bluuebunny/crossref_metadata_2025 huggingface dataset:
Characterizing shared and distinct symptom clusters in common chronic conditions through natural language processing of nursing notes
Authors: Koleck Theresa A. , Topaz Maxim , Tatonetti Nicholas P. , George Maureen , Miaskowski Christine , Smaldone Arlene , Bakken Suzanne
Published: October 2021

Data‐driven characterization of symptom clusters in chronic conditions is essential for shared cluster detection and physiological mechanism discovery. This study aims to computationally describe symptom documentation from electronic nursing notes and compare symptom clusters among patients diagnosed with four chronic conditions–chronic obstructive pulmonary disease (COPD), heart failure, type 2 diabetes mellitus, and cancer. Nursing notes (N = 504,395; 133,977 patients) were obtained for the 2016 calendar year from a single medical center. We used NimbleMiner, a natural language processing application, to identify the presence of 56 symptoms. We calculated symptom documentation prevalence by note and patient for the corpus. Then, we visually compared documentation for a subset of patients (N = 22,657) diagnosed with COPD (n = 3339), heart failure (n = 6587), diabetes (n = 12,139), and cancer (n = 7269) and conducted multiple correspondence analysis and hierarchical clustering to discover underlying groups of patients who have similar symptom profiles (i.e., symptom clusters) for each condition. As expected, pain was the most frequently documented symptom. All conditions had a group of patients characterized by no symptoms. Shared clusters included cardiovascular symptoms for heart failure and diabetes; pain and other symptoms for COPD, diabetes, and cancer; and a newly‐identified cognitive and neurological symptom cluster for heart failure, diabetes, and cancer. Cancer (gastrointestinal symptoms and fatigue) and COPD (mental health symptoms) each contained a unique cluster. In summary, we report both shared and distinct, as well as established and novel, symptom clusters across chronic conditions. Findings support the use of electronic health record‐derived notes and NLP methods to study symptoms and symptom clusters to advance symptom science.
A New Integral Critic Learning for Optimal Tracking Control with Applications to Boiler‐Turbine Systems
Authors: Wei Qinglai , Liu Yujia , Lu Jingwei , Ling Jun , Luan Zhenhua , Chen Mingliang
Published: October 2021

Optimal control theory and reinforcement learning are gradually being used in the field of industrial control. In this article, a new optimal tracking control scheme for 160 MW boiler‐turbine systems is proposed based on an online policy iteration integral reinforcement learning (IRL) method. Firstly, a self‐learning state tracking control with a cost function is developed to deal with the optimal tracking control problems for the boiler‐turbine nonlinear system. Then with a modified cost function, a policy iteration‐based IRL method is introduced to obtain the optimal control law. Finally, the monotonicity and the convergence of the cost function is analyzed and the detailed implementation of the policy iteration‐based IRL method is provided via neural networks. The simulation results show that the control of the boiler‐turbine system can converge in a short time by using this online iterative method. Through a theoretical simulation case, it can be concluded that the proposed method is more advanced compared with the MPC method.
Synthesis of n‐alkylated quaternary ammonium chitosan and its long‐term antibacterial finish for rabbit hair fabric
Authors: Jiang Yingxue , Zhang Yi , Zhang Hao , Zhu Ruoying , Hu Yanli
Published: October 2021

