bluuebunny/crossref_metadata_2025 huggingface dataset:
Contributions of integrated community therapy in health promotion: integrative review / Contribuições da terapia comunitária integrativa na promoção da saúde: revisão integrativa
Authors: Brito da Silva Bianca Aparecida , Pereira Fernanda Andrade dos Reis , Oliveira Laís Fraga Alves de , Lara Sílvia Helena de Oliveira , Bressan Vânia Regina , Goyatá Sueli Leiko Takamatsu
Published: May 2021

Objetivo: Identificar as evidências científicas sobre as contribuições da Terapia Comunitária Integrativa na promoção da saúde da população e em estudantes universitários. Método: Trata-se de uma revisão integrativa da literatura. A busca foi realizada entre 2009 a 2018 nas bases de dados Pubmed/MEDLINE, CINAHL, LILACS e SCIELO. Os artigos incluídos foram submetidos à classificação do nível de evidência e à análise temática. Resultados: Foram identificados 191 artigos. Desses, 16 compuseram o corpus da revisão e envolveram as seguintes categorias temáticas: representação social e recursos culturais na TCI; contribuições da TCI na constituição de redes de apoio, empoderamento individual e enfrentamento do sofrimento emocional e TCI na promoção da saúde em estudantes universitários.  Conclusão: A TCI proporciona significativas contribuições como instrumento terapêutico na promoção da saúde em diferentes contextos culturais e sociais, contudo, nota-se que há escassez de pesquisas voltadas para estudantes universitários, o que aponta a necessidade de novos estudos.
Ultrafast Charging and Stable Cycling Dual‐Ion Batteries Enabled via an Artificial Cathode–Electrolyte Interface
Authors: Wang Yao , Zhang Yanjun , Wang Shuo , Dong Shuyu , Dang Chaoqun , Hu Weichen , Yu Denis Y. W.
Published: May 2021

Low‐cost and environment‐friendly dual‐ion batteries (DIBs) with fast‐charging characteristics facilitate the development of high‐power energy storage devices. However, the incompatibility between the cathode and electrolyte at high voltage results in low Coulombic efficiency (CE) and short lifespan. Here, the addition of ≈0.5 wt% lithium difluoro(oxalate) borate salt into the electrolyte forms a robust and durable cathode–electrolyte interface (CEI) in situ on the graphite surface, which enables remarkable cycling of the graphite||Li battery with 87.5% capacity retention after 4000 cycles at 5 C and ultrafast rate capability with 88.8% capacity retention under 40 C (4 A g−1), delivering high‐power of 0.4–18.8 kW kg−1 at energy densities of 422.7–318.8 Wh kg−1. Taking advantage of this robust CEI, a graphite||graphite full battery demonstrates high reversible capacities of 97.6, 92.8, 88.7, and 85.4 mAh (g cathode)−1 at current rates of 10, 20, 30, and 40 C, respectively. The full battery also shows a long cycling life of over 6500 cycles with 92.4% capacity retention and an average CE of ≈99.4% at 1 A g−1, which is superior to other dual‐graphite (carbon) batteries in the literature. This work offers an effective interface‐stabilizing strategy on protecting graphite cathodes and a promising approach for developing DIBs with high‐power capability.
Orientational Ordering within Semiconducting Polymer Fibrils
Authors: Mukherjee Subhrangsu , Gann Eliot , Nahid Masrur Morshed , McAfee Terry , Herzing Andrew A. , DeLongchamp Dean M. , Ade Harald
Published: May 2021

Due to a general paucity of suitable characterization methods, the internal orientational ordering of polymer fibrils has rarely been measured despite its importance particularly for semi‐conducting polymers. An emerging tool with sensitivity to bond orientation is polarized resonant soft X‐ray scattering (P‐RSoXS). Here, P‐RSoXS reveals the molecular arrangement within fibrils (if type I or type II fibrils), the extent of orientation in the fibril crystal, and an explicit crystal‐amorphous interphase. Neat films as well as binary blends with a fullerene derivative are characterized for three different polymers, that are prototypical materials widely used in organic electronics applications. Anisotropic P‐RSoXS patterns reveal two different fibril types. Analysis of the q‐dependence of the anisotropy from simulated and experimental scattering patterns reveal that neat polymer fibrillar systems likely comprise more than two phases, with the third phase in addition to crystal and amorphous likely being an interphase with distinct density and orientation. Intriguingly, the fibril type correlates to the H‐ or J‐aggregation signature in ultraviolet‐visible (UV–vis) spectroscopy, revealing insight into the fibril formation. Together, the results will open the door to develop more sophisticated structure‐function relationships between chemical design, fibril type, formation pathways and kinetics, interfacial ordering, and eventually device functions.
Design of Chemically Stable Organic Perovskite Quantum Dots for Micropatterned Light‐Emitting Diodes through Kinetic Control of a Cross‐Linkable Ligand System
Authors: Lee Hanleem , Jeong Ji Won , So Mo Geun , Jung Gun Young , Lee Chang‐Lyoul
Published: May 2021

