, the number of hot days in Jeju, Seogwipo, and Seongsan is increasing, but the number of frost days has converged to zero with the progression of the second half of the 21st century. Japan's highest temperature chart shows that 40 ℃ spike in Jeju compared to other regions. Thus, this study highlights the necessity of considering the climate characteristics of each observatory, and the implementation of urban planning and disaster prevention measures.
Heat Transfer Characteristics of Asphalt Mixtures with Different Thicknesses
Authors: Lee Kwanho , Kim Seongkyum
Published: August 2021

Generally, the main causes of asphalt pavement damage are repeated loads and increased temperatures. The surrounding environment and material factors influence the degree of damage. In this study, the heat transfer characteristics with a change in the asphalt pavement thickness were analyzed. The sample types were the conventional dense asphalt mixture (WC-2), dense asphalt mixture containing 30% recycled aggregate (ReWC-2), and drainage asphalt mixture (PA-13). The mixtures were compacted using a rotary compactor. Thermal accumulation tests on samples with thicknesses of 3, 5, and 10 cm were performed. The values for the 10-cm-thick samples were 1.27 for WC-2, 1.28 for ReWC-2, and 0.91 for PA-13. The thermal conductivity tended to decrease as the pavement thickness increased. An experimental study on the heat transfer characteristics with varying thicknesses of asphalt pavement suitable for energy harvesting was conducted.
Numerical Simulations of Large Forest Fires in the East Coastal Region of Korea Considering the Yangganjipung Local Wind
Authors: Kim Namgyun , Kwak Jawhwan , Kim Man-Il
Published: August 2021

The east coastal region in Gangwon-do, Korea, has a high risk of large forest fires in the spring owing to the local wind called Yangganjipung. The East Coast forest fire of April 2000, the Yangyang forest fire of April 2005, and the Goseong forest fire of April 2019 are examples of large-scale forest fires caused by Yangganjipung. In the spring, the low pressure in the south and the high pressure in the north in Korea result in a western wind. This western wind is called Yangganjipung, and it exhibits characteristics of high temperatures, dryness, and high wind speeds over the Taebaek Mountains. Given that the risk of large forest fires is high in the east coastal region, the local government has established a forest fire prevention center to respond efficiently to such events. However, limitations pertaining to controlling the natural environment and limited equipment and workforce exist. In this study, the characteristics of previous forest fires in the east coastal region were analyzed through case studies, and two-dimensional numerical simulations of the Goseong forest fire of April 2019 were performed. The spreads of the predicted and actual forest fires were similar. In addition, forest fire spreading can be predicted more accurately if the model is improved by clarifying the terrain and fuel details. An effective plan for providing evacuation routes and resource allocation to mitigate large forest fires can thus be achieved using numerical simulation results.
Clinical potential of circulating free DNA and circulating tumour cells in patients with metastatic non‐small‐cell lung cancer treated with pembrolizumab
Authors: Mondelo‐Macía Patricia , García‐González Jorge , León‐Mateos Luis , Anido Urbano , Aguín Santiago , Abdulkader Ihab , Sánchez‐Ares María , Abalo Alicia , Rodríguez‐Casanova Aitor , Díaz‐Lagares Ángel , Lago‐Lestón Ramón Manuel , Muinelo‐Romay Laura , López‐López Rafael , Díaz‐Peña Roberto
Published: August 2021

Immune checkpoint inhibitors, such as pembrolizumab, are revolutionizing therapeutic strategies for different cancer types, including non‐small‐cell lung cancer (NSCLC). However, only a subset of patients benefits from this therapy, and new biomarkers are needed to select better candidates. In this study, we explored the value of liquid biopsy analyses, including circulating free DNA (cfDNA) and circulating tumour cells (CTCs), as a prognostic or predictive tool to guide pembrolizumab therapy. For this purpose, a total of 109 blood samples were collected from 50 patients with advanced NSCLC prior to treatment onset and at 6 and 12 weeks after the initiation of pembrolizumab. Plasma cfDNA was measured using hTERT quantitative PCR assay. The CTC levels at baseline were also analysed using two enrichment technologies (CellSearch® and Parsortix systems) to evaluate the efficacy of both approaches at detecting the presence of programmed cell death ligand 1 on CTCs. Notably, patients with high baseline hTERT cfDNA levels had significantly shorter progression‐free survival (PFS) and overall survival (OS) than those with low baseline levels. Moreover, patients with unfavourable changes in the hTERT cfDNA levels from baseline to 12 weeks showed a higher risk of disease progression. Additionally, patients in whom CTCs were detected using the CellSearch® system had significantly shorter PFS and OS than patients who had no CTCs. Finally, multivariate regression analyses confirmed the value of the combination of CTCs and cfDNA levels as an early independent predictor of disease progression, identifying a subgroup of patients who were negative for CTCs, who presented low levels of cfDNA and who particularly benefited from the treatment.
Organic Single Crystal Patterning Method for Micrometric Photosensors
Authors: Serra João , Sequeira Sara , Domingos Ismael , Paracana Ana , Maçôas Ermelinda , Melo Luís V. , Pires Bernardo J. , Cardoso Susana , Leitao Diana C. , Alves Helena
Published: August 2021

