bluuebunny/crossref_metadata_2025 huggingface dataset:
Early detection of cyanide, organophosphate and rodenticide pollution based on locomotor activity of zebrafish larvae
Authors: Wang Binjie , Zhu Junhao , Wang Anli , Wang Jiye , Wu Yuanzhao , Yao Weixuan
Published: December 2021

Cyanide, organophosphate and rodenticides are highly toxic substances widely used in agriculture and industry. These toxicants are neuro- and organotoxic to mammals at low concentrations, thus early detection of these chemicals in the aqueous environment is of utmost importance. Here, we employed the behavioral toxicity test with wildtype zebrafish larvae to determine sublethal concentrations of the above mentioned common environmental pollutants. After optimizing the test with cyanide, nine rodenticides and an organophosphate were successfully tested. The compounds dose-dependently initially (0–60-min exposure) stimulated locomotor activity of larvae but induced toxicity and reduced swimming during 60–120-min exposure. IC50 values calculated based on swimming distance after 2-h exposure, were between 0.1 and 10 mg/L for both first-generation and second-generation anticoagulant rodenticides. Three behavioral characteristics, including total distance travelled, sinuosity and burst count, were quantitatively analyzed and compared by hierarchical clustering of the effects measured by each three parameters. The toxicity results for all three behavioral endpoints were consistent, suggesting that the directly measured parameter of cumulative swimming distance could be used as a promising biomarker for the aquatic contamination. The optimized method herein showed the potential for utilization as part of a monitoring system and an ideal tool for the risk assessment of drinking water in the military and public safety.
Custo do capital próprio como taxa de desconto na avaliação de empresas no Brasil: evidências entre a teoria e a prática de mercado
Authors: Cabral Ludmila Lopes , Cunha Moisés Ferreira da , Machado Camila Araujo , Rech Ilírio José
Published: December 2021

A avaliação de empresa é potencialmente praticada e discutida pelos teóricos. Dentre os métodos de avaliação, o mais utilizado é o Fluxo de Caixa Descontado (FCD), cujo sucesso dependerá da correta determinação da taxa de desconto. Neste método, a mensuração do custo do capital próprio (Ke) é uma das etapas mais relevantes, pela maior subjetividade envolvida. Em mercados emergentes torna-se mais desafiador a mensuração desta taxa de desconto. Este artigo tem o objetivo de verificar se no Brasil existe aderência entre teoria e a prática do mercado quanto à estimação do Ke para valoração de empresas pelo FCD. A hipótese levantada é a de que as práticas do mercado brasileiro na determinação do Ke para avaliação de empresas pelo FCD estão condizentes com a teoria de finanças. Para verificar a hipótese, realizou-se uma pesquisa documental através da investigação dos Laudos de Avaliação das Companhias apresentados como requisito às ofertas públicas de aquisição de ações (OPA) registrados na Comissão de Valores Mobiliários (CVM) no período de 2005 a 2009. A amostra perfez 63 laudos os quais mensuraram o valor da entidade pelo FCD. A análise de resultados comprovou a aderência dos métodos utilizados pelos praticantes brasileiros e a literatura de finanças sobre o tema, levando a não rejeição da hipótese proposta inicialmente. Desta forma, as evidências encontradas neste estudo contribuem com os estudiosos, avaliadores e demais interessados no assunto e, atribui-se maior credibilidade às informações geradas pelas avaliações de empresas no Brasil, qualitativamente.
O CUMPRIMENTO DOS LIMITES FISCAIS RELATIVOS À DÍVIDA CONSOLIDADA LÍQUIDA NO ESTADO DE SANTA CATARINA ENTRE OS ANOS DE 2000 E 2013
Authors: Silva Gustavo Gaspary da , Platt Neto Orion Augusto
Published: December 2021

A Constituição Federal de 1988 definiu ao Senado Federal competência privativa para fixar os limites globais para o montante da Dívida Consolidada de todos os entes públicos. Diante disso, no ano de 2001, mediante proposta do Presidente da República, foi editada a Resolução n.º 40 para estabelecer tais limites. Neste contexto, o presente artigo tem como objetivo identificar se no Estado de Santa Catarina houve cumprimento dos limites fiscais relativos à Dívida Consolidada Líquida (DCL) entre os anos de 2000 e 2013. Quanto aos objetivos, esta pesquisa é classificada como descritiva; com abordagem qualitativa e quantitativa. Quanto aos procedimentos metodológicos, classifica-se como pesquisa bibliográfica e documental. Como fontes de dados, foram utilizados os demonstrativos contábeis sobre a DCL presentes nos Relatórios de Gestão Fiscal (RGF) do Estado de Santa Catarina referentes aos anos de 2000 a 2013, além das normas vigentes sobre a dívida pública. Pôde-se verificar que a relação da DCL com a Receita Corrente Líquida (RCL) foi reduzida de 183% para 48% entre os anos de 2000 e 2013. Tal redução deu-se em função da elevação da RCL e da diminuição da DCL ao longo da série. Em valores atualizados pela inflação, a DCL passou de R$ 13,6 bilhões para R$ 7,6 bilhões entre os anos de 2000 e 2013. A RCL, por sua vez, teve comportamento inverso à DCL, iniciando a série com R$ 7,6 bilhões no ano de 2000 e encerrando 2013 com R$ 16,4 bilhões. Por meio de análise dos dados obtidos nos demonstrativos contábeis, conclui-se que em todos os anos analisados o Estado demonstrou cumprimento do limite fiscal de 200% da RCL, conforme estabelecido na Resolução do Senado Federal.
UMA ANÁLISE DA EXTINÇÃO DA CONSOLIDAÇÃO PROPORCIONAL EM INVESTIMENTOS JOINT VENTURES A PARTIR DA PERSPECTIVA DAS EMPRESAS QUE CONTRIBUÍRAM JUNTO AO IASB
Authors: Souza Jocely Alves de , Tavares Márcia Ferreira Neves , Anjos Luiz Carlos Marques dos , Lopes Christianne Calado Vieira de Melo
Published: December 2021