In this work, n‐alkyl chitosan (N‐CTS) was obtained by alkylation modification of chitosan with n‐butylaldehyde using Schiff alkali method. The etherifying agent 3‐chloro‐2‐hydroxypropyl triethylammonium chloride (CHPTAC‐ethyl) was synthesized from triethylamine and epichlorohydrin. The N‐CTS and CHPTAC‐ethyl were etherized to finally synthesize n‐alkyl quaternary ammonium chitosan (N‐CCTS). Scanning electron microscope, X‐ray diffractometer, Fourier transform infrared, X‐ray photoelectron spectroscopy, and 13CNMR were used to characterize the surface morphology and chemical structure. Viscosity method and spectrophotometry were used to determine its physical and chemical properties. The etherification reaction mechanism was studied systematically and the influence of reaction conditions on the degree of substitution and solubility of N‐CCTS was investigated. The minimum inhibitory concentration (MIC) of N‐CCTS against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) was both 0.15 g/L, which was superior to the MIC value of natural chitosan. N‐CCTS was used to finish rabbit hair fabric with citric acid as cross‐linking agent and sodium hypophosphite as catalyst. The antibacterial and washing resistance of the product were investigated. After 25 times of washing, the antibacterial rate of N‐CCTS against E. coli and S. aureus remained stable at about 90%, and the antibacterial rate was higher than that of N‐CTS and natural chitosan, and it was a kind of natural polymer long‐acting antibacterial finishing agent for rabbit hair fabric.
Fabrication and characterization of piezoresistive flexible pressure sensors based on poly(vinylidene fluoride)/thermoplastic polyurethane filled with carbon black‐polypyrrole
Authors: Bertolini Mayara C. , Dul Sithiprumnea , Lopes Pereira Elaine C. , Soares Bluma G. , Barra Guilherme M. O. , Pegoretti Alessandro
Published: October 2021

Electrically conductive composites of thermoplastic polyurethane (TPU), poly(vinylidene fluoride) (PVDF), and carbon black‐polypyrrole (CB‐PPy) were prepared by melt compounding followed by compression molding or by filament production followed by fused filament fabrication (FFF). The storage modulus (G′) and complex viscosity (η*) of the composites increased with the addition of CB‐PPy leading to a more rigid material. The electrical and rheological percolation threshold of composites were 5 and 3 wt%, respectively. In fact, composites with 5 wt% or more CB‐PPy content display G′ higher than G″ indicating a solid‐like behavior. Furthermore, the addition of CB‐PPy increased the electrical conductivity of all composites. However, the electrical conductivity values of composites containing 5 and 6 wt% of CB‐PPy produced by compression molding are one and seven order of magnitude higher than those of FFF composites with same composition. Compression molded and 3D printed composites with 6 wt% of CB‐PPy displayed high sensitivity/gauge factor, large measurement range and reproducible piezoresistive response during 100 loading‐unloading cycles for both processing methods. The results presented in this study demonstrated the potential use of FFF for producing piezoresistive flexible sensors based on PVDF/TPU/CB‐PPy composites.
Hybridization as an efficient strategy for enhancing the performance of polymer nanocomposites
Authors: Tajdari Ali , Babaei Amir , Goudarzi Alireza , Partovi Razie , Rostami Amir
Published: October 2021

The main objective of this work was to compare the different modes of addition of metal oxide on the desired properties of poly(lactic acid) (PLA) as matrix. In this regard, firstly, zinc oxide nanorods (ZnO) and hybrid nanoparticles of ZnO‐titanium dioxide (TiO2) (called as TZO nano‐hybrid) were synthesized by a simple hydrothermal process and were characterized by means of FE‐SEM, FTIR, and XRD techniques. Afterward, PLA nanocomposites including various amounts of synthesized nanoparticles were fabricated. The results demonstrated a proper nanoparticles dispersion and distribution state in the case of low percentages of inclusion and an elevated aggregation for the higher percentages. But, excellent dispersion with the lowest amount of aggregation was observed for TZO nano‐hybrid in the PLA matrix, which directly affected the physical and mechanical properties and also anti‐bacterial performance of PLA. For example, the tensile strength and Young's modulus of PLA, by incorporation of 7 wt% TZO, increased from 42.5 to 44 MPa and 1325.3 to 1917.5 MPa, respectively. It was also found that the type of morphology of nanoparticles plays a key role in the improvement of these properties. The results of the tests investigated in this study showed that fabrication of TZO nano‐hybrid and its dispersion in the PLA matrix gave the best desirable properties in this polymer compared to the other two dispersion modes (single‐incorporation and simultaneously‐incorporation nanocomposites). These novel nanocomposite films can be considered as a good candidate for the packaging industry.
Strain‐sensing behavior of flexible polypropylene/poly(ethylene‐co‐octene)/multiwalled carbon nanotube nanocomposites under cyclic tensile deformation
Authors: Zhao Zhongguo , Shen Siyang , Li Yapeng , Zhang Xin , Su Juqiao , Li Huan , Ai Taotao , Tang Dahang
Published: October 2021