Perovskite quantum dot (QD) light‐emitting diodes (PeLEDs) are ideal for next‐generation display applications because of their excellent color purity, high efficiency, and cost‐effective fabrication. However, developing a technology for high‐resolution multicolor patterning of perovskite QDs remains challenging, owing to the chemical instability of these materials. To overcome these issues, in this work, the generation of surface defects is prevented by controlling the ligand‐binding kinetics using a stable ligand system (Stable LS). The crystalline reconstruction of perovskite QDs after addition of the Stable LS results in an ≈18% increase in their photoluminescence quantum yield in solution and it also improves the ambient stability of the perovskite QD solution. Moreover, the perovskite QDs with Stable LS can undergo cross‐linking under UV irradiation. The tightly bridged perovskite QDs effectively prevent moisture‐assisted ligand dissociation in film state due to the increased hydrophobicity and restricted movement of the cross‐linked surface ligands. Thus, the cross‐linked perovskite QD film shows improved chemical/environmental stability without substantial deterioration in optoelectrical properties. As a result, a white electroluminescent device with high resolution (≈1 μm) is successfully fabricated by inkjet printing using green and red perovskite QDs.
Rapid Nitriding of Titanium Alloy with Fine Grains at Room Temperature
Authors: Fujita Keisuke , Ijiri Masataka , Inoue Yoichi , Kikuchi Shoichi
Published: May 2021

Multifunctional surfaces are required to design safe engineering products for human lives. Heating in a nitrogen atmosphere (nitriding) improves the tribological properties but reduces the strength of titanium (Ti) alloys owing to grain coarsening. A rapid nitriding method for Ti alloys forms the nitrided layer on the surface of a Ti alloy by bombarding with commercially pure Ti fine particles with a nitrided phase at room temperature within a short period. Furthermore, fine grains of Ti alloy are formed in the nitrided layer because of the impact of the Ti particles. These results reveal that this room‐temperature method resolves the trade‐off between the rapid formation of a nitrided layer and the suppression of grain coarsening for Ti alloys.
Review of Sorted Metallic Single‐Walled Carbon Nanotubes
Authors: Ko Jaehyoung , Joo Yongho
Published: May 2021

Since the development of sorting techniques for single‐walled carbon nanotubes (SWCNTs), devices where unsorted SWCNTs are applied have been increasingly replaced with electronically enriched SWCNTs to improve device performance. While remarkable success has been achieved in areas where enriched SWCNTs have been applied including conductive coatings, photovoltaics, lithium‐ion batteries, thermoelectrics, and electromagnetic interference shields, comprehensive reviews that highlight the impact of electronic monodispersity on device performance as compared with that of the unsorted SWCNTs is lacking. Also, the majority of studies on sorted SWCNTs have focused on semiconducting SWCNTs (s‐SWCNTs) owing to their diameter‐dependent bandgaps and their characteristic semiconducting nature. In stark contrast, research on metallic SWCNTs (m‐SWCNTs) has been largely disregarded despite their enormous potential for application in future electronics owing to their exceptional electrical properties and unique 1D metallic characteristics that are complementary to those of s‐SWCNTs. Thus, it is important to provide a comprehensive summary that highlights the role of m‐SWCNTs in areas that are applied and discussed in the literature. In this regard, a comprehensive review of research on m‐SWCNTs conducted in the past decade after the emergence of the sorting techniques is presented to summarize their purification, alignment, and implementation in different applications.
Ultrabright and Highly Efficient All‐Inorganic Zero‐Dimensional Perovskite Scintillators
Authors: Cheng Shuangliang , Nikl Martin , Beitlerova Alena , Kucerkova Romana , Du Xinyuan , Niu Guangda , Jia Yongchao , Tang Jiang , Ren Guohao , Wu Yuntao
Published: May 2021

Low‐dimensional halide perovskites with excellent luminescent properties have become leading candidates for optoelectronic and radiation‐detection applications. In this work, Tl cation is incorporated into 0D perovskite Cs3Cu2I5 host and an ultrabright and efficient scintillator is developed for X‐ray and γ‐ray detection. The Tl‐doped Cs3Cu2I5 crystals exhibit a high photoluminescence quantum efficiency of 79.2%. The radioluminescence emission of Cs3Cu2I5:Tl crystal under X‐ray excitation consists of a self‐trapped exciton emission at 440 nm and a Tl‐related emission at 510 nm at room temperature. With optimized Tl doping, the Cs3Cu2I5 not only demonstrates about five‐times enhanced steady‐state scintillation yield up to 150 000 photons/MeV and an improvement of X‐ray detection limit from 103.6 to 66.3 nGy s−1, but also maintains an extremely low afterglow of 0.17% at 10 ms after X‐ray cut‐off. The Cs3Cu2I5:Tl also possess a remarkable energy resolution of 3.4% at 662 keV and an ultrahigh light yield of 87 000 photons/MeV under 137Cs γ‐ray radiation.
Shaping Temporal Correlation of Biphotons in a Hot Atomic Ensemble
Authors: Li Kangkang , Zhao Yuan , Qin Yishan , Chen Zhili , Cai Yin , Zhang Yanpeng
Published: May 2021

The biphoton states have served as one of the candidates for most quantum‐enabled technologies. Moreover, with the benefit of photon–atom interactions, biphotons with controllable wave functions are particularly interesting in quantum information processes. Herein, an experimental realization of the shaping temporal correlation of biphotons from the four‐wave mixing process in a hot Rb atomic ensemble is presented. Based on the slow‐light effect and electromagnetically induced transparency in the group delay region, the precursor‐like propagation is observed and separated from the rising edge of the delayed wave packets of biphotons temporal correlation. In addition, the application of an additional dressing field enriches the features of the biphotons temporal correlation such as the manipulation of the dispersion experienced by the generated photons and controllable coherent time. Furthermore, with a higher optical depth and stronger dressing coupling effect, the temporal correlation of biphotons is shaped from the group delay region to the Rabi oscillation region and even superposed of them.
A Self‐Healing Crease‐Free Supramolecular All‐Polymer Supercapacitor
Authors: Mo Funian , Li Qing , Liang Guojin , Zhao Yuwei , Wang Donghong , Huang Yan , Wei Jun , Zhi Chunyi
Published: May 2021