Esta pesquisa objetivou evidenciar os principais comentários recebidos pelo International Accounting Standards Board (IASB) referentes à proposta de eliminação da consolidação proporcional para os investimentos controlados em conjunto (joint ventures) e suas influências na elaboração da norma final, a IFRS 11, promulgada pelo IASB. A pesquisa incluiu também a participação da única empresa brasileira que se manifestou sobre a questão perante a Comissão de Valores Mobiliários (CVM), em seu processo de audiência pública. A extinção da consolidação proporcional ocasionou mudanças diretas na análise das demonstrações contábeis das empresas, fazendo com que estudos acadêmicos nesse segmento tornem-se relevantes para a compreensão das atualizações contábeis e suas consequências para o mercado, contribuindo também com evidências sobre o processo político de construção e revisão de normas contábeis. A metodologia utilizada foi descritiva, com o método dedutivo, análise de conteúdo das cartas comentários, do documento base de Conclusão do IASB e utilizou-se do teste estatístico não paramétrico Qui Quadrado. Os principais resultados indicaram que a maior parte das empresas, que contribuíram com o IASB para o debate da extinção da consolidação proporcional, foram de origem europeia e, em sua grande maioria discordaram da eliminação da consolidação proporcional nos investimentos em joint ventures, argumentando que as demonstrações perderão o status de informação primária para os usuários da informação contábil, comprometendo assim a clareza das informações. Como conclusão, a pesquisa evidenciou que apesar de grandes discordâncias e fortes argumentos enviados pelas empresas, o IASB manteve o posicionamento de eliminação da consolidação proporcional, por meio da IFRS 11.
A educação das sensibilidades na extensão universitária: uma proposta lúdica e dialógica na ONG Atuação
Authors: De Paula Resende Laura , José Guilarduci Cláudio , Giarola Minucci Guimarães Winnie
Published: December 2021

Este artigo objetiva apresentar e analisar as ações realizadas no programa de extensão universitária Desempacotando a Biblioteca de São João del-Rei: Jogos, Brincadeiras e Teatro que tem sido executado na ONG Atuação, situada na cidade de São João del-Rei em Minas Gerais (Brasil). A proposta do programa visa efetivar uma prática artístico-pedagógica focada na educação das sensibilidades e, também, na reflexão sobre os pro-ductos estéticos pedagógicos resultantes dessa prática. Serão analisadas as propostas executadas, no intuito de debater a forma como os estímulos são recebidos pelos participantes e quais reações expressas por eles. A partir de estudos acerca do papel do lúdico na infância, adentraremos em questões sobre as possibilidades subjetivas de se trabalhar o lúdico, este por si mesmo, como possibilidade de instigar a criticidade através da reconstrução da realidade.
Physical activity and fitness in childhood cancer survivors: A scoping review
Authors: Wogksch Matthew D. , Goodenough Chelsea G. , Finch Emily R. , Partin Robyn E. , Ness Kirsten K.
Published: December 2021

Background

Estimates indicate that nearly 8% of the over 500,000 survivors of childhood cancer living in the United States are frail in their fourth and fifth decades of life, a phenotype typically seen in geriatric populations. Participation in regular physical activity to improve physical fitness in healthy and diseased populations reduces risk for frail health by increasing physiologic reserve. However, physical activity may not have the same effects on fitness in childhood cancer survivors as it does among their peers with no cancer history.

Aims

This scoping review seeks to describe associations between physical activity, physical fitness, chronic disease, and mortality in childhood cancer survivors.

Methods

Relevant literature was identified through a comprehensive search in the PubMed, Web of Science, CINAHL, and Cochrane databases. A narrative synthesis was performed on observational studies that had physical activity or physical fitness clearly defined and compared with chronic disease outcomes.

Results

A total of 595 studies were screened, and results from 11 studies are presented. Childhood cancer survivors who participate in regular physical activity have improved markers of cardiovascular health, decreased risk of overt cardiovascular disease, and decreased risk of all‐cause mortality compared to survivors who are not physically active. Childhood cancer survivors who are physically fit have increased neurocognition, and decreased risk of all‐cause mortality compared to survivor's who are not fit. The differential effects of physical activity on fitness and health among childhood cancer survivors when compared to peers is potentially related to treatment exposures that damage cardiovascular tissue and impact regenerative potential.

Conclusion

Research is needed to determine the optimal timing, frequency, intensity, and duration of physical activity necessary to optimize fitness in childhood cancer survivors.
Phase‐Control of Single‐Crystalline Inorganic Halide Perovskites via Molecular Coordination Engineering
Authors: Lin Qingdong , Bernardi Stefano , Shabbir Babar , Ou Qingdong , Wang Mingchao , Yin Wenping , Liu Shiqi , Chesman Anthony S. R. , Fürer Sebastian O. , Si Guangyuan , Medhekar Nikhil , Jasieniak Jacek , Widmer‐Cooper Asaph , Mao Wenxin , Bach Udo
Published: December 2021