In this study, the associations between the structural evolution and physical properties of polypropylene/poly(ethylene‐co‐octene)/multiwalled carbon nanotube (PP/POE/MWCNTs) composites were established. The MWCNTs particles preferentially migrating from PP matrix to disperse in POE phase, which contributed to a richer network structure, thus resulting in a significant improvement for electrical conductivity, as well thermal stability, and toughness property with the elongation at break from 300% to 800%. Furthermore, the online strain‐resistance analysis showed that introducing POE phase had a big advantage in improving the recovering resilience and stability of the conductive network structure of PP/POE/MWCNTs composites under a multi‐time circular tensile test with a strain of 5%. It was highlighted that the maximum and minimum electrical conductivity levels of PP/POE composites remained almost constant and even the ratio of the real‐time resistance to the initial one was negative just at the beginning of each circulation regarding the strain stretching and recovery. This was attributed to the oriented conductive network structure of PP/POE nanocomposites induced by the applied strain, thereby increasing the electrical conductivity. Overall, this research provides a basic guidance for preparing composites with ultrahigh flexibility and stability under a circular deformation, which is an essential element taken into consideration for smart sensors with high sensitivity.
Photolysis and thermolysis of (iodomethyl)cyclopropane: Rapid ring opening of cyclopropylcarbinyl via heavy‐atom tunneling?
Authors: Schleif Tim , Sander Wolfram
Published: October 2021

UV photolysis of (iodomethyl)cyclopropane yielded 3‐buten‐1‐yl instead of cyclopropylcarbinyl, the expected product of photolytic C‐I bond cleavage. This result suggests that the ring opening of the intermediate cyclopropylcarbinyl even at T ~10 K proceeds too fast to be measured via this technique. This finding is in agreement with earlier theoretical studies which predicted the rapid decay of cyclopropylcarbinyl via heavy‐atom tunneling. In an attempt to rule out the potential of secondary photochemistry enabling the ring opening, flash vacuum thermolysis experiments were also performed. However, those resulted in butadiene as sole product, in both its thermodynamically favored trans‐ and the higher‐energy gauche‐conformation.
Observed Antibody Space: A diverse database of cleaned, annotated, and translated unpaired and paired antibody sequences
Authors: Olsen Tobias H. , Boyles Fergus , Deane Charlotte M.
Published: October 2021

The antibody repertoires of individuals and groups have been used to explore disease states, understand vaccine responses, and drive therapeutic development. The arrival of B‐cell receptor repertoire sequencing has enabled researchers to get a snapshot of these antibody repertoires, and as more data are generated, increasingly in‐depth studies are possible. However, most publicly available data only exist as raw FASTQ files, making the data hard to access, process, and compare. The Observed Antibody Space (OAS) database was created in 2018 to offer clean, annotated, and translated repertoire data. In this paper, we describe an update to OAS that has been driven by the increasing volume of data and the appearance of paired (VH/VL) sequence data. OAS is now accessible via a new web server, with standardized search parameters and a new sequence‐based search option. The new database provides both nucleotides and amino acids for every sequence, with additional sequence annotations to make the data Minimal Information about Adaptive Immune Receptor Repertoire compliant, and comments on potential problems with the sequence. OAS now contains 25 new studies, including severe acute respiratory syndrome coronavirus 2 data and paired sequencing data. The new database is accessible at http://opig.stats.ox.ac.uk/webapps/oas/, and all data are freely available for download.
Solid phase diversity‐oriented lysine modification of cyclic peptides
Authors: Zhao Rongtong , Shi Xiaodong , Shi Linlin , Zhao Hui , Yin Feng , Li Zigang
Published: October 2021

Herein, we report a novel strategy for diversity‐oriented lysine modification of cyclic peptides based on the orthogonal alkylation of the lysine residues. All steps can be achieved in the solid phase with satisfying conversions. Notably, we demonstrated that the tether modification could help to improve the cellular uptake of peptides.
Blurring the boundaries of home: Community eldercare centres as institutional homes in urban China
Authors: Yu Yi
Published: October 2021