Light detection technologies are of interest due to their applications in energy conversion and optical communications. Single‐crystal organic semiconductors, such as rubrene, present high detectivities and charge carrier mobility, making them attractive for light‐sensing applications. Growth of high crystallinity organic crystals is achieved using vapor processes, forming crystals of arbitrary shapes and orientations and requiring posterior patterning processes. However, patterning the organic semiconductors using industry‐standard microfabrication techniques is not straightforward, as these often cause irreversible damage to the crystals. Here the fabrication of patterned micrometric rubrene photosensors is demonstrated through a combination of photolithography and Reactive Ion Etching steps. Protective layers during microfabrication minimize degradation of optoelectronic properties of the organic single crystals during fabrication. Crystals undergoing the patterning process presented a survival rate of 39%. Photoresponse values of up to 41 mA W−1 are obtained under illumination at 500 nm. This opens a route for the industrial‐scale fabrication process of high‐performance optoelectronic devices based on organic crystals semiconductors.
Self‐Reconstruction of Sulfate‐Containing High Entropy Sulfide for Exceptionally High‐Performance Oxygen Evolution Reaction Electrocatalyst
Authors: Nguyen Thi Xuyen , Su Yen‐Hsun , Lin Chia‐Chun , Ting Jyh‐Ming
Published: August 2021

Novel earth‐abundant metal sulfate‐containing high entropy sulfides, FeNiCoCrXS2 (where X = Mn, Cu, Zn, or Al), are synthesized via a two‐step solvothermal method. It is shown that sulfate‐containing FeNiCoCrMnS2 exhibits superior oxygen evolution reaction (OER) activity with an exceptionally low overpotential of 199, 246, 285, and 308 mV at current densities of 10, 100, 500, and 1000 mA cm–2, respectively, and surpassing its unary‐, binary‐, ternary‐, and quaternary‐metal counterparts. The electrocatalyst yields exceptional stability after 12 000 cycles and 55 h of durability even at a high current density of 500 mA cm–2. Various in situ and ex situ analyses are used to investigate the self‐reconstruction of the sulfides during the OER for the first time. The resulting metal (oxy)hydroxide is believed to be the true active center for OER. The remaining sulfate also contributes to the catalytic activity. Density function theory calculation is in good agreement with the experimental result. The extraordinary OER performance of the high entropy sulfide brings a great opportunity for desirable catalyst design for practical applications.
Manipulating Electrocatalytic Li2S Redox via Selective Dual‐Defect Engineering for Li–S Batteries
Authors: Shi Zixiong , Sun Zhongti , Cai Jingsheng , Yang Xianzhong , Wei Chaohui , Wang Menglei , Ding Yifan , Sun Jingyu
Published: August 2021

Lithium–sulfur (Li–S) batteries are promising candidates for next‐generation energy storage, yet they are plagued by the notorious polysulfide shuttle effect and sluggish redox kinetics. While rationally designed redox mediators can facilitate polysulfide conversion, favorable bidirectional sulfur electrocatalysis remains a formidable challenge. Herein, selective dual‐defect engineering (i.e., introducing both N‐doping and Se‐vacancies) of a common MoSe2 electrocatalyst is used to manipulate the bidirectional Li2S redox. Systematic theoretical prediction and detailed electrokinetic analysis reveal the selective electrocatalytic effect of the two types of defects, thereby achieving a deeper mechanistic understanding of the bidirectional sulfur electrochemistry. The Li–S battery using this electrocatalyst exhibits excellent cyclability, with a low capacity decay rate of 0.04% per cycle over 1000 cycles at 2.0 C. More impressively, the potential for practical applications is highlighted by a high areal capacity (7.3 mAh cm−2) and the construction of a flexible pouch cell. Such selective electrocatalysis created by dual‐defect engineering is an appealing approach toward working Li–S systems.
2D Ti3C2Tx MXenes: Visible Black but Infrared White Materials
Authors: Li Yang , Xiong Cheng , Huang He , Peng Xudong , Mei Deqing , Li Meng , Liu Gongze , Wu Maochun , Zhao Tianshou , Huang Baoling
Published: August 2021

Black inorganic materials with low infrared absorption/emission (or IR white) are rare in nature but highly desired in numerous areas, such as solar–thermal energy harvesting, multispectral camouflage, thermal insulation, and anti‐counterfeiting. Due to the lack of spectral selectivity in intrinsic materials, such counter‐intuitive properties are generally realized by constructing complicated subwavelength metamaterials with costly nanofabrication techniques. Here, the intrinsically low mid‐IR emissivity (down to 10%) of the 2D Ti3C2Tx MXene is reported. Associated with a high solar absorptance (up to 90%), it embraces the best spectral selectivity among the reported intrinsic black solar‐absorbing materials. Its appealing potential in several of the aforementioned areas is experimentally demonstrated. First‐principles calculations reveal that the IR emissivity of MXene relies on both the nanoflake orientations and terminal groups, indicating great tunability. The calculations also suggest more potential low‐emissivity MXenes including Ti2CTx, Nb2CTx, and V2CTx. This work opens the avenue to further exploration of a family of intrinsically low‐emissivity materials with over 70 members.
Mo2N–W2N Heterostructures Embedded in Spherical Carbon Superstructure as Highly Efficient Polysulfide Electrocatalysts for Stable Room‐Temperature Na–S Batteries
Authors: Zhang Shipeng , Yao Yu , Jiao Xiaojuan , Ma Mingze , Huang Huijuan , Zhou Xuefeng , Wang Lifeng , Bai Jintao , Yu Yan
Published: August 2021