The excellent optoelectronic properties and structural stability of inorganic cesium lead halide perovskites make them promising candidates for multiple types of optoelectronic devices. However, it remains a challenge to fabricate monocrystalline phase‐pure perovskite microstructures by facile low‐temperature solution‐based methods. Herein, a solution‐based method is demonstrated for controlling the crystallization of cesium halide perovskite microstructures. The structure of perovskite crystals is successfully tuned from non‐corner sharing Cs4PbBr6 (0D) to corner‐sharing CsPbBr3 (3D) to layered CsPb2Br5 (2D) by controlling water (H2O) to dimethylsulfoxide (DMSO) ratios. Molecular dynamics simulations and thermodynamic analysis indicate that the relative stability of Pb2+ and Br− ions in solution is the key factor in determining which crystals form at different H2O/DMSO ratios, with Cs+ simply incorporated as needed. The phase‐pure 0D crystals exhibit a high photoluminescence quantum yield of 41%, whilst the 2D crystals have an onset of absorption at 350 nm. Furthermore, the as‐synthesized, highly uniform 3D perovskite single crystals are coupled with nanofabricated interdigitated electrodes to show excellent X‐ray detection, with a high sensitivity of 8000 μC Gyair−1cm−2 obtained under a 0.5V external bias. This is comparable to many commercial X‐ray detectors (Si, α‐Se) and several times higher than other reported inorganic perovskite materials (CsPbBr3 quantum dots, Cs2AgBiBr6).
Fundamental Investigation of Biomass Interaction for Green Composites: Experiments and Molecular Dynamics Simulations
Authors: Zhou Shengfei , Khan Talia , Jin Kai , Lee Jimin , Buehler Markus J.
Published: December 2021

Understanding biomass interaction is critical for bottom‐up design of novel biocomposites and existing manufacturing processes. In this study, interactions between bioadhesives (lignin, carbohydrates, or proteins) and fibers (cellulosic fiber or wood fiber) are elucidated via experimental bonding strength tests and molecular dynamics (MD) simulations. Experimental results reveal a good, nearly linear correlation between the composite's density and tensile strength, a finding which has rarely been reported previously. Adhesives are compared to one another: soy protein isolate is found to be the best for pinewood fiber, while apple pectin and soy protein isolate are the best for α‐cellulose fiber. It is further shown that the fiber type plays an important role in defining the composite strength. In agreement with experiments, the MD simulations at nanoscale predict a linear strength to density correlation; this is driven by the hydrogen bond (H‐bond) content in the composite. The H‐bond content is also found to determine the varied performances of different adhesives.
Reshapable MXene/Graphene Oxide/Polyaniline Plastic Hybrids with Patternable Surfaces for Highly Efficient Solar‐Driven Water Purification
Authors: Li Xiao‐Peng , Li Xiaofeng , Li Heguo , Zhao Yue , Wu Jing , Yan Shouke , Yu Zhong‐Zhen
Published: December 2021

Although many solar‐driven water evaporators are developed for solar steam generation, most solarthermal energy conversion materials cannot be used repeatedly for constructing solarthermal water evaporators with variable shapes and patternable surfaces. Herein, reshapable Ti3C2Tx MXene/graphene oxide (GO)/polyaniline (PANI) (MGP) hybrids with variable shapes and patternable surfaces are fabricated by PANI‐assisted assembly of GO and MXene for efficient solar‐driven purifications of both seawater and wastewater. The variable shapes, patternable surfaces, and reusability of the plastic MGP hybrids are attributed to the strong interactions of PANI with both GO and MXene. Benefiting from the excellent solarthermal energy conversion of hydrophilic GO and MXene, the variable shapes and patternable surfaces of the MGP, and the reduced water vaporization enthalpy, the patternable MGP evaporators with flat and concave pyramid surfaces exhibit average water evaporation rates of as high as 2.89 and 3.30 kg m−2 h−1 under 1‐sun irradiation, respectively. When the plastic MGP is molded to a flower‐shaped evaporator, an outstanding evaporation rate of ≈3.94 kg m−2 h−1 with an exceptional evaporation efficiency of ≈135.6% is achieved under 1‐sun irradiation. The reusable MGP evaporators are highly efficient in generating clean water from both seawater and wastewater with satisfactory ion rejection rates of nearly 100%.
Superhydrophobic and Multifunctional Aerogel Enabled by Bioinspired Salvinia Leaf‐Like Structure
Authors: Zhang Xinhai , Lei Yang , Li Chenxi , Sun Gang , You Bo
Published: December 2021

The biomimetic exploration of functionalized materials is still of great importance to chemists and materials scientists, although the majority of the ingenious structures and functions of organisms are not simulated precisely. Here, taking inspiration from the strongly hydrophobic properties of the Salvinia leaf, a novel superhydrophobic and multifunctional aramid‐polyimide nanocomposite aerogel with Salvinia leaf‐like structures is fabricated (abbreviated to Bio‐ANFPI aerogel). The Bio‐ANFPI‐1 aerogel surface is covered with many of the generated spherical and hemispherical silica nanoparticles by a in situ siloxane polycondensation method, analogous to the Salvinia leaf surface, which facilitates the construction of the superhydrophobic aerogels (Bio‐ANFPI‐2) based on the Cassie‐Baxter model. It is found that the maximum stress and compressive modulus of the Bio‐ANFPI‐2 aerogel are improved by 174% and 245%, respectively. Further, the Bio‐ANFPI‐2 aerogel exhibits superhydrophobicity, with a water contact angle of 152° and a rolling angle of 8.3°. In addition, the aerogels possess a low thermal conductivity, excellent metal ion absorption capacity, and impressive absorption capacity of oil that maintained its initial value at ≈80% after 50 cycles at 88% compression. Overall, this work can enable a more general and practical manner of fabricating biomimetic high‐performance lightweight materials.
Biopolymer Nano‐Network for Antimicrobial Peptide Protection and Local Delivery
Authors: Klubthawee Natthaporn , Bovone Giovanni , Marco‐Dufort Bruno , Guzzi Elia A. , Aunpad Ratchaneewan , Tibbitt Mark W.
Published: December 2021