Scholars who study aging in place generally understand home care and community care as distinct but interrelated concepts. They conceptualise home narrowly as a place with defined boundaries that differentiate ‘home’ from ‘unhome’. In this paper, I propose the term ‘institutional home’ to describe a space with fluid boundaries between home and unhome that incorporates aspects of both. Here, ‘home’ is not exclusive to private residential places and homely feelings, but could be constituted outside the private home, with a combination of homely and unhomely feelings. Employing discourse analysis of interviews with older adults and staff, I examine how older adults experience community eldercare centres in China as an institutional home where the practice and meaning of home go beyond one particular space or setting, becoming both home and unhome. This paper contributes to the aging‐in‐place literature by investigating an expanded understanding of home for older adults.
Statistical Correlation Between Quantum Entanglement and Spin–Orbit Coupling in Crossed Beam Molecular Dynamics
Authors: Li Junxu , Sajjan Manas , Kale Sumit Suresh , Kais Sabre
Published: October 2021

Non‐classical features like interference are already being harnessed to control the output of chemical reactions. However, quantum entanglement which is an equally enigmatic many‐body quantum correlation can also be used as a powerful resource yet has eluded explicit attention. In this report, an experimental scheme under the crossed beam molecular dynamical setup, with the F + HD reaction, is proposed aiming to study the possible influence of entanglement within reactant pairs on the angular features of the product distribution. The aforesaid reaction has garnered interest recently, as an unusual horseshoe shape pattern in the product (HF) distribution was observed, which has been attributed to the coupling of spin and orbital degrees of freedom. An experimental scheme is proposed aiming to study the possible influence of entanglement on the necessity for the inclusion of such spin–orbit characteristics, under circumstances wherein the existence of entanglement and spin–orbit interaction is simultaneously detectable. The attainable results are further numerically simulated highlighting specific patterns corresponding to various possibilities. Such studies if extended can provide unforeseen mechanistic insight into analogous reactions, too, from the lens of quantum information.
Integration and appropriability: A study of process and product components within a firm's innovation portfolio
Authors: Toh Puay Khoon , Ahuja Gautam
Published: October 2021

Research Summary

We examine how and when integration of process and product components within a firm's innovation portfolio increases firm returns. Strategy literature argues that integration enhances the firm's appropriation of returns from innovations. We evaluate this argument recognizing that integration is but one of multiple appropriation tools; firms can also use other (e.g., scale‐based) mechanisms to enhance appropriation. Using new measures of integration based on textual coding of patent claims, we demonstrate that while higher process–product integration improves firm performance, this effect diminishes when the firm has greater production capacity or access to markets. Further, high integration lowers innovative productivity. Together, these demonstrations explain why firms, even with awareness of the benefits of integration between components, may not all choose high‐integration strategies.

Managerial Summary

How should a manager design, structure, and organize the firm's innovation portfolio—as a collection of separate standalone process and product innovations, or a set of innovations each containing both new process and product attributes? Using data from the global chemicals industry and new textual‐coding‐based measures, we demonstrate that the latter helps the firm appropriate returns to its innovations by making it harder for others to understand and replicate its innovations, but that it comes with a tradeoff of lower innovative productivity. We stress that latter approach is less useful when the firm has other scale‐based tools in place, that enhance appropriation as well, such as large production capacity or reach to markets.
In Situ Growing BCN Nanotubes on Carbon Fibers for Novel High‐Temperature Supercapacitor with Excellent Cycling Performance
Authors: Liang Zhenyan , Tu Huayao , Shi Dong , Chen Fuzhou , Jiang Hehe , Shao Yongliang , Wu Yongzhong , Hao Xiaopeng
Published: October 2021