While traditional three‐layer structure supercapacitors are under mechanical manipulations, the high‐stress region concentrates, inevitably causing persistent structural problems including interlayer slippage, crease formation, and delamination of the electrode–electrolyte interface. Toward this, an all‐polymeric, all‐elastic and non‐laminated supercapacitor with high mechanical reliability and excellent electrochemical performance is developed. Specifically, a polypyrrole electrode layer is in situ integrated into a silk fibroin‐based elastic supramolecular hydrogel film with extensive hydrogen and covalent bonds, where a non‐laminate device is realized with structural elasticity at the device level. The non‐laminate configuration can avoid slippage and delamination, while the elasticity can preclude crease formation. Furthermore, under more severe mechanical damage, the supercapacitors can restore the electrochemical performance through non‐autonomous self‐healing capabilities, where the supramolecular design of host–guest interactions in the hydrogel matrix results in a superior self‐healing efficiency approaching ≈95.8% even after 30 cutting/healing cycles. The all‐elastic supercapacitor delivers an areal capacitance of 0.37 F cm−2 and a volumetric energy density of 0.082 mW h cm−3, which can well‐maintain the specific capacitance even at −20 °C with over 85.2% retention after five cut/healing cycles.
Systematic in silico analysis of clinically tested drugs for reducing amyloid‐beta plaque accumulation in Alzheimer's disease
Authors: Madrasi Kumpal , Das Raibatak , Mohmmadabdul Hafiz , Lin Lin , Hyman Bradley T. , Lauffenburger Douglas A. , Albers Mark W. , Rissman Robert A. , Burke John M. , Apgar Joshua F. , Wille Lucia , Gruenbaum Lore , Hua Fei
Published: May 2021

Introduction

Despite strong evidence linking amyloid beta (Aβ) to Alzheimer's disease, most clinical trials have shown no clinical efficacy for reasons that remain unclear. To understand why, we developed a quantitative systems pharmacology (QSP) model for seven therapeutics: aducanumab, crenezumab, solanezumab, bapineuzumab, elenbecestat, verubecestat, and semagacestat.

Methods

Ordinary differential equations were used to model the production, transport, and aggregation of Aβ; pharmacology of the drugs; and their impact on plaque.

Results

The calibrated model predicts that endogenous plaque turnover is slow, with an estimated half‐life of 2.75 years. This is likely why beta‐secretase inhibitors have a smaller effect on plaque reduction. Of the mechanisms tested, the model predicts binding to plaque and inducing antibody‐dependent cellular phagocytosis is the best approach for plaque reduction.

Discussion

A QSP model can provide novel insights to clinical results. Our model explains the results of clinical trials and provides guidance for future therapeutic development.
Multi‐Selenophene‐Containing Narrow Bandgap Polymer Acceptors for All‐Polymer Solar Cells with over 15 % Efficiency and High Reproducibility
Authors: Fan Qunping , Fu Huiting , Wu Qiang , Wu Ziang , Lin Francis , Zhu Zonglong , Min Jie , Woo Han Young , Jen Alex K.‐Y.
Published: May 2021

All‐polymer solar cells (all‐PSCs) progressed tremendously due to recent advances in polymerized small molecule acceptors (PSMAs), and their power conversion efficiencies (PCEs) have exceeded 15 %. However, the practical applications of all‐PSCs are still restricted by a lack of PSMAs with a broad absorption, high electron mobility, low energy loss, and good batch‐to‐batch reproducibility. A multi‐selenophene‐containing PSMA, PFY‐3Se, was developed based on a selenophene‐fused SMA framework and a selenophene π‐spacer. Compared to its thiophene analogue PFY‐0Se, PFY‐3Se shows a ≈30 nm red‐shifted absorption, increased electron mobility, and improved intermolecular interaction. In all‐PSCs, PFY‐3Se achieved an impressive PCE of 15.1 % with both high short‐circuit current density of 23.6 mA cm−2 and high fill factor of 0.737, and a low energy loss, which are among the best values in all‐PSCs reported to date and much better than PFY‐0Se (PCE=13.0 %). Notably, PFY‐3Se maintains similarly good batch‐to‐batch properties for realizing reproducible device performance, which is the first reported and also very rare for the PSMAs. Moreover, the PFY‐3Se‐based all‐PSCs show low dependence of PCE on device area (0.045–1.0 cm2) and active layer thickness (110–250 nm), indicating the great potential toward practical applications.
Large Telluroxane Bowls Connected by a Layer of Iodine Ions
Authors: Kirsten Lars , Fonseca Rodrigues Jessica , Hagenbach Adelheid , Springer Andreas , Pineda Nahum R. , Piquini Paulo C. , Roca Jungfer Maximilian , Schulz Lang Ernesto , Abram Ulrich
Published: May 2021

Phenyltelluroxane clusters of the composition [{(PhTe)19O24}2I18(solv)] (1) are formed during the hydrolysis of [PhTeI3]2 or the oxidation of various phenyltellurium(II) compounds with iodine under hydrolytic conditions. The compounds consist of two half‐spheres with a {(PhTe)19O24}9+ network, which are connected by 18 iodine atoms. The spherical clusters can accommodate solvent molecules such as pyridine or methanol in the center of two rings formed by iodine atoms. The presence of other metal ions during the cluster formation results in a selective replacement of the central {PhTe}3+ units of each half‐sphere as has been demonstrated with the isolation of [{(PhTe)18({Ca(H2O)2}O24}2I16] (2) and [{(PhTe)18({Y(NO3)(H2O)}O24}2I16] (3). A crownether‐like coordination by six oxygen atoms of the telluroxane network is found for the {Ca(H2O}2}2+ and {Y(NO3)(H2O)}2+ building blocks. Mass spectrometric studies show that considerable amounts of the intact clusters are transferred to the gas phase without dissociation.
Can Aqueous Zinc–Air Batteries Work at Sub‐Zero Temperatures?
Authors: Zhao Chang‐Xin , Liu Jia‐Ning , Yao Nan , Wang Juan , Ren Ding , Chen Xiang , Li Bo‐Quan , Zhang Qiang
Published: May 2021