Antimicrobial resistance (AMR) develops when bacteria no longer respond to conventional antimicrobial treatment. The limited treatment options for resistant infections result in a significantly increased medical burden. Antimicrobial peptides offer advantages for treatment of resistant infections, including broad‐spectrum activity and lower risk of resistance development. However, sensitivity to proteolytic cleavage often limits their clinical application. Here, a moldable and biodegradable colloidal nano‐network is presented that protects bioactive peptides from enzymatic degradation and delivers them locally. An antimicrobial peptide, PA‐13, is encapsulated electrostatically into positively and negatively charged nanoparticles made of chitosan and dextran sulfate without requiring chemical modification. Mixing and concentration of oppositely charged particles form a nano‐network with the rheological properties of a cream or injectable hydrogel. After exposure to proteolytic enzymes, the formed nano‐network loaded with PA‐13 eliminates Pseudomonas aeruginosa during in vitro culture and in an ex vivo porcine skin model while the unencapsulated PA‐13 shows no antibacterial effect. This demonstrates the ability of the nano‐network to protect the antimicrobial peptide in an enzyme‐challenged environment, such as a wound bed. Overall, the nano‐network presents a useful platform for antimicrobial peptide protection and delivery without impacting peptide bioactivity.
Carbon Dots with Intrinsic Bioactivities for Photothermal Optical Coherence Tomography, Tumor‐Specific Therapy and Postoperative Wound Management
Authors: Liu Hao , Mo Luoqi , Chen Haolin , Chen Chao , Wu Jiayi , Tang Zhilie , Guo Zhouyi , Hu Chaofan , Liu Zhiming
Published: December 2021

Carbon dots (CDs) are considered as promising candidates with superior biocompatibilities for multimodel cancer theranostics. However, incorporation of exogenous components, such as targeting molecules and chemo/photo therapeutic drugs, is often required to improve the therapeutic efficacy. Herein, an “all‐in‐one” CDs that exhibit intrinsic bioactivities for bioimaging, potent tumor therapy, and postoperative management is proposed. The multifunctional CDs derived from gallic acid and tyrosine (GT‐CDs) consist of a graphitized carbon core and N, O‐rich functional groups, which endow them with a high near‐infrared (NIR) photothermal conversion efficiency of 33.9% and tumor‐specific cytotoxicity, respectively. A new imaging modality, photothermal optical coherence tomography, is introduced using GT‐CDs as the contrast agent, offering the micrometer‐scale resolution 3D tissue morphology of tumor. For cancer therapy, GT‐CDs initiate the intracellular generation of reactive oxygen species in tumor cells but not normal cells, further induce the mitochondrial collapse and subsequent tumor cellular apoptosis. Combined with NIR photothermal treatment, synergistic antitumor therapy is achieved in vitro and in vivo. GT‐CDs also promote the healing process of bacteria‐contaminated skin wound, demonstrating their potential to prevent postoperative infection. The integrated theranostic strategy based on versatile GT‐CDs supplies an alternative easy‐to‐handle pattern for disease management.
Miniaturized Multispectral Detector Derived from Gradient Response Units on Single MAPbX3 Microwire
Authors: Xu Xiaobao , Han Zeyao , Zou Yousheng , Li Junyu , Gu Yu , Hu Dawei , He Yin , Liu Jiaxin , Yu Dejian , Cao Fei , Zeng Haibo
Published: December 2021

Miniaturized multispectral detectors are urgently desired given the unprecedented prosperity of smart optoelectronic chips for integrated functions including communication, imaging, scientific analysis, etc. However, multispectral detectors require complicated prism optics or interference/interferometric filters for spectral recognition, which hampers the miniaturization and their subsequent integration in photonic integrated circuits. In this work, inspired by the advance of computational imaging, optical‐component‐free miniaturized multispectral detector on 4 mm gradient bandgap MAPbX3 microwire with a diameter of 30 µm, is reported. With accurate composition engineering, halide ions in MAPbX3 microwire vary from Cl to I giving in the gradual variation of optical bandgap from 2.96 to 1.68 eV along axis. The sensing units on MAPbX3 microwire offer the response edge ranging from 450 to 790 nm with the responsivity over 20 mA W−1, −3dB width over 450 Hz, LDR of ≈60 dB, and a noise current less than ≈1.4 × 10−12 A Hz−0.5. As a result, the derived miniaturized detector achieves the function of multispectral sensing and discrimination with spectral resolution of ≈25 nm and mismatch of ≈10 nm. Finally, the proof‐of‐concept colorful imaging is successfully conducted with the miniaturized multispectral detector to further confirm its application in spectral recognition.
Combined High‐Speed Atomic Force and Optical Microscopy Shows That Viscoelastic Properties of Melanoma Cancer Cells Change during the Cell Cycle
Authors: Schächtele Marc , Kemmler Jan , Rheinlaender Johannes , Schäffer Tilman E.
Published: December 2021