Carbon nanomaterials have elicited much research interest in the energy storage field, but most of them cannot be used at high temperatures. Thus, a supercapacitor with high energy and desired stability at high temperatures is urgently required. Herein, BCN nanotubes (BCNNTs) with excellent performance at high temperatures are generated on carbon fibers by optimizing the ratio of B and N. The nanotubes’ morphology can effectively alleviate the structural damage caused by the rapid adsorption/desorption of the electrolyte during long‐time charge/discharge cycles at high temperatures, thus improving the high‐temperature cycle stability. The symmetric supercapacitors that are assembled with the binder‐free BCNNT electrode in 1‐ethyl‐3‐methylimidazolium tetrafluoroborate (EMIM·BF4) exhibited a high areal capacitance of 177.1 mF cm−2 at a current density of 5 mA cm−2, and capacitance retention is maintained up to 86.1% for 5000 cycles at 100 °C. Moreover, the flexible supercapacitor based on BCNNTs in poly(vinylidenefluoride hexafluoropropylene)/EMIM·BF4/succinonitrile gel electrolyte also exhibits good volumetric capacitance (1.98 mWh cm−3 at a current density of 5 mA cm−2) and cycling stability (92.6% retention after 200 charge/discharge cycles) at a temperature of 100 °C. This work shows that binder‐free BCNNTs are promising materials for high‐temperature flexible energy storage devices.
Nucleotide‐Tackified Organohydrogel Electrolyte for Environmentally Self‐Adaptive Flexible Supercapacitor with Robust Electrolyte/Electrode Interface
Authors: Zhang Qin , Hou Xulin , Liu Xin , Xie Xuan , Duan Lijie , Lü Wei , Gao Guanghui
Published: October 2021

Hydrogel electrolytes have attracted enormous attention in flexible and safe supercapacitors. However, the interfacial contact problem between hydrogel electrolyte and electrodes, and the environmental instability are the key factors restricting the development of hydrogel‐based supercapacitors. Here, a nucleotide‐tackified adhesive organohydrogel electrolyte is successfully constructed and exhibits freezing resistance and water‐holding ability based on the water/glycerol binary solvent system. Adenosine monophosphate enables the organohydrogels to possess outstanding adhesion and mechanical robustness. The robust adhesion can ensure close contact between the organohydrogel electrolyte and electrodes for constructing an all‐in‐one supercapacitor with low interfacial contact resistance. Impressively, the integrated organohydrogel‐based supercapacitors display an areal specific capacitance of 163.6 mF cm−2. Besides, the supercapacitors feature prominent environmental stability with capacitance retention of 90.6% after 5000 charging/discharging cycles at −20 °C. Furthermore, based on the strong interfacial adhesion, the supercapacitors present excellent electrochemical stability without delamination/displacement between electrolyte and electrodes even under severe deformations such as bending and twisting. It is anticipated that this work will provide an encouraging way for developing flexible energy storage devices with electrochemical stability and environmental adaptability.
Polymerization‐Induced Helicity Inversion Driven by Stacking Modes and Self‐Assembly Pathway Differentiation
Authors: Cheng Xiaoxiao , Miao Tengfei , Ma Haotian , Zhang Jiandong , Zhang Zhengbiao , Zhang Wei , Zhu Xiulin
Published: October 2021

Regulating the mutual stacking arrangements is of great interest for understanding the origin of chirality at different hierarchical levels in nature. Different from molecular level chirality, the control and manipulation of hierarchical chirality in polymer systems is limited to the use of external factors as the energetically demanding switching stimulus. Herein, the first self‐assembly strategy of polymerization‐induced helicity inversion (PIHI), in which the controlled packing and dynamic stereomutation of azobenzene (Azo) building blocks are realized by in situ polymerization without any external stimulus, is reported. A multiple helicity inversion and intriguing helix–helix transition of polymeric supramolecular nanofibers occurs during polymerization, which is collectively confirmed to be mediated by the transition between functionality‐oriented π–π stacking, H‐, and J‐aggregation. The studies further reveal that helicity inversion proceeds through a delicate interplay of the thermodynamically and kinetically controlled, pathway‐dependent interconversion process, which should provide new insight into the origin and handedness control of helical nanostructures with desired chirality.
Effective Repeatable Mechanoluminescence in Heterostructured Li1−xNaxNbO3: Pr3+
Authors: Yang Xiuxia , Liu Rong , Xu Xuhui , Liu Zhichao , Sun Mingzi , Yan Wei , Peng Dengfeng , Xu Chao‐Nan , Huang Bolong , Tu Dong
Published: October 2021