Efficient energy storage at low temperatures starves for competent battery techniques. Herein, inherent advantages of zinc–air batteries on low‐temperature electrochemical energy storage are discovered. The electrode reactions are resistive against low temperatures to render feasible working zinc–air batteries under sub‐zero temperatures. The relatively reduced ionic conductivity of electrolyte is identified as the main limiting factor, which can be addressed by employing a CsOH‐based electrolyte through regulating the solvation structures. Accordingly, 500 cycles with a stable voltage gap of 0.8 V at 5.0 mA cm−2 is achieved at −10 °C. This work reveals the promising potential of zinc–air batteries for low‐temperature electrochemical energy storage and inspires advanced battery systems under extreme working conditions.
Two‐period supply chain coordination strategies with ambidextrous sustainable innovations
Authors: Kumar Patanjal , Jakhar Suresh Kumar , Bhattacharya Arijit
Published: May 2021

This study considers a manufacturer with ambidextrous sustainable innovation capability selling products in environmentally conscious market through an independent retailer in a two‐period game setting. We design a two‐period game theoretic and dyadic supply chain (SC) model considering exploitative and exploratory nature of environmental innovations. We study five different contract types, namely, wholesale price contract, vertical Nash game structure, cost sharing contract, revenue sharing contract and two‐part tariff contract. We demonstrate the impact of market sensitivity towards sustainable innovation and cost parameters on optimal level of decision parameters. The equilibrium results reveal that a suitably designed two‐part tariff contract can be used to achieve coordination in a fragmented SC. The equilibrium results assist managers to optimise the SC based on the two‐period contract model. The results obtained in this study can help the decision‐makers to take decisions on investment in the ambidextrous sustainable innovation under different types of contract structures.
Stakeholder management in sustainable supply chains: A case study of the bioenergy industry
Authors: Siems Erik , Seuring Stefan
Published: May 2021

Engaging with stakeholders and managing their issues when striving for a sustainable supply chain (SC) is a significant challenge. Although most studies on sustainable supply chain management (SSCM) consider stakeholder management necessary, little is known about related stakeholder management practices in SSCM. Thus, this paper seeks to enrich the theoretical debate on stakeholder management practices in SSCM through a case study approach to bioenergy SCs in Chile. Based on 28 interviews with SC actors and representatives from the surrounding stakeholder environment, the deductive–inductive analysis reveals that stakeholder management combines different practices to discuss stakeholder concerns, address them, and evaluate the process at the SC's external and internal levels. We propose structuring these practices based on two dimensions: “practices to address stakeholder requirements” and “practices whereby stakeholders are integrated.” The analysis' results indicate that although two‐way communication with stakeholders can be seen as the core of stakeholder management, a certain willingness to learn and transform SC design is a prerequisite for true orientation toward stakeholder management in SSCM. Additionally, linkage development and local anchoring are practices used to obtain further legitimacy at the external level. Building on these findings, this study can guide practitioners in engaging with stakeholders and managing their issues across the SC.
Programmed death ligand‐1 regulates angiogenesis and metastasis by participating in the c‐JUN/VEGFR2 signaling axis in ovarian cancer
Authors: Yang Yufei , Xia Lingfang , Wu Yong , Zhou Hongyu , Chen Xin , Li Haoran , Xu Midie , Qi Zihao , Wang Ziliang , Sun Huizhen , Cheng Xi
Published: May 2021

Background

Although programmed cell death‐ligand 1 (PD‐L1) plays a well‐known function in immune checkpoint response by interacting with programmed cell death‐1 (PD‐1), the cell‐intrinsic role of PD‐L1 in tumors is still unclear. Here, we explored the molecular regulatory mechanism of PD‐L1 in the progression and metastasis of ovarian cancer.

Methods

Immunohistochemistry of benign tissues and ovarian cancer samples was performed, followed by migration, invasion, and angiogenesis assays in PD‐L1‐knockdown ovarian cancer cells. Immunoprecipitation, mass spectrometry, and chromatin immunoprecipitation were conducted along with zebrafish and mouse experiments to explore the specific functions and mechanisms of PD‐L1 in ovarian cancer.

Results

Our results showed that PD‐L1 induced angiogenesis, which further promoted cell migration and invasion in vitro and in vivo of ovarian cancer. Mechanistically, PD‐L1 was identified to directly interact with vascular endothelial growth factor receptor‐2 (VEGFR2) and then activated the FAK/AKT pathway, which further induced angiogenesis and tumor progression, leading to poor prognosis of ovarian cancer patients. Meanwhile, PD‐L1 was found to be regulated by the oncogenic transcription factor c‐JUN at the transcriptional level, which enhanced the expression of PD‐L1 in ovarian cancer. Furthermore, we demonstrated that PD‐L1 inhibitor durvalumab, combined with the antiangiogenic drug, apatinib, could enhance the effect of anti‐angiogenesis and the inhibition of cell migration and invasion.