Current high‐speed atomic force microscopy (HS‐AFM) setups reach imaging speeds of several images per second but often have limited options for imaging live cells because of a small scan range, a lack of environmental control, or a missing combination with optical phase‐contrast or fluorescence microscopy. A HS‐AFM setup is therefore developed with a large scan range optimized for imaging live cells. The setup is equipped with temperature and CO2 control and is mounted on an inverted optical microscope providing high‐quality phase‐contrast and fluorescence microscopy. To demonstrate the capabilities of the setup, fast force mapping on live human platelets is performed. Further, HS‐AFM images and optical phase‐contrast and actin fluorescence images of live cancer cells are simultaneously recorded, and two state‐of‐the‐art AFM modes for imaging viscoelastic sample properties, force clamp force mapping and resonance compensating chirp mode, are compared. The setup is then applied to the investigation of viscoelastic material properties of cells in different cell cycle states. Using a melanoma cell line with a fluorescent cell cycle sensor, it is found that during the cell cycle not only cell volume and morphology, but also viscoelastic material properties significantly change, with increasing stiffness and decreasing fluidity from the G1 through the G1/S to the S/G2/M phases.
Tunable Hyperbolic Phonon Polaritons in a Suspended van der Waals α‐MoO3 with Gradient Gaps
Authors: Zheng Zebo , Sun Fengsheng , Xu Ningsheng , Huang Wuchao , Chen Xuexian , Ke Yanlin , Zhan Runze , Chen Huanjun , Deng Shaozhi
Published: December 2021

Highly confined and low‐loss hyperbolic phonon polaritons (HPhPs) sustained in van der Waals crystals exhibit outstanding potential to concentrate the long‐wave electromagnetic fields deep into the subwavelength region. However, precise tuning on the HPhP propagation characteristics is a critical challenge to facilitate its practical applications in nanophotonic devices and circuits. This study, by taking advantage of the varying air gaps in a suspended van der Waals α‐MoO3 crystal, shows the feasibility to tune wavelength and damping rate of the HPhPs propagating inside the α‐MoO3. The results indicate that the dependence of polariton wavelength on the gap distance for HPhPs in lower and upper Reststrahlen bands contradict each other. Most interestingly, the tuning range of the polariton wavelengths for HPhPs in the lower band, which exhibits in‐plane hyperbolicity, is wider than that for HPhPs in the upper band which exhibits out‐of‐plane hyperbolicity. A polariton wavelength elongation of up to 160% and a reduction in the damping rate up to 35% is recorded. These findings can not only provide fundamental insight into the nanoscale manipulation of light by polaritonic crystals, but also open up new opportunities for tunable nanophotonic applications.
Enhanced Rashba Indirect Exciton Emission in 2D Dion–Jacobson Perovskite Microplates via Efficient Photon Recycling
Authors: Wang Haizhen , Liang Lihan , Li Junze , Yao Wendian , Li Dehui
Published: December 2021

2D Dion–Jacobson perovskite (4AMP)PbI4 (4AMP = 4‐(aminomethyl)piperidinium) (DJP) has recently attracted considerable attention due to its remarkable Rashba effect. Upon Rashba splitting in the momentum space of DJP, it is significant to identify the momentum‐indirect excitons (IXs) through photoluminescence spectroscopy and explore the photophysics influenced by the Rashba effect. In this work, a space‐confined aqueous method to synthesize single‐crystalline DJP microplates with uniform rectangular morphology is developed. Functioning as whispering‐gallery‐mode cavities, the as‐grown microplates exhibit greatly enhanced Rashba IX emission at all temperatures investigated through efficient photon recycling in the Rashba indirect gap. The efficient photon recycling can substantially extend the exciton transport length, which is conducive to light‐harvesting devices. This study not only provides a convenient method to observe Rashba states but also sheds light on the future applications of DJP in optoelectronics and optospintronics.
Flexible, Programmable, Chiroptical Polymer Films of Twisted Stacking Layers for Circular Polarization‐Based Multiplex Color Display
Authors: Xie Yifan , Yang Peng , Deng Linxiao , Feng Zeyu , Li Jiahe , Zhang Chutian , Tang Xi , Li Chenyan , Li Jialei , Xu Lixin , Zhang Douguo , Chen Xin , Zou Gang
Published: December 2021

Flexible films with strong and tunable chiroptical responses are highly desirable and potentially applicable in 3D display, wearable, and implantable devices, etc. Traditional organic or polymer‐based materials typically exhibit weak chiroptical response. Recently, strong chiroptical properties are reported for some chiral inorganic nanostructures and metasurfaces; however, the difficulties to fabricate and control chiroptical properties in a feasible and economical fashion on deformable substrate limit their practical applications. Herein, a simple and cost‐effective method is reported to fabricate flexible chiroptical polymeric films with giant optical activity (gabs > 0.5) via aligning two anisotropic polydiacetylene (PDA) layers in a twisted fashion. The chromatic transition of PDA is exploited to prepare films with either photonic homostructures or heterostructures to extend spectral range, each featuring distinct frequency dependence and adjustable optical activity. This allows to demonstrate a full color, high brightness, fast responsive, multiplex laser display based on circular polarization. The large chiroptical response of such films, combined with the tunability, flexibility, and compatibility with various substrate choices are also exploited in other applications such as circular polarized luminescence and optical encryption.
Sustainable Smart Tags with Two‐Step Verification for Anticounterfeiting Triggered by the Photothermal Response of Upconverting Nanoparticles
Authors: Maturi Fernando E. , Brites Carlos D. S. , Silva Robson R. , Nigoghossian Karina , Wilson Deivy , Ferreira Rute A. S. , Ribeiro Sidney J. L. , Carlos Luís D.
Published: December 2021