Mechanoluminescence (ML) is a striking optical phenomenon that is achieved through mechanical to optical energy conversion. Here, a series of Li1−xNaxNbO3: Pr3+ (x = 0, 0.2, 0.5, 0.8, 1.0) ML materials have been developed. In particular, due to the formation of heterostructure, the synthesized Li0.5Na0.5NbO3: Pr3+ effectively couples the trap structures and piezoelectric property to realize the highly repeatable ML performance without traditional preirradiation process. Furthermore, the ML performances measured under sunlight irradiation and preheating confirm that the ML properties of Li0.5Na0.5NbO3: Pr3+ can be ascribed to the dual modes of luminescence mechanism, including both trap‐controllable and self‐recoverable modes. In addition, DFT calculations further confirm that the doping of Na+ ions in LiNbO3 leads to electronic modulations by the formation of the heterostructures, which optimizes the trap distributions and concentrations. These modulations improve the electron transfer efficiency to promote ML performances. This work has supplied significant references for future design and synthesis of efficient ML materials for broad applications.
The Dynamic Interactions between Nanoparticles and Macrophages Impact Their Fate in Brain Tumors
Authors: Feng Qishuai , Xu Xianyun , Wei Chen , Li Yingze , Wang Min , Lv Cheng , Wu Jiaojiao , Dai Yalei , Han Yu , Lesniak Maciej S. , Fan Haiming , Zhang Ling , Cheng Yu
Published: October 2021

Functional nanomaterials such as iron oxide nanoparticles have been extensively explored for the diagnosis and treatment of central nervous system diseases. However, an insufficient understanding of the comprehensive nanomaterial‐biological interactions in the brain hinders the nanomaterials from meeting the medical requirements for translational research. Here, FDA‐approved ferumoxytol, an iron oxide nanoparticle, is chosen as the model nanomaterial for a systematic study of the dynamic interactions between ferumoxytol and immune cells, including microglia and macrophages, in the brain tumors. Strikingly, up to 90% of intratumorally injected ferumoxytol nanoparticles are recognized and phagocytized by tumor‐associated microglia and macrophages. The dynamic trafficking progress of ferumoxytol in microglia and macrophages, including scavenger receptor‐mediated endocytosis, lysosomal internalization, and extracellular vesicle‐dominated excretion, is further studied. Importantly, the results demonstrate that extracellular vesicle‐encapsulated nanoparticles could be gradually eliminated from the brain along with cerebrospinal fluid circulation over 21 days. Moreover, ferumoxytol exhibits no obvious long‐term neurological toxicity after its injection. The study suggests that the dynamic biointeractions of nanoparticles with immune cells in the brain exert a key rate‐limiting impact on the efficiency of targeting tumor cells and their in vivo fate and thus provide a deeper understanding of the nanomaterials in the brain for clinical applications.
Single‐Crystal‐Layered Ni‐Rich Oxide Modified by Phosphate Coating Boosting Interfacial Stability of Li10SnP2S12‐Based All‐Solid‐State Li Batteries
Authors: Li Xiaohua , Jiang Zhao , Cai Dan , Wang Xiuli , Xia Xinhui , Gu Changdong , Tu Jiangping
Published: October 2021

All‐solid‐state lithium batteries (ASSLBs) adopting sulfide electrolytes and high‐voltage layered oxide cathodes have moved into the mainstream owing to their superior safety and immense potential in high energy density. However, the poor electrochemical compatibility between oxide cathodes and sulfide electrolytes remains a challenge for high‐performance ASSLBs. In this study, a nanoscale Li1.4Al0.4Ti1.6(PO4)3 (LATP) phosphate coating is reasonably constructed on the surface of single‐crystal LiNi0.6Co0.2Mn0.2O2 particles to achieve cathode/electrolyte interfacial stability. The conformal LATP layer with inherent high‐voltage stability can effectively suppress the oxidation decomposition of the electrolyte and demonstrate chemical inertness to both the oxide cathode and Li10SnP2S12 electrolyte. ASSLBs with an LATP‐modified cathode exhibited a high initial discharge capacity (152.1 mAh g−1), acceptable rate capability, and superior cycling performance with a capacity retention of 87.6% after 100 cycles at 0.1 C. Interfacial modification is an effective approach for achieving high‐performance sulfide‐based ASSLBs with superior interfacial stability.
Flexible, Self‐Supported Anode for Organic Batteries with a Matched Hierarchical Current Collector System for Boosted Current Density
Authors: Beladi‐Mousavi Seyyed Mohsen , Klein Jonas , Ciobanu Marius , Sadaf Shamaila , Mahmood Arsalan Mado , Walder Lorenz
Published: October 2021

The inherent flexibility of redox‐active organic polymers and carbon‐based fillers, combined with flexible current collectors (CCs) is ideal for the fabrication of flexible batteries. Herein, a one‐step electrophoretic deposition of polyviologen (PV)/graphene‐oxide (GO) aqueous composites onto a flexible mesh of 60 µm thick wires, 100 µm apart, is described. Notably, during electrodeposition, GO is transformed into conductive reduced GO (rGO), and nanoscopic pores are formed by self‐assembly allowing charge/discharge of the redox sites over dozens of micrometers. Typically, electrodeposition of PV alone on a flat CC (FCC) is limited by its electrically insulating structure to ≈0.15 mAh cm−2, but the presence of rGO allows thicker active layers without loss in (dis‐)charging kinetics and reaching areal capacities of ≈2 mAh cm−2. Remarkably, when the FCC is replaced by a mesh, the deposition of significantly more anode materials (≈5 mAh cm−2) is possible, while the (dis‐)charging kinetics is considerably improved. It exhibits high capacity retention at an ultrafast rate of 100 C (<3%) and excellent bending stabilities. This represents the first combination of a microscopic‐CC (mesh wires) with a molecular‐electronic and ‐ionic conductor (rGO with its pores), i.e., a hierarchical‐CC system with maximized polymer thickness and minimized wire thickness. The stacking of such modified grids paves the road to further increase the areal capacity.
Alkylsilyl Fused Ring‐Based Polymer Donor for Non‐Fullerene Solar Cells with Record Open Circuit Voltage and Energy Loss
Authors: Huang Bin , Cheng Yujun , Jin Hui , Liu Jiabin , Huang Xuexiang , Cui Yongjie , Liao Xunfan , Yang Changduk , Ma Zaifei , Chen Lie
Published: October 2021

The energy loss (Eloss), especially the nonradiative recombination loss and energetic disorder, needs to be minimized to improve the device performance with a small voltage (VOC) loss. Urbach energy (EU) of organic photovoltaic materials is related to energetic disorder, which can predict the Eloss of the corresponding device. Herein, a polymer donor (PBDS‐TCl) with Si and Cl functional atoms for organic solar cells (OSCs) is synthesized. It can be found that the VOC and Eloss can be well manipulated by regulation of the energy level of the polymer donor and EU, which is dominated by the morphology. A low energetic disorder with an EU of 23.7 meV, a low driving force of 0.08 eV, and a low Eloss of 0.41 eV are achieved for the PBDS‐TCl:Y6‐based OSCs. Consequently, an impressive open circuit voltage (VOC) of 0.92 V is obtained. To the best of knowledge, the VOC value and Eloss are both the record values for the Y6‐based device. These results demonstrate that fine‐tuning the polymer donor by functional atom modification on the side chain is a promising way to reduce EU and energy loss, as well as obtain small driving force and high VOC for highly efficient OSCs.
Room‐Temperature On‐Spin‐Switching and Tuning in a Porphyrin‐Based Multifunctional Interface
Authors: Sturmeit Henning Maximilian , Cojocariu Iulia , Windischbacher Andreas , Puschnig Peter , Piamonteze Cinthia , Jugovac Matteo , Sala Alessandro , Africh Cristina , Comelli Giovanni , Cossaro Albano , Verdini Alberto , Floreano Luca , Stredansky Matus , Vesselli Erik , Hohner Chantal , Kettner Miroslav , Libuda Jörg , Schneider Claus Michael , Zamborlini Giovanni , Cinchetti Mirko , Feyer Vitaliy
Published: October 2021

Molecular interfaces formed between metals and molecular compounds offer a great potential as building blocks for future opto‐electronics and spintronics devices. Here, a combined theoretical and experimental spectro‐microscopy approach is used to show that the charge transfer occurring at the interface between nickel tetraphenyl porphyrins and copper changes both spin and oxidation states of the Ni ion from [Ni(II), S = 0] to [Ni(I), S = 1/2]. The chemically active Ni(I), even in a buried multilayer system, can be functionalized with nitrogen dioxide, allowing a selective tuning of the electronic properties of the Ni center that is switched to