Conclusion

Our results demonstrated that PD‐L1 promoted the angiogenesis and metastasis of ovarian cancer by participating in the c‐JUN/VEGFR2 signaling axis, suggesting that the combination of PD‐L1 inhibitor and antiangiogenic drugs may be considered as a potential therapeutic approach for ovarian cancer patients.
Chinese and global burdens of gastric cancer from 1990 to 2019
Authors: He Yuxin , Wang Yida , Luan Fujuan , Yu Zhuwen , Feng Huang , Chen Bingxin , Chen Weichang
Published: May 2021

Background

Gastric cancer is a common cancer in China. This project investigated the disease burden of gastric cancer from 1990 to 2019 in China and globally.

Methods

The global age‐standardized rates (ASRs) were extracted from the Global Burden of Disease. Moreover, the estimated annual percentage changes (eAPCs) in the ASRs of incidence (ASIR), mortality (ASMR), and disability‐adjusted life‐years (DALYs) were calculated to determine the trends by countries and regions.

Results

In China, the ASIR declined from 37.56 to 30.64 per 100,000 and the ASMR declined from 37.73 to 21.72 per 100,000. The global ASIR decreased from 22.44 to 15.59 and the ASMR declined from 20.48 to 11.88 per 100,000 persons from 1990 to 2019. The ASIR was the lowest in Malawi (3.28 per 100,000) and the highest in Mongolia (43.7 per 100,000), whereas the ASMR was the lowest in the United States of America (3.40 per 100,000) and the highest in Mongolia (40.04 per 100,000) in 2019. The incidence of early‐onset gastric cancer increased in China. The DALYs attributed to gastric cancer presented a slight decrease during the period. China had a higher mortality/incidence ratio (0.845) and 5‐year prevalence (27.6/100,000) than most developed countries.

Conclusion

China presented a steady decline in the incidence and mortality rates for gastric cancer. The global ASIR, ASMR, and DALYs showed a slight rise decrease. Different patterns of gastric cancer rates and temporal trends have been identified in different geographical regions, indicating that specific strategies are needed to prevent the increase in some countries.
Alopecic and aseptic nodules of the scalp: A new case with a systematic review of the literature
Authors: Bellinato Francesco , Maurelli Martina , Colato Chiara , Gisondi Paolo , Girolomoni Giampiero
Published: May 2021

Alopecic and aseptic nodule of the scalp/Pseudocyst of the scalp is a rare but probably underdiagnosed nonscarring alopecia with good prognosis and doxycycline is a safe and effective option treatment.
S‐PEEK as a Catalyst for Gas Phase OME Synthesis
Authors: Kley Klara S. , Grünert Anna , Schmidt Wolfgang , Schüth Ferdi
Published: May 2021

Oxymethylene ethers are a diesel additive/alternative, which reduce pollutant emissions. Based on methanol, it is possible to produce them from renewable energy and CO2. Sulfonated ion exchange resins are known to catalyze the synthesis of OME in liquid phase. Here, we report that the sulfonated polymer polyether‐ether‐ketone (S‐PEEK) exhibits outstanding catalytic properties in the gas phase synthesis of OMEn. PEEK was reacted with gaseous SO3 to a degree of 22 % sulfonated monomer units. Using this material as a catalyst in the direct conversion of formaldehyde and methanol, an extraordinary selectivity to OME1 and OME2 of 93 % at equilibrium conversion of 55 % was obtained. Further, it was shown that the catalyst is stable for more than 60 h, and that with increasing reaction time selectivity to OME2 increases.
Precursor Nuclearity and Ligand Effects in Atomically‐Dispersed Heterogeneous Iron Catalysts for Alkyne Semi‐Hydrogenation
Authors: Faust Akl Dario , Ruiz‐Ferrando Andrea , Fako Edvin , Hauert Roland , Safonova Olga , Mitchell Sharon , López Núria , Pérez‐Ramírez Javier
Published: May 2021

Nanostructuring earth‐abundant metals as single atoms or clusters of controlled size on suitable carriers opens new routes to develop high‐performing heterogeneous catalysts, but resolving speciation trends remains challenging. Here, we investigate the potential of low‐nuclearity iron catalysts in the continuous liquid‐phase semi‐hydrogenation of various alkynes. The activity depends on multiple factors, including the nuclearity and ligand sphere of the metal precursor and their evolution upon interaction with the mesoporous graphitic carbon nitride scaffold. Density functional theory predicts the favorable adsorption of the metal precursors on the scaffold without altering the nuclearity and preserving some ligands. Contrary to previous observations for palladium catalysts, single atoms of iron exhibit higher activity than larger clusters. Atomistic simulations suggest a central role of residual carbonyl species in permitting low‐energy paths over these isolated metal centers.
Unexpected Promotional Effects of Alkyl‐Tailed Ligands and Anions on the Electrochemical Generation of Ruthenium(IV)‐Oxo Complexes
Authors: Tsang Chui‐Shan , Lee Lawrence Yoon Suk , Cheung Kwong‐Chak , Chan Pak‐Ho , Wong Wing‐Leung , Wong Kwok‐Yin
Published: May 2021