Quick‐response (QR) codes are gaining much consideration in recent years due to their simple and fast readability compared with conventional barcodes. QR codes provide increased storage capacity and safer access to information, fostering the development of optical or printed smart tags as preferred tools for the Internet of Things (IoT). Herein, the combination of Yb3+/Er3+‐doped NaGdF4upconverting nanoparticles (UCNPs) with recovered plastic for the fabrication of sustainable screen‐printed QR codes is reported. Their photothermal response under distinct power densities of the 980 nm laser irradiation (15–115 W cm−2) induces color‐tuning and temperature sensing. This power dependence is exploited to design a double key molecular keylock accessed by a smartphone camera through the red (R), green (G), and blue (B) (RGB) additive color model and upconversion thermometry. The latter is based on the integrated areas of the2H11/2→4I15/2and4S3/2→4I15/2Er3+transitions using the interconnectivity and integration into the IoT network of the mobile phone to download the temperature calibration curve of the UCNPs from a remote server. These findings illustrate the potential of QR codes‐bearing UCNPs toward the design of smart tags for mobile optical sensing and anticounterfeiting.
Diastereoselective Bidirectional C(sp3)−H Bond Functionalization of Piperazine Compounds
Authors: Zhou Xiao‐Le , Yeung Chi‐Tung , Kwok Chan Wesley Ting , Law Ga‐Lai
Published: December 2021

A highly diastereoselective bidirectional C(sp3)−H bond functionalization of piperazine compounds, triggered by a Lewis acid catalyzed sequential hydride shift/cyclization process, is reported. Catalysts and ligands are key factors that control the diastereoselectivity of the reaction. The reaction affords the product with good yield and high diastereoselectivity. Detailed investigation of the reaction mechanism reveals that the energy barrier between the cis products and trans products results in the diastereoselectivity of the reaction. The trans products, which have higher energy and which are generated from the cis products, act as intermediate products.

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A Hybrid Self‐Powered Arbitrary Wave Motion Sensing System for Real‐Time Wireless Marine Environment Monitoring Application
Authors: Bhatta Trilochan , Maharjan Pukar , Shrestha Kumar , Lee Sanghyun , Salauddin Md. , Rahman M. Toyabur , Rana S. M. Sohel , Sharma Sudeep , Park Chani , Yoon Sang Hyuk , Park Jae Yeong
Published: December 2021

Self‐powered arbitrary wave monitoring is a hot research topic which aims to remove of the trouble associated with managing conventional power for continuous and real‐time acquisition of wave information from the marine environment. Herein, an effective approach is presented that simultaneously generates power from arbitrary motion waves and can sense and wirelessly transmit the wave information without requiring an external supply. The hybridized ellipsoidal device inspired from an elliptical trajectory of objects over shallow water waves, consists of six planar spiral coils arranged to cover the arbitrary direction of waves for power generation. Four magnetic force‐actuated triboelectric nanogenerators (TENGs) pairs along four sides as the arbitrary direction self‐powered wave motion sensors are integrated. Furthermore, all the required circuitry for signal processing and wireless transmission are integrally powered by the generated electricity to realize a self‐sustained wireless marine environment monitoring system. The generator can deliver peak power of 106  and 44.8 mW (at 3Hz) along with major and minor axis motion directions. The self‐powered sensors have excellent motion sensitivity thus the signals obtained from these sensors are utilized to acquire useful information related to the water waves which are very crucial parameters for real‐time monitoring of the marine environment.
Optimizing the Proton Conductivity with the Isokinetic Temperature in Perovskite‐Type Proton Conductors According to Meyer–Neldel Rule
Authors: Du Peng , Li Nana , Ling Xiao , Fan Zhijun , Braun Artur , Yang Wenge , Chen Qianli , Yelon Arthur
Published: December 2021

Perovskite‐type metal oxides such as Y‐doped BaMO3 (M = Zr/Ce) have drawn considerable attention as proton‐conducting electrolytes for intermediate temperature ceramic electrochemical cells. Improving the proton conductivity at lower temperatures requires a comprehensive understanding of the proton conduction mechanism. By applying high pressure or varying the Ce content of Y‐doped BaMO3, it is demonstrated that the proton conductivity follows the Meyer–Neldel rule (MNR) well. In the Arrhenius plot, the conductivities intersect at an isokinetic temperature, where the proton conductivity is independent of activation energy. Considering the relationship between isokinetic temperature and lattice vibration frequency, a high isokinetic temperature is observed in materials with stiff lattices, consisting of light atoms and small MO bond length. Based on consideration of the MNR, it is suggested that the enhancement of proton conductivity at low temperature can be well achieved by tuning lattice vibration frequency toward a desired isokinetic temperature.
Interaction between Water Wave and Geometrical Structures of Floating Triboelectric Nanogenerators
Authors: Xu Shuxing , Liu Guanlin , Wang Jinbiao , Wen Honggui , Cao Sheng , Yao Huilu , Wan Lingyu , Wang Zhong Lin
Published: December 2021

Although triboelectric nanogenerators (TENGs) are highly efficient and adaptable in harvesting ocean wave energy, the dynamics of floating TENGs in underwater wave stimulations have so far rarely been studied. Herein, the interactions between centimeter‐scaled floating structures and water waves are experimentally revealed. By integrating inertial measurement units into the shells of various floating TENG structures, the primary acceleration data associated with different parameters are obtained. Based on the data of 63 literature reported floating TENGs, a series of experimental parameters are elaborately probed, including shell shape, shell size, weight, barycenter, wave strength/frequency, and wave‐producing methods. Through dynamic calculations, each can offer the kernel data of acceleration and frequency distribution curves, revealing several regularities in water–structure interactions associated with TENGs. These calculations could serve as guidance for the design of the future floating TENGs in blue energy harvesting.
Adaptive Platform Trials to Transform Amyotrophic Lateral Sclerosis Therapy Development
Authors: Paganoni Sabrina , Berry James D. , Quintana Melanie , Macklin Eric , Saville Benjamin R. , Detry Michelle A. , Chase Marianne , Sherman Alexander V. , Yu Hong , Drake Kristin , Andrews Jinsy , Shefner Jeremy , Chibnik Lori B. , Vestrucci Matteo , Cudkowicz Merit E. ,   for the Healey ALS Platform Trial Study Group
Published: December 2021