Room‐temperature sodium–sulfur (RT Na–S) batteries are highly desirable for a sustainable large‐scale energy‐storage system due to their high energy density and low cost. Nevertheless, practical applications of RT Na–S batteries are still prevented by the shuttle effect of sodium polysulfides (NaPS), slow reaction kinetics of S, and incomplete conversion process of NaPS. Here, Mo2N–W2N heterostructures embedded in a spherical carbon superstructure (Mo2N–W2N@PC) are designed to efficiently suppress the “polysulfide shuttle” and promote NaPS redox reactions. The designed Mo2N–W2N@PC heterostructure with abundant heterointerfaces, high conductivity, and porosity can facilitate electron/ion diffusion and provide high catalytic activity for efficient NaPS conversion. The obtained Na–S battery delivers high reversible capacity with superior long‐term cyclability (517 mAh g−1 at 1 A g−1 after 400 cycles) and unprecedented rate capability (417 mAh g−1 at 2 A g−1). Furthermore, the electrocatalysis mechanism is revealed by combining in situ X‐ray diffraction (XRD), ex situ X‐ray photoelectron spectroscopy (XPS), UV–vis spectra, and precipitation experiments. This work demonstrates a novel heterostructure design strategy that enables high‐performance Na–S batteries.
A Facile One‐Pot Method for Fabricating Assembled Gold Nanoparticle Films with Tunable Morphologies Directly from Chloroauric Acid
Authors: Wu Qiu‐yan , Wu Peng , Zhong Lu‐bin , Zhang Qi‐jun , Zhao Xue‐qin , Zheng Yu‐ming
Published: August 2021

Assemblies of nanoparticles possess extensive potentials for various applications due to their unique properties. These properties are significantly related to the morphology (size, shape) and spatial positioning of nanoparticles. To meet the needs of different application fields, it is important to tune the structures of assemblies in a controllable way. Currently, the morphology control and assembly of nanoparticles are generally conducted in two separate steps, which cannot resolve the contradiction between the need of sufficient surface charge for stabilizing nanoparticles and the necessity of overcoming the electrostatic repulsion during self‐assembly process. In this study, a simple one‐pot method to fabricate assembled gold nanoparticles (AuNPs) films with tunable morphologies is proposed. AuNPs are synthesized and self‐assembled simultaneously at cyclohexanone–water interface. The cyclohexanone in this system not only reduces the chloroauric acid solution to form AuNPs, but also establishes an oil–water interface with low interface energy, which can capture the AuNPs effectively for forming an ordered array. Furthermore, the morphologies of AuNPs are manipulated by simply tuning pH of the chloroauric acid solution. The fabricated AuNPs films with different morphologies are demonstrated to be applicable for surface enhanced Raman scattering detection, catalytic monitoring, and sensing.
An Organic Electrochemical Transistor to Monitor Salmonella Growth in Real‐Time
Authors: Butina Karen , Filipović Filip , Richter‐Dahlfors Agneta , Parlak Onur
Published: August 2021

Organic electrochemical transistors (OECTs) are used in research and diagnostic applications due to their facile manufacture, scalability, and biocompatibility. In these devices, the source–drain current upon gate voltage application depends on ion concentration in the electrolyte. This study investigates whether an OECT can be employed to monitor bacterial growth since it is known that the concentration of charged species increases in bacterial cultures during growth. A poly(3,4‐ethylenedioxythiophene):polystyrene sulfonate‐based single‐well OECT, compatible with long‐term incubation of bacterial cultures, is fabricated. It is shown that the growth of Salmonella alters the transfer characteristics of the device and demonstrates how it can be applied to monitor growth in real‐time by recording the source–drain current at gate voltage +0.5 V. The signal can also be measured in filtrates of bacterial cultures, devoid of bacterial cells. This suggests that the signal originates from charged metabolic products. Bacterial biofilm formation does not alter the device response. This proof‐of‐principle study presents OECT recordings as an alternative to optical methods, allowing bacterial growth to be monitored in transparent and opaque media alike. By measuring metabolic products rather than bacterial cell multiplication, insight into the stationary phase and other nondividing states may be obtained in the future.
FeCo/ZnO Composite Nanofibers for Broadband and High Efficiency Microwave Absorption
Authors: Yang Jingnan , Guan Guangguang , Yan Liang , Xu Jiahuan , Xiang Jun , Zhang Kaiyin
Published: August 2021

In this work, a novel nanofibrous absorber composed of FeCo alloy and ZnO nanoparticles (denoted as FeCo/ZnO NFs) is fabricated through electrospinning and subsequent calcination and hydrogen reduction. Benefiting from the advantages of their unique 1D and derived 3D network hierarchical structure, as well as the good synergistic effect between magnetic FeCo alloy and dielectric ZnO within the 1D nanospace, the present FeCo/ZnO NFs exhibit outstanding microwave absorption properties with an optimal reflection loss value of −83.4 dB and an effective absorption bandwidth of 8 GHz (10.0–18 GHz) at a small coating thickness of only 1.3 mm. Such performance is remarkably superior to those of many previously reported magnetic ZnO‐based absorbers, highlighting the great application potential of FeCo/ZnO NFs in the field of microwave absorption.
Pd‐Catalyzed Cyclization of Alkynyl Norbornene Derivatives for the Synthesis of Benzofused Heteroarenes
Authors: Kwak Hayeon , Kang Eunsu , Song Jae Yeong , Kang Geunhee , Joo Jung Min
Published: August 2021

Modular approaches, which allow a systematic variation of heteroaromatic cores and substituents, are crucial for the development of heteroaromatic drug candidates and organic functional materials. A new strategy involving the cyclization of heteroarenes tethered with alkynes through a norbornene bridge was developed. The precursors were readily prepared by a three‐component coupling process of heteroaryl halides, norbornadiene, and terminal alkynes. The Pd catalytic system derived from Pd(OAc)2and 2‐(pyrazol‐1‐yl)pyridine transformed a variety of five‐membered heteroarenes to the corresponding benzofused products, including (di)benzothiophene, indazole, carbazole, indole, and benzofuran, with aryl and alkyl substituents at the C4(C7) position. During the cyclization process, the norbornene ring underwent a retro‐Diels‐Alder reaction, serving as an acetylene synthon. This approach was used to synthesize naphthalene derivatives from electron‐rich arenes, demonstrating its versatility in the annulation of (hetero)aromatic rings.

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Synthesis of 2‐Imino‐1,3,4‐Selenadiazoles via Tributylphosphine‐Mediated Annulation of N‐Aroyldiazenes with Isoselenocyanates
Authors: Huang Zhengyan , Zhang Qianqian , Yi Xiaofei , Zhao Zongxiang , Yu Wenquan , Chang Junbiao
Published: August 2021

2‐Imino‐1,3,4‐selenadiazole derivatives can be synthesized from hydrazides and isoselenocyanates by sequential oxidation and a tributylphosphine (PBu3)‐promoted annulation reaction at room temperature. In this synthetic process, crude less stable N‐aroyldiazene intermediates generated by I2‐mediated oxidation of hydrazides were used directly in a subsequent annulation reaction to afford the selenadiazole products. The merits of the present synthetic strategy also include absence of transition metals and gram‐scale synthesis.

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Molecular Oxygen‐Mediated Radical Cyclization of Acrylamides with Boronic Acids
Authors: Pan Changduo , Yuan Cheng , Yu Jin‐Tao
Published: August 2021

A radical alkylarylation of 2‐aryl‐N‐methacryloyl indoles via autoxidation of alkylboronic acids was developed under metal‐free conditions for the construction of indolo[2,1‐a]isoquinolinone derivatives. Primary and secondary alkyl boronic acids were utilized as suitable alkyl sources with O2 as the clean and green oxidant in a simple operate mode. Moreover, this protocol can also be applied to the construction of benzimidazo‐[2,1‐a]isoquinolinone derivatives.

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Ir(I)‐Catalyzed C−H Glycosylation for Synthesis of 2‐Indolyl‐C‐Deoxyglycosides
Authors: Yu Changyue , Liu Yichu , Xie Xiong , Hu Shulei , Zhang Shurui , Zeng Mingjie , Zhang Dan , Wang Jiang , Liu Hong
Published: August 2021

The construction of 2‐deoxy‐C‐glycosides has gradually become a hotspot of carbohydrate chemistry in recent years. In this work, we present an efficient, regioselective, stereoselective and widely applicable strategy for the synthesis of 2‐indolyl‐C‐deoxyglycosides via Ir(I)‐catalyzed, pyridine‐group‐directed C−H functionalization. This method exhibits high tolerance for the functional groups of indoles and the protecting groups of carbohydrates. Moreover, this protocol has good stereoselectivity and mainly produces β‐configuration products. Gram‐scale synthesis and several practical transformations were conducted for further applications. Meantime, we also explored the mechanism of this method and proposed a catalytic cycle

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Advanced Nanotechnologies for Extracellular Vesicle‐Based Liquid Biopsy
Authors: Min Li , Wang Binshuai , Bao Han , Li Xinran , Zhao Libo , Meng Jingxin , Wang Shutao
Published: August 2021

Extracellular vesicles (EVs) are emerging as a new source of biomarkers in liquid biopsy because of their wide presence in most body fluids and their ability to load cargoes from disease‐related cells. Owing to the crucial role of EVs in disease diagnosis and treatment, significant efforts have been made to isolate, detect, and analyze EVs with high efficiency. A recent overview of advanced EV detection nanotechnologies is discussed here. First, several key challenges in EV‐based liquid biopsies are introduced. Then, the related pivotal advances in nanotechnologies for EV isolation based on physical features, chemical affinity, and the combination of nanostructures and chemical affinity are summarized. Next, a summary of high‐sensitivity sensors for EV detection and advanced approaches for single EV detection are provided. Later, EV analysis is introduced in practical clinical scenarios, and the application of machine learning in this field is highlighted. Finally, future opportunities for the development of next‐generation nanotechnologies for EV detection are presented.
Association‐based activity coefficient model for electrolyte solutions
Authors: Lin Yu‐Jeng , Hsieh Cheng‐Ju , Chen Chau‐Chyun
Published: August 2021

This work presents an association‐based activity coefficient model that explicitly considers the solution nonideality due to associations among ions and solvent species. Built upon the electrolyte nonrandom two‐liquid (eNRTL) model, the model greatly improves the accuracy of eNRTL model for strongly associating electrolyte solutions due to presence of ionic species with high surface charge density. The model successfully correlates mean ionic activity coefficients of 46 aqueous single‐salt systems from 10 cations and 5 anions at 298.15 K up to their solubility limits. With the ion‐specific association parameters identified, the model accurately predicts activity and osmotic coefficients for aqueous mixed‐salt systems at 298.15 K. The temperature dependence of the model results has also been examined at 273–373 K. With superior accuracy over a wide range of concentration and temperature, the model represents a major advancement over eNRTL model and has a great potential to be a next‐generation model for electrolyte solutions.
Large‐Scale Surface Shape Sensing with Learning‐Based Computational Mechanics
Authors: Wang Kui , Mak Chi‐Hin , Ho Justin D. L. , Liu Zhiyu , Sze Kam‐Yim , Wong Kenneth K. Y. , Althoefer Kaspar , Liu Yunhui , Fukuda Toshio , Kwok Ka-Wai
Published: August 2021

Proprioception, the ability to perceive one's own configuration and movement in space, enables organisms to safely and accurately interact with their environment and each other. The underlying sensory nerves that make this possible are highly dense and use sophisticated communication pathways to propagate signals from nerves in muscle, skin, and joints to the central nervous system wherein the organism can process and react to stimuli. In a step forward to realize robots with such perceptive capability, a flexible sensor framework that incorporates a novel modeling strategy, taking advantage of computational mechanics and machine learning, is proposed. The sensor framework on a large flexible sensor that transforms sparsely distributed strains into continuous surface is implemented. Finite element (FE) analysis is utilized to determine design parameters, while an FE model is built to enrich the morphological data used in the supervised training to achieve continuous surface reconstruction. A mapping between the local strain data and the enriched surface data is subsequently trained using ensemble learning. This hybrid approach enables real time, robust, and high‐order surface reconstruction. The sensing performance is evaluated in terms of accuracy, repeatability, and feasibility with numerous scenarios, which has not been demonstrated on such a large‐scale sensor before.
A pilot study of changes in Total Worker Health® policies and programs and associated changes in safety and health climates in small business
Authors: Shore Erin , Tenney Liliana , Schwatka Natalie V. , Dally Miranda , Dexter Lynn , Brown Carol E. , Newman Lee S.
Published: August 2021

Background

There is little longitudinal research on whether changes to Total Worker Health® (TWH) policies and programs are associated with changes in health climate and safety climate. We hypothesize that as TWH policies and programs change, employees will report changes in safety climate and health climate from baseline to 1 year.

Methods

Twenty‐five diverse small businesses and their employees participated in assessments completed approximately 1 year apart. The exposures of interest, TWH policies and programs, were measured using the business‐level Healthy Workplace Assessment™ which collects information on six benchmarks. The outcomes of interest, employee perceptions of safety climate and health climate, were measured via an employee survey. We employed paired t‐tests and simple linear regression to assess change over a 1‐year period.

Results

The mean Healthy Workplace Assessment overall score changed by 11.3 points (SD = 11.8) from baseline to Year 1. From baseline to Year 1, the mean scores of each benchmark changed in a positive direction within this sample. The mean safety climate score and health climate score changed by +0.1 points (SD = 0.2) and +0.1 points (SD = 6.4) from baseline to Year 1, respectively. The associations between changes in the overall Healthy Workplace Assessment score and health climate and safety climate scores were negligible [β = 0.01 (95% confidence interval [CI]: 0.002, 0.02), and β = 0.01 (95% CI: 0.002, 0.02), respectively].

Conclusion

Our study suggests that when small businesses improve upon their TWH policies and programs they experience marginal measurable improvements in employee perceptions of their workplace safety climate and health climate.
Controllable Non‐Reciprocal Transmission of Single Photon in Möbius Structure
Authors: Zhu Hai‐Yuan , Hu Xin‐Yuan , Lin Jun‐Jie , Wu Jia‐Yi , Li Shuo , Wang Yan‐Xiang , Deng Fu‐Guo , Zhang Na‐Na
Published: August 2021

A controllable non‐reciprocal transmission model is proposed. The model contains a Möbius ring, which is connected with two 1D semi‐infinite chains, with a two‐level atom located inside one of the cavities of the Möbius ring. The Green function method is used to study the transmittance of a single photon through the model. The results show that non‐reciprocal transmission can be achieved in this model and the two‐level atom can behave as a quantum switch for non‐reciprocal transport of the single photon. This controllable non‐reciprocal transmission model may inspire new quantum non‐reciprocal devices.
A TiO2‐Co(terpyridine)2 Photocatalyst for the Selective Oxidation of Cellulose to Formate Coupled to the Reduction of CO2 to Syngas
Authors: Lam Erwin , Reisner Erwin
Published: August 2021

Immobilization of a phosphonated cobalt bis(terpyridine) catalyst on TiO2 nanoparticles generates a photocatalyst that allows coupling aqueous CO2‐to‐syngas (CO and H2) reduction to selective oxidation of biomass‐derived oxygenates or cellulose to formate. An enzymatic saccharification pre‐treatment process is employed that enables the use of insoluble cellulose as an electron‐donating substrate under benign aqueous conditions suitable for photocatalytic CO2 conversion. The hybrid photocatalyst consists of solely earth‐abundant components, and its heterogeneous nature allows for reuse and operation in aqueous solution for several days at 25 °C, reaching a cellulose‐to‐formate conversion yield of 17 %. Thus, the proof‐of‐concept for valorizing two waste streams (CO2 and biomass) simultaneously into value‐added chemicals through solar‐driven catalysis is demonstrated.
Engineering Oversaturated Fe‐N5 Multifunctional Catalytic Sites for Durable Lithium‐Sulfur Batteries
Authors: Zhang Yongguang , Liu Jiabing , Wang Jiayi , Zhao Yan , Luo Dan , Yu Aiping , Wang Xin , Chen Zhongwei
Published: August 2021

Lithium‐sulfur (Li‐S) batteries are regarded as a promising next‐generation system for advanced energy storage owing to a high theoretical energy density of 2600 Wh kg−1. However, the practical implementation of Li‐S batteries has been thwarted by the detrimental shuttling behavior of polysulfides, and the sluggish kinetics in electrochemical processes. Herein, a novel single atom (SA) catalyst with oversaturated Fe‐N5 coordination structure (Fe‐N5‐C) is precisely synthesized by an absorption–pyrolysis strategy and introduced as an effective sulfur host material. The experimental characterizations and theoretical calculations reveal synergism between atomically dispersed Fe‐N5 active sites and the unique carbon support. The results exhibit that the sulfur composite cathode built on the Fe‐N5‐C can not only adsorb polysulfides via chemical interaction, but also boost the redox reaction kinetics, thus mitigating the shuttle effect. Meanwhile, the robust three‐dimensional nitrogen doped carbon nanofiber with large surface area, and high porosity enables strong physical confinement and fast electron/ion transfer process. Attributed to such unique features, Li‐S batteries with S/Fe‐N5‐C composite cathode realize outstanding cyclability and rate capability, as well as high areal capacities under raised sulfur loading, which demonstrates great potential in developing advanced Li‐S batteries.
Decarboxylative Hydroxylation of Benzoic Acids
Authors: Su Wanqi , Xu Peng , Ritter Tobias
Published: August 2021

Herein, we report the first decarboxylative hydroxylation to synthesize phenols from benzoic acids at 35 °C via photoinduced ligand‐to‐metal charge transfer (LMCT)‐enabled radical decarboxylative carbometalation. The aromatic decarboxylative hydroxylation is synthetically promising due to its mild conditions, broad substrate scope, and late‐stage applications.
Harnessing Shape Complementarity for Upgraded Cyclohexane Purification through Adaptive Bottlenecked Pores in an Imidazole‐Containing MOF
Authors: Ye Chun‐Rong , Wang Wen‐Jian , Chen Wei , Xiao Yonghong , Zhang Hai‐Feng , Dai Bing‐Ling , Chen Si‐Han , Wu Xu‐Dong , Li Mian , Huang Xiao‐Chun
Published: August 2021

Shape complementarity is a biological craft for precisely binding substrates at protein–protein interfaces. An analogy to such a function can be drawn conceptually for crystalline porous solids; yet the manifested entities are rare in reticular chemistry. The bottleneck‐shaped pores carved out of a metal‐organic framework, Zn(MIBA)2 (aka. MAF‐stu‐13), can perfectly accommodate benzene molecules. Remarkably, its framework adapts to the optimal guest binding‐the enhanced host–guest interactions in the neck in turn minimize the guest‐guest repulsion in the pore to the extent it turns into attraction‐as demonstrated by the combined X‐ray structural and DFT computational studies. This adaptive material can be used for liquid‐phase production of ultrahigh‐purity (≥99 %) cyclohexane, achieving a balance between uptake capacity and separation selectivity and surpassing the performances of other porous and nonporous crystals reported recently (e.g. product purity 99.4 % vs. 97.5 % to date).
A Desolvation‐Free Sodium Dual‐Ion Chemistry for High Power Density and Extremely Low Temperature
Authors: Chen Jiawei , Peng Yu , Yin Yue , Fang Zhong , Cao Yongjie , Wang Yonggang , Dong Xiaoli , Xia Yongyao
Published: August 2021

The development of conventional rechargeable batteries based on intercalation chemistry in the fields of fast charge and low temperature is generally hindered by the sluggish cation‐desolvation process at the electrolyte/electrode interphase. To address this issue, a novel desolvation‐free sodium dual‐ion battery (SDIB) has been proposed by using artificial graphite (AG) as anode and polytriphenylamine (PTPAn) as cathode. Combining the cation solvent co‐intercalation and anion storage chemistry, such a SDIB operated with ether‐based electrolyte can intrinsically eliminate the sluggish desolvation process. Hence, it can exhibit an extremely fast kinetics of 10 Ag−1 (corresponding to 100C‐rate) with a high capacity retention of 45 %. Moreover, the desolvation‐free mechanism endows the battery with 61 % of its room‐temperature capacity at an ultra‐low temperature of −70 °C. This advanced battery system will open a door for designing energy storage devices that require high power density and a wide operational temperature range.
General, Metal‐free Synthesis of Carbon Nanofiber Assemblies from Plant Oils
Authors: Zhang Liyuan , Li Xinzhe , Antonietti Markus
Published: August 2021

We designed a metal‐free synthesis of carbon nanofiber based on ketene chemistry using phosphorus pentoxide (P2O5) and vegetable oil. Based on the characterization of intermediates, P2O5‐oil reaction yielded most possibly alkylketenes, which polymerized into poly(ketene) with abundant enol groups. The enol groups further reacted with P2O5, forcing the poly(ketene) to assemble into a nano‐sized preassembly structure. Moderate heating transforms these structures into carbonaceaus nanofibers. This approach is applicable to other chemicals with similar structure to vegetable oil. The carbon nanofibers with P‐O‐C functionalization show relatively high graphitization degree and promising textural properties. The C‐O‐P environment accounts for 66 at % of the total P and creates a superior thermal stability. As a model application, a CDI system built of a carbon‐nanofiber‐based electrode countered by an activated carbon‐based electrode exhibited exceptional performance.
High‐Affinity Dimeric Aptamers Enable the Rapid Electrochemical Detection of Wild‐Type and B.1.1.7 SARS‐CoV‐2 in Unprocessed Saliva
Authors: Zhang Zijie , Pandey Richa , Li Jiuxing , Gu Jimmy , White Dawn , Stacey Hannah D. , Ang Jann C. , Steinberg Catherine‐Jean , Capretta Alfredo , Filipe Carlos D. M. , Mossman Karen , Balion Cynthia , Miller Matthew S. , Salena Bruno J. , Yamamura Deborah , Soleymani Leyla , Brennan John D. , Li Yingfu
Published: August 2021

We report a simple and rapid saliva‐based SARS‐CoV‐2 antigen test that utilizes a newly developed dimeric DNA aptamer, denoted as DSA1N5, that specifically recognizes the spike proteins of the wildtype virus and its Alpha and Delta variants with dissociation constants of 120, 290 and 480 pM, respectively, and binds pseudotyped lentiviruses expressing the wildtype and alpha trimeric spike proteins with affinity constants of 2.1 pM and 2.3 pM, respectively. To develop a highly sensitive test, DSA1N5 was immobilized onto gold electrodes to produce an electrochemical impedance sensor, which was capable of detecting 1000 viral particles per mL in 1:1 diluted saliva in under 10 min without any further sample processing. Evaluation of 36 positive and 37 negative patient saliva samples produced a clinical sensitivity of 80.5 % and specificity of 100 % and the sensor could detect the wildtype virus as well as the Alpha and Delta variants in the patient samples, which is the first reported rapid test that can detect any emerging variant of SARS‐CoV‐2.
Mapping of N−C Bond Formation from a Series of Crystalline Peri‐Substituted Naphthalenes by Charge Density and Solid‐State NMR Methodologies
Authors: Rees Gregory J. , Pitak Mateusz B. , Lari Alberth , Day Stephen P. , Yates Jonathan R. , Gierth Peter , Barnsley Kristian , Smith Mark E. , Coles Simon J. , Hanna John V. , Wallis John D.
Published: August 2021

A combination of charge density studies and solid state nuclear magnetic resonance (NMR) 1JNC coupling measurements supported by periodic density functional theory (DFT) calculations is used to characterise the transition from an n–π* interaction to bond formation between a nucleophilic nitrogen atom and an electrophilic sp2 carbon atom in a series of crystalline peri‐substituted naphthalenes. As the N⋅⋅⋅C distance reduces there is a sharp decrease in the Laplacian derived from increasing charge density between the two groups at ca. N⋅⋅⋅C = 1.8 Å, with the periodic DFT calculations predicting, and heteronuclear spin‐echo NMR measurements confirming, the 1JNC couplings of ≈3–6 Hz for long C−N bonds (1.60–1.65 Å), and 1JNC couplings of <1 Hz for N⋅⋅⋅C >2.1 Å.
Cyano(triphenylsilyl)phosphanide as a Building Block for P,C,N Conjugated Molecules
Authors: Le Corre Grégoire , Gamboa‐Carballo Juan José , Li Zhongshu , Grützmacher Hansjörg
Published: August 2021

The cyano(triphenylsilyl)phosphanide anion was prepared as a sodium salt from 2‐phosphaethynolate. The electronic structure of this new cyano(silyl)phosphanide was studied via computational methods and its reactivity investigated using various electrophiles and Lewis acids, demonstrating its P‐ and N‐nucleophilicity. The ambident reactivity is in agreement with computations. The silyl group also shows lability and therefore the cyano(silyl)phosphanide can be considered as a phosphacyanamide synthon, [PCN]2−, and serves as building block for the transfer of a PCN moiety.
Automated, Multistep Continuous‐Flow Synthesis of 2,6‐Dideoxy and 3‐Amino‐2,3,6‐trideoxy Monosaccharide Building Blocks
Authors: Yalamanchili Subbarao , Nguyen Tu‐Anh , Zsikla Alexander , Stamper Gavin , DeYong Ashley E. , Florek John , Vasquez Olivea , Pohl Nicola L. B. , Bennett Clay S.
Published: August 2021

An automated continuous flow system capable of producing protected deoxy‐sugar donors from commercial material is described. Four 2,6‐dideoxy and two 3‐amino‐2,3,6‐trideoxy sugars with orthogonal protecting groups were synthesized in 11–32 % overall yields in 74–131.5 minutes of total reaction time. Several of the reactions were able to be concatenated into a continuous process, avoiding the need for chromatographic purification of intermediates. The modular nature of the experimental setup allowed for reaction streams to be split into different lines for the parallel synthesis of multiple donors. Further, the continuous flow processes were fully automated and described through the design of an open‐source Python‐controlled automation platform.
Tailored Chiral Copper Selenide Nanochannels for Ultrasensitive Enantioselective Recognition and Detection
Authors: Meng Dan , Hao Changlong , Cai Jiarong , Ma Wei , Chen Chen , Xu Chuanlai , Xu Liguang , Kuang Hua
Published: August 2021

We constructed a tailorable membrane channel system consisting of penicillamine molecules intercalated in copper selenide nanoparticles (Cu2−xSe NPs), which exhibited circular dichroism (CD) bands in the near infrared region (CD, 800–1600 nm) with a maximum intensity of 164.5 mdeg at 1440 nm. The chiral ligand hybridized to the surface of achiral Cu2−xSe NPs by breaking the intrinsic symmetry of Cu2−xSe NPs and further large‐scale assembly induced strong optical activity. The fabricated multilayer chiral membrane achieved an increased rectification ratio (RR) up to 114. The integration of penicillamine allowed for high enantioselective recognition against naproxen,which displayed high sensitivity with a limit of detection (LOD) as low as 0.027 nM.
Functionalized nanomagnetic graphene by ion liquid containing phosphomolybdic acid for facile and fast synthesis of paracetamol and aspirin
Authors: Nasiri Elahe , Kooshki Feridoon , Kooti Mohammad , Rezaeinasab Rezvan
Published: August 2021

A nanocomposite has been synthesized by supporting of polyaniline‐modified polyoxometalate‐paired poly(ionic liquid) on the surface of magnetic graphene and characterized by various techniques. The fabricated nanocomposite was found to be a versatile catalyst for the synthesis of paracetamol and aspirin drugs showing high activity and selectivity. The observed high catalytic activity of the newly synthesized catalyst, in the preparation of these two important drugs, can be attributed to the presence of graphene, which provides high surface area for the supporting of polyaniline–polyoxometalate pair and also to the strong acidity of the solid acid. This catalytic system has several advantages, such as simple experimental process, easy separation of the product, solvent‐free condition, efficient isolation, and recovery of the magnetic catalyst as well as high reusability.
An investigation on the performance of epoxy vitrimers based on disulfide bond
Authors: Li Ben , Zhu Guangming , Hao Yujia , Ren Tianning
Published: August 2021

The research for self‐healing epoxy vitrimers has attracted a lot of attention over the years. However, due to the special structure of the epoxy molecular chain, which limits its movement ability, epoxy vitrimers usually need to be healed under high temperature and pressure. So it is relatively difficult to healing. Here, a new type of cross‐linked network is obtained by cross‐linking hydrogenated bisphenol A epoxy resin and polypropylene glycol diglycidyl ether (PPGDGE) as hard and soft segments with an amine curing agent containing disulfide bonds. The addition of PPGDGE can improve the mobility of the molecular chains in the cross‐linked network we designed, thereby obtaining a novel epoxy vitrimers with better healing properties. The effect of PPGDGE content on the mechanical properties and self‐healing properties of the material was studied. The ideal sample HEP‐3 has a good tensile strength (33.4 MPa) and a completely broken sample can achieve a good self‐healing rate (71.5%) at 100°C for 3 h without high pressure. In addition, the ideal sample also has excellent shape memory properties (shape memory fixity ratio Rf = 97.1%, shape recovery ratio Rr = 94.9%). Moreover, due to the existence of the dynamic disulfide bond introduced by the curing agent 2‐aminophenyl disulfide, compared with traditional thermosetting epoxy resins, epoxy vitrimers prepared by us can be reshaped or postprocessed like thermoplastic polymers under specific conditions. These characteristics will become the guarantee for expanding the application range of epoxy materials.
The effect of Tris‐phosphaphenanthrene based phosphonate on the flame retardance, thermal decomposition, and crystallization of bio‐based poly(lactic acid)
Authors: Xia Long , Pang Fu‐Qu , Wei Fang‐Fang , Jian Rong‐Kun
Published: August 2021

With the aim to reduce the flammability of poly(lactic acid) (PLA), herein, Tris‐phosphaphenanthrene based phosphonate (DOT) originated from 10‐hydroxy‐9,10‐dihydro‐9‐oxa‐10‐phosphaphenanthrene‐10‐oxide (DOPO‐OH) and trihydroxymethyl aminomethane (Tris) was incorporated. Interestingly, DOT showed superior flame‐retardant efficiency for PLA, that was, PLA with 1 wt% DOT displayed a LOI value at 29.0%, about 49.0% increment as compared to virgin PLA, and passed a UL‐94V‐0 rating. Apart from the mentioned, cone calorimeter tests clearly demonstrated that DOT was beneficial for reducing the heat release in the whole combustion to some extent, for example, the peak heat release rate and the maximum average values of heat emission with a reduction of 15% and 17%, respectively. It was speculated that the improved flame retardance of PLA containing DOT was related to the melting droplet‐promotion effect and the vapor‐phase activity of DOT. Meanwhile, thermal stabilities of PLA/DOT were well maintained as compared to virgin PLA. Moreover, the existence of DOT promoted the crystallization of PLA owing to the nucleating effect of DOT.
Hybrid descriptive‐inferential method for key feature selection in prostate cancer radiomics
Authors: Barone Stefano , Cannella Roberto , Comelli Albert , Pellegrino Arianna , Salvaggio Giuseppe , Stefano Alessandro , Vernuccio Federica
Published: August 2021

In healthcare industry 4.0, a big role is played by radiomics. Radiomics concerns the extraction and analysis of quantitative information not visible to the naked eye, even by expert operators, from biomedical images. Radiomics involves the management of digital images as data matrices, with the aim of extracting a number of morphological and predictive variables, named features, using automatic or semi‐automatic methods. Multidisciplinary methods as machine learning and deep learning are fully involved in this field. However, the large number of features requires efficient and effective core methods for their selection, in order to avoid bias or misinterpretations problems. In this work, the authors propose a novel method for feature selection in radiomics. The proposed method is based on an original combination of descriptive and inferential statistics. Its validity is illustrated through a case study on prostate cancer analysis, conducted at the university hospital of Palermo, Italy.
Optimizing DNA hypomethylating therapy in acute myeloid leukemia and myelodysplastic syndromes
Authors: Straube Jasmin , Lane Steven W. , Vu Therese
Published: August 2021

The DNA hypomethylating agents (HMA) azacitidine (AZA) and decitabine (DAC) improve survival and transfusion independence in myelodysplastic syndrome (MDS) and enable a low intensity cytotoxic treatment for aged AML patients unsuitable for intensive chemotherapy, particularly in combination with novel agents. The proposed mechanism of AZA and DAC relies on active DNA replication and therefore patient responses are only observed after multiple cycles of treatment. Although extended dosing may provide the optimal scheduling, the reliance of injectable formulation of the drug limits it to intermittent treatment. Recently, an oral formulation of AZA demonstrated significantly improved patient relapse free survival (RFS) and overall survival (OS) when used as maintenance after chemotherapy for AML. In addition, both DAC and AZA were found to be highly effective to improve survival in elderly patients with AML through combination with other drugs. These recent exciting results have changed the therapeutic paradigm for elderly patients with AML. In light of this, we review current knowledge on HMA mechanism of action, clinical trials exploring dosing and scheduling, and recent HMA combination therapies to enhance efficacy.