Electro‐generation of RuIV=O species from the RuII‐aqua complex is a crucial step to excel the electrocatalytic water oxidation performance of ruthenium oxo complexes. We report herein the synthesis and X‐ray crystal structural characterizations of new RuII‐aqua complexes containing N‐substituted 2,2′‐dipyridylamine ligands (L) tagged with an alkyl chain of various lengths, [Ru(tpy)(L)(OH2)]2+. Cyclic voltammetric analyses show that the length of the alkyl chain exerts great influence on the electro‐generation of RuIV=O species. The L with a longer alkyl chain in an acidic aqueous medium promotes the conversion of RuIII−OH to RuIV=O efficiently. Surprisingly, this conversion can be further enhanced by the presence of perchlorate anions. Chronocoulometric data reveal that the alkyl chain on L promotes the adsorption of the ruthenium complex on the electrode surface. Bulk electrolysis results indicate that the [Ru(tpy)(dppa)(OH2)]2+ (dppa=(2,2′‐dipyridyl)‐n‐propylamine) gives the most active electrocatalytic water oxidation activity among the ruthenium‐aqua complexes investigated in this study.
Transmembrane Transport of Bicarbonate Unravelled**
Authors: Martínez‐Crespo Luis , Hewitt Sarah H. , De Simone Nicola Alessandro , Šindelář Vladimír , Davis Anthony P. , Butler Stephen , Valkenier Hennie
Published: May 2021

Anion receptors can be used to transport ions across lipid bilayers, which has potential for therapeutic applications. Synthetic bicarbonate transporters are of particular interest, as defects in transmembrane transport of bicarbonate are associated with various diseases. However, no convenient method exists to directly observe bicarbonate transport and study the mechanisms involved. Here, an assay is presented that allows the kinetics of bicarbonate transport into liposomes to be monitored directly and with great sensitivity. The assay utilises an encapsulated europium(III) complex, which exhibits a large increase in emission intensity upon binding bicarbonate. Mechanisms involving CO2 diffusion and the dissipation of a pH gradient are shown to be able to lead to an increase in bicarbonate concentration within liposomes, without transport of the anion occurring at all. By distinguishing these alternative mechanisms from actual bicarbonate transport, this assay will inform the future development of bicarbonate transporters.
Direct Synthesis of Nanosheet‐Stacked Hierarchical “Honey Stick‐like” MFI Zeolites by an Aromatic Heterocyclic Dual‐Functional Organic Structure‐Directing Agent
Authors: Wang Risheng , Peng Zhihua , Wu Pingping , Lu Jinzhi , Rood Mark J. , Sun Hongman , Zeng Jingbin , Wang Youhe , Yan Zifeng
Published: May 2021

Soft template designing is the most promising strategy for the synthesis of zeolite nanosheets. MFI nanosheets directed by soft templates (containing long‐chain alkyl groups or aromatic groups as hydrophobic component) can be found frequently; however, so far, MFI nanosheets synthesized by soft templates with aromatic heterocycle groups (e. g., s‐triazine groups) are rare. Herein, a nanosheet‐stacked hierarchical MFI zeolite (NSHM) has been synthesized by using a triply branched s‐triazine‐based surfactant as a bifunctional organic structure‐directing agent. On the basis of a geometrical match relationship, a formation model has been proposed. Synthesized NSHM had abundant mesopores stacked by nanosheets and exhibited a high surface area (430 m2 ⋅ g−1). The 1 wt% Pd/NSHM attained a significant increase in yield of cyclohexanol/cyclohexanone mixture (from 66 to 85 %) in the oxidation of cyclohexane compared with Silicalite‐1 and SBA‐15 as supports.
Consequences of Amide Connectivity in the Supramolecular Polymerization of Porphyrins: Spectroscopic Observations Rationalized by Theoretical Modelling
Authors: Weyandt Elisabeth , Filot Ivo A. W. , Vantomme Ghislaine , Meijer E. W.
Published: May 2021

The correlation between molecular structure and mechanism of supramolecular polymerizations is a topic of great interest, with a special focus on the pathway complexity of porphyrin assemblies. Their cooperative polymerization typically yields highly ordered, long 1D polymers and is driven by a combination of π‐stacking due to solvophobic effects and hydrogen bonding interactions. Subtle changes in molecular structure, however, have significant influence on the cooperativity factor and yield different aggregate types (J‐ versus H‐aggregates) of different lengths. In this study, the influence of amide connectivity on the self‐assembly behavior of porphyrin‐based supramolecular monomers was investigated. While in nonpolar solvents, C=O centered monomers readily assemble into helical supramolecular polymers via a cooperative mechanism, their NH centered counterparts form short, non‐helical J‐type aggregates via an isodesmic pathway. A combination of spectroscopy and density functional theory modelling sheds light on the molecular origins causing this stunning difference in assembly properties and demonstrates the importance of molecular connectivity in the design of supramolecular systems. Finally, their mutual interference in copolymerization experiments is presented.
Asymmetric Spirobiacridine‐based Delayed Fluorescence Emitters for High‐performance Organic Light‐Emitting Devices
Authors: Arai Hiroki , Sasabe Hisahiro , Tsuneyama Hisaki , Kumada Kengo , Kido Junji
Published: May 2021

Recently, researchers have focused on thermally activated delayed fluorescence (TADF) for efficient future lighting and displays. Among TADF emitters, a combination of triazine and acridine is a promising candidate for realizing high‐efficiency organic light‐emitting devices (OLEDs). However, simultaneous development of perfect horizontal orientation (Θ=100 %) and an external quantum efficiency (EQE) of over 40 % is still challenging. Here, to obtain insights for further improvements of a triazine/acridine combination, various asymmetric spirobiacridine (SBA)‐based TADF emitters with a unity photoluminescence quantum yield and high Θ ratio of over 80 % were developed. Furthermore, the substitution effects of the triazine acceptor unit on the photophysical properties were studied, including molecular orientations and OLED performance. The corresponding OLED exhibited sky‐blue emission with a high EQE of over 30 %.
A review of Leila Rose Foundation support for families affected by rare childhood cancer in Australia over the past decade
Authors: Sutherland Gemma , Chow Andrew , Chow Tracy , Broadley Christopher
Published: May 2021

Background

The Leila Rose Foundation (“the Foundation”) was established in April 2011, to address financial toxicity as well as the gaps in knowledge and support for families affected by a rare childhood cancer diagnosis in Australia.

Aim

The aim of this brief report is to analyze the diagnostic trends surrounding the rare cancer diagnoses for patients referred to the Foundation over the past decade and to present case studies evaluating the role of the Foundation's Family Support Coordinator in providing tailored, individualized support for families.

Methods

Eligibility for family support is restricted to children ≤ 14 years of age at diagnosis with a cancer that has an incidence less than 5% of all childhood cancers in Australia as reflected by national registry data. The analysis of diagnostic trends in this report, was based upon a systematic review of enrolment records. The role of the Family Support Coordinator is presented in four different case studies.

Results

As at 1 November 2020, the Foundation has supported 197 families affected by rare childhood cancer. Financial support of $825,000 has been provided directly to these families. Enrollment records demonstrate that 35 patients representing 18% of all enrollments have had a unique diagnosis that has not been recorded for any other enrolled patient highlighting that these diagnoses are very rare. The most frequent diagnoses have included Medulloblastoma, Ewing's Sarcoma and Wilm's Tumor (20, 19, 19 patients respectively). The Family Support Coordinator role has provided individualized support for families which has been greatly appreciated based upon ad hoc family feedback.

Conclusions

Challenges remain in terms of improving outcomes for families affected by rare childhood cancer. The Foundation is committed to leaving no stone unturned and delivering its unique support services to families in order to reduce the burden caused by a rare childhood cancer diagnosis both now and in the future.
Cooperative Chemotaxis of Magnesium Microswimmers for Corrosion Spotting
Authors: Pavel Ileana‐Alexandra , Salinas Gerardo , Mierzwa Maciej , Arnaboldi Serena , Garrigue Patrick , Kuhn Alexander
Published: May 2021

Numerous artificial micro‐ and nanomotors, as well as various swimmers have been inspired by living organisms that are able to move in a coordinated manner. Their cooperation has also gained a lot of attention because the resulting clusters are able to adapt to changes in their environment and to perform complex tasks. However, mimicking such a collective behavior remains a challenge. In the present work, magnesium microparticles are used as chemotactic swimmers with pronounced collective features, allowing the gradual formation of macroscopic agglomerates. The formed clusters act like a single swimmer able to follow pH gradients. This dynamic behavior can be used to spot localized corrosion events in a straightforward way. The autonomous docking of the swimmers to the corrosion site leads to the formation of a local protection layer, thus increasing corrosion resistance and triggering partial self‐healing.
Effects of artificial inoculation on trait correlations with resistance to Fusarium ear rot and fumonisin contamination in maize
Authors: Butoto Eric N. , Marino Thiago P. , Holland James B.
Published: May 2021

Breeding for resistance to Fusarium ear rot (FER;Fusarium verticillioidesNirenberg) and fumonisin (FUM) contamination in maize (Zea maysL.) is labor intensive, time consuming, and expensive. The objective of this study is to explore three possible shortcuts to improve the efficiency of breeding for resistance to FER and FUM: relying on natural instead of artificial inoculation ofFusarium verticillioides, selecting inbred lines per se instead of topcross hybrids, and using grain test weight (TW) as an indirect selection criterion. We selected the 27 most resistant and 26 most susceptible S0:1lines from the third cycle of a broad‐based recurrent selection population and topcrossed them to a common inbred line. The resulting topcross hybrids were evaluated in three North Carolina environments under artificial and natural inoculation ofF. verticillioides. The entry‐mean heritabilities for FER and FUM are considerably reduced under natural conditions compared to artificial inoculation; therefore, artificial inoculation should be practiced for efficient selection for resistance. We found a high correlation between FER and FUM content of S0:1lines per se and their topcross hybrids, suggesting that selection among early generation inbred lines per se is an efficient method to improve resistance in their topcross hybrids. The TW of inoculated S0:1lines per se was strongly and negatively correlated with FER and FUM of their topcross hybrids, suggesting that TW can be utilized as an indirect selection criterion to improve resistance to FER and FUM contamination.
Boolean dynamic modeling of cancer signaling networks: Prognosis, progression, and therapeutics
Authors: Sherekar Shubhank , Viswanathan Ganesh A.
Published: May 2021

Cancer is a multifactorial disease. Aberrant functioning of the underlying complex signaling network that orchestrates cellular response to external or internal cues governs incidence, progression, and recurrence of cancer. Detailed understanding of cancer's etiology can offer useful insights into arriving at novel therapeutic and disease management strategies. Such an understanding for most cancers is currently limited due to unavailability of a predictive large‐scale, integrated signaling model accounting for all tumor orchestrating factors. We suggest that the potential of Boolean dynamic (BD) modeling approaches, though qualitative, can be harnessed for developing holistic models capturing multi‐scale, multi‐cellular signaling processes involved in cancer incidence and progression. We believe that constraining such an integrated BD model with variety of omics data at different scales from laboratory and clinical settings could offer deeper insights into causal mechanisms governing the disease leading to better prognosis. We review the recent literature employing different BD modeling strategies to model variety of cancer signaling programs leading to identification of cancer‐specific prognostic markers such as SMAD proteins, which may also serve as early predictors of tumor cells hijacking the epithelial‐mesenchymal plasticity program.In silicosimulations of BD models of different cancer signaling networks combined with attractor landscape analysis and validated with experimental data predicted the nature of short‐ and long‐term response of standard targeted therapeutic agents such as Nutlin‐3, a small molecule inhibitor for p53‐MDM2 interaction. BD simulations also offered a mechanistic view of emerging resistance to drugs such as Trastuzumab for HER+ breast cancer, analysis of which suggested new combination therapies to circumvent them. We believe future improvements in BD modeling techniques, and tools can lead to development of a comprehensive platform that can drive holistic approaches toward better decision‐making in the clinical settings, and thereby help identify novel therapeutic strategies for improved cancer treatment at personalised levels.
Full closed loop open‐source algorithm performance comparison in pigs with diabetes
Authors: Lal Rayhan A. , Maikawa Caitlin L. , Lewis Dana , Baker Sam W. , Smith Anton A. A. , Roth Gillie A. , Gale Emily C. , Stapleton Lyndsay M. , Mann Joseph L. , Yu Anthony C. , Correa Santiago , Grosskopf Abigail K. , Liong Celine S. , Meis Catherine M. , Chan Doreen , Garner Joseph P. , Maahs David M. , Buckingham Bruce A. , Appel Eric A.
Published: May 2021

Understanding how automated insulin delivery (AID) algorithm features impact glucose control under full closed loop delivery represents a critical step toward reducing patient burden by eliminating the need for carbohydrate entries at mealtimes. Here, we use a pig model of diabetes to compare AndroidAPS and Loop open‐source AID systems without meal announcements. Overall time‐in‐range (70–180 mg/dl) for AndroidAPS was 58% ± 5%, while time‐in‐range for Loop was 35% ± 5%. The effect of the algorithms on time‐in‐range differed between meals and overnight. During the overnight monitoring period, pigs had an average time‐in‐range of 90% ± 7% when on AndroidAPS compared to 22% ± 8% on Loop. Time‐in‐hypoglycemia also differed significantly during the lunch meal, whereby pigs running AndroidAPS spent an average of 1.4% (+0.4/−0.8)% in hypoglycemia compared to 10% (+3/−6)% for those using Loop. As algorithm design for closed loop systems continues to develop, the strategies employed in the OpenAPS algorithm (known as oref1) as implemented in AndroidAPS for unannounced meals may result in a better overall control for full closed loop systems.
Negative frequency‐dependent selection maintains shell banding polymorphisms in two marine snails (Littorina fabalis and Littorina saxatilis)
Authors: Estévez Daniel , Galindo Juan , Rolán‐Alvarez Emilio
Published: May 2021

The presence of shell bands is common in gastropods. Both the marine snails Littorina fabalis and Lttorina saxatilis are polymorphic for this trait. Such polymorphism would be expected to be lost by the action of genetic drift or directional selection, but it appears to be widespread at relatively constant frequencies. This suggests it is maintained by balancing selection on the trait or on a genetically linked trait. Using long time series of empirical data, we compared potential effects of genetic drift and negative frequency‐dependent selection (NFDS) in the two species. The contribution of genetic drift to changes in the frequency of bands in L. fabalis was estimated using the effective population size estimated from microsatellite data, while the effect of genetic drift in L. saxatilis was derived from previously published study. Frequency‐dependent selection was assessed by comparing the cross‐product estimator of fitness with the frequency of the polymorphism across years using a regression analysis. Both studied species showed patterns of NFDS. In addition, in L. fabalis, contributions from genetic drift could explain some of the changes in banding frequency. Overdominance and heterogeneous selection did not fit well to our data. The possible biological explanations resulting in the maintenance of the banding polymorphism are discussed.
Illegal harvesting and livestock grazing threaten the endangered orchid Dactylorhiza hatagirea (D. Don) Soó in Nepalese Himalaya
Authors: Chapagain Deep Jyoti , Meilby Henrik , Baniya Chitra Bahadur , Budha‐Magar Shanta , Ghimire Suresh Kumar
Published: May 2021

Harvesting of orchids for medicine and salep production is a traditional practice, and increasing market demand is spurring illegal harvest. Ethno‐ecological studies in combination with the effect of anthropogenic disturbance are lacking for orchids. We compared population density and structure, and tuber biomass of Dactylorhiza hatagirea (D. Don) Soó for three years in two sites: Manang, where harvesting of medicinal plants was locally regulated (protected), and Darchula, where harvesting was locally unregulated (unprotected). Six populations were studied along an elevation gradient by establishing 144 temporary plots (3 × 3 m2) from 3,400 to 4,600 m elevations. Mean density of D. hatagirea was significantly higher in the locally protected (1.31 ± 0.17 plants/m2) than in the unprotected (0.72 ± 0.06 plants/m2) site. The protected site showed stable population density with high reproductive fitness and tuber biomass over the three‐year period. A significant negative effect (p < .1) of relative radiation index (RRI) on the density of the adult vegetative stage and a positive effect of herb cover on juvenile and adult vegetative stages were found using mixed zero‐inflated Poisson (mixed ZIP) models. The densities of different life stages were highly sensitive to harvesting and livestock grazing. Significant interactions between site and harvesting and grazing indicated particularly strong negative effects of these disturbances on densities of juvenile and adult reproductive stages in the unprotected site. Semi‐structured interviews were conducted with informants (n = 186) in the villages and at the ecological survey sites. Our interview results showed that at the protected site people are aware of the conservation status and maintain sustainable populations, whereas the opposite was the case at the unprotected site where the populations are threatened. Sustainability of D. hatagirea populations, therefore, largely depends on controlling illegal and premature harvesting and unregulated livestock grazing, thus indicating the need for permanent monitoring of the species.