Current therapeutic development in amyotrophic lateral sclerosis (ALS) relies on individual randomized clinical trials to test a specific investigational product in a single patient population. This approach has intrinsic limitations, including cost, time, and lack of flexibility. Adaptive platform trials represent a novel approach to investigate several interventions for a single disease in a continuous manner. Already in use in oncology, this approach is now being employed more often in neurology. Here, we describe a newly launched platform trial for ALS. The Healey ALS Platform Trial is testing multiple investigational products concurrently in people with ALS, with the goal of rapidly identifying novel treatments, biomarkers, and trial endpoints. ANN NEUROL 2022;91:165–175
A Charge‐Switchable Zwitterionic Peptide for Rapid Detection of SARS‐CoV‐2 Main Protease
Authors: Jin Zhicheng , Mantri Yash , Retout Maurice , Cheng Yong , Zhou Jiajing , Jorns Alec , Fajtova Pavla , Yim Wonjun , Moore Colman , Xu Ming , Creyer Matthew N. , Borum Raina M. , Zhou Jingcheng , Wu Zhuohong , He Tengyu , Penny William F. , O'Donoghue Anthony J. , Jokerst Jesse V.
Published: December 2021

The transmission of SARS‐CoV‐2 coronavirus has led to the COVID‐19 pandemic. Nucleic acid testing while specific has limitations for mass surveillance. One alternative is the main protease (Mpro) due to its functional importance in mediating the viral life cycle. Here, we describe a combination of modular substrate and gold colloids to detect Mpro via visual readout. The strategy involves zwitterionic peptide that carries opposite charges at the C‐/N‐terminus to exploit the specific recognition by Mpro. Autolytic cleavage releases a positively charged moiety that assembles the nanoparticles with rapid color changes (t<10 min). We determine a limit of detection for Mpro in breath condensate matrices <10 nM. We further assayed ten COVID‐negative subjects and found no false‐positive result. In the light of simplicity, our test for viral protease is not limited to an equipped laboratory, but also is amenable to integrating as portable point‐of‐care devices including those on face‐coverings.
Developing an Effective Glycan‐Based Vaccine for Streptococcus Pyogenes
Authors: Mahmoud Asmaa , Toth Istvan , Stephenson Rachel
Published: December 2021

Streptococcus pyogenes is a primary infective agent that causes approximately 700 million human infections each year, resulting in more than 500 000 deaths. Carbohydrate‐based vaccines are proven to be one of the most promising subunit vaccine candidates, as the bacterial glycan pattern(s) are different from mammalian cells and show increased pathogen serotype conservancy than the protein components. In this Review we highlight reverse vaccinology for use in the development of subunit vaccines against S. pyogenes, and report reproducible methods of carbohydrate antigen production, in addition to the structure–immunogenicity correlation between group A carbohydrate epitopes and alternative vaccine antigen carrier systems. We also report recent advances used to overcome hurdles in carbohydrate‐based vaccine development.
Chemisch‐biologischer Werkzeugkasten für die intrazelluläre Bindungsstelle von CCR9: Fluoreszierende Liganden, neue Leitstrukturen und PROTACs
Authors: Huber Max E. , Toy Lara , Schmidt Maximilian F. , Vogt Hannah , Budzinski Julian , Wiefhoff Martin F. J. , Merten Nicole , Kostenis Evi , Weikert Dorothee , Schiedel Matthias
Published: December 2021

Eine konservierte intrazelluläre allosterische Bindungsstelle (IABS) wurde kürzlich an mehreren G‐Protein‐gekoppelten Rezeptoren (GPCRs) identifiziert. Ausgehend von Vercirnon, einem intrazellulären Antagonisten am C−C‐Chemokin‐Rezeptor‐Typ‐9 (CCR9), entwickelten wir molekulare Werkzeuge, die an der IABS von CCR9 angreifen. Zunächst synthetisierten wir fluoreszierende CCR9‐Liganden, die Bindungsstudien via NanoBRET sowie Fluoreszenzmikroskopie ermöglichten. Deren Anwendung in zellfreien sowie zellulären Testsystemen erlaubte die Identifizierung eines 4‐Aminopyrimidin‐Analogons als neuen intrazellulären CCR9‐Antagonisten mit verbesserter Affinität. Um den proteasomalen Abbau von CCR9 einzuleiten, entwickelten wir das erste PROTAC, das die IABS von GPCRs als Angriffsort nutzt. In einer Machbarkeitsstudie zeigen wir, dass unser CCR9‐PROTAC in der Lage ist, die CCR9‐Spiegel zu reduzieren, was einen konzeptionell neuartigen Ansatz zur Modulation der GPCR‐Aktivität darstellt.
Probing for the presence of semenogelin in human urine by immunological and chromatographic‐mass spectrometric methods in the context of sports drug testing
Authors: Breuer Johanna , Thomas Andreas , Geyer Hans , Thevis Mario
Published: December 2021

Rationale

An increasing number of adverse analytical findings (AAFs) in routine doping controls has been suspected and debated to presumably result from intimate contact with bodily fluids (including ejaculate), potentially facilitating the transfer of prohibited substances. More precisely, the possibility of prohibited drugs being present in ejaculate and introduced by sexual intercourse into the vagina of an athlete and, subsequently, into doping control urine samples, was discussed.

Methods

Two testing strategies to determine trace amounts of semenogelin I, a major and specific constituent of semen, were assessed as to their applicability to urine samples. First, the testing protocol of a lateral flow immunochromatographic test directed against semenogelin was adapted. Second, a liquid chromatography/tandem mass spectrometry (LC‐MS/MS)‐based method was established, employing solid‐phase extraction of urine, trypsinization of the retained protein content, and subsequent detection of semenogelin I‐specific peptides. Sensitivity, specificity, and reproducibility, but also recovery, linearity, precision, and identification capability of the approaches were assessed. Both assays were used to determine the analyte stability in urine (at 3 µL/mL) at room temperature, +4°C, and ‐20°C, and authentic urine samples collected either after (self‐reported) celibacy or sexual intercourse were subjected to the established assays for proof‐of‐concept.

Results

No signals for semenogelin were observed in either assay when analyzing blank urine specimens, demonstrating the methods’ specificity. Limits of detection were estimated with 1 µL and 10 nL of ejaculate per mL of urine for the immunochromatographic and the mass spectrometric approach, respectively, and figures of merit for the latter assay further included intra‐ and interday imprecision (4.5‐10.7% and 3.8‐21.6%), recovery (44%), and linearity within the working range of 0‐100 nL/mL. Spiked urine tested positive for semenogelin under all storage conditions up to 12 weeks, and specimens collected after sexual intercourse were found to contain trace amounts of semenogelin up to 55‐72 h.
The Influence of High‐Energy Faceted TiO2 Supports on Co and Co−Ru Catalysts for Dry Methane Reforming
Authors: Wasantwisut Somchate , Xiao Yuchen , Feng Pingyun , Gilliard‐Abdul‐Aziz Kandis Leslie
Published: December 2021

The reforming of methane from biogas has been proposed as a promising method of CO2 utilization. Co‐based catalysts are promising candidates for dry methane reforming. However, the main constraints limiting the large‐scale use of Co‐based catalysts are deactivation through carbon deposition (coking) and sintering due to weak metal‐support interaction. We studied the structure‐function properties and catalytic behavior of Co/TiO2 and Co−Ru/TiO2 catalysts using two different types of TiO2 supports, commercial TiO2 and faceted non‐stoichiometric rutile TiO2 crystals (TiO2*). The Co and Ru metal particles were deposited on TiO2 supports using a wet‐impregnation method with the percentage weight loading of Co and Ru of 5% and 0.5%, respectively. The materials were characterized using SEM, STEM‐HAADF, XRD, XPS and BET. The catalytic performance was studied using the CH4 : CO2 ratio of 3 : 2 to mimic the methane‐rich biogas composition. Our results indicate that the addition of Ru to Co catalysts supported on TiO2* reduces carbon deposition and influences oxygen mobility. Co and Co−Ru catalysts supported on TiO2* has superior activity with the highest conversion of CO2 and CH4 of 34.7% and 23.5%, respectively. Despite the improved performance, the Co−Ru/TiO2* catalyst has limited stability due to the proliferation of nanoparticle growth and TiOx layers on the surface of the nanoparticles indicating the prevalence of the strong‐metal support interaction.
Conditional Neural Process for nonparametric modeling of active galactic nuclei light curves
Authors: Čvorović‐Hajdinjak Iva , Kovačević Andjelka B. , Ilić Dragana , Popović Luka Č. , Dai Xinyu , Jankov Isidora , Radović Viktor , Sánchez‐Sáez Paula , Nikutta Robert
Published: December 2021

The consequences of complex disturbed environments in the vicinity of a supermassive black hole are not well represented by standard statistical models of optical variability in active galactic nuclei (AGN). Thus, developing new methodologies for investigating and modeling AGN light curves is crucial. Conditional Neural Processes (CNPs) are nonlinear function models that forecast stochastic time series based on a finite amount of known data without the use of any additional parameters or prior knowledge (kernels). We provide a CNP algorithm that is specifically designed for simulating AGN light curves. It was trained using data from the All‐Sky Automated Survey for Supernovae, which included 153 AGN. We present CNP modeling performance for a subsample of five AGNs with distinctive difficult‐to‐model properties. The performance of CNP in predicting temporal flux fluctuation was assessed using a minimizing loss function, and the results demonstrated the algorithm's usefulness. Our preliminary parallelization experiments show that CNP can efficiently handle large amounts of data. These results imply that CNP can be more effective than standard tools in modeling large volumes of AGN data (as anticipated from time‐domain surveys such as the Vera C. Rubin Observatory's Legacy Survey of Space and Time).
Cost analysis of subcritical water pretreatment of sugarcane straw and bagasse for second‐generation bioethanol production: a case study in a sugarcane mill
Authors: Sganzerla William Gustavo , Lachos‐Perez Daniel , Buller Luz Selene , Zabot Giovani L. , Forster‐Carneiro Tânia
Published: December 2021

The value of lignocellulose residues for green technologies has been growing, but biomass pretreatment is still an economic challenge. In this case study, a cost analysis of subcritical water pretreatment (SCWP) of sugarcane by‐products for ethanol production was conducted. The proposed industrial scheme is attached to a Brazilian sugarcane mill, which generates a surplus of bagasse. Seven scenarios were simulated to address the prospects of the implementation of the process in the mill. The fermentation of sugarcane bagasse hydrolysate with Scheffersomyces stipitis upgraded the ethanol yield. The fixed capital investment of the industrial process was approximately US$27 million and 35% of this was associated with the SCWP. The highest ethanol yield was obtained for the process operated with hydrolysate from sugarcane bagasse (6740.5 kg ethanol day−1), which is associated with the high hemicellulose content in the bagasse composition compared with straw. The cost difference revealed that the fixed capital investment and utilities were the largest expenses for process implementation and operation. The simulated process reached 5.45 US$ L−1 as the lowest cost of manufacturing. However, this cost is approximately 10‐fold higher than the market price for ethanol in Brazil. In conclusion, the SCWP of sugarcane straw and bagasse demands significant technical improvement before scaling up to the industrial scale for bioethanol production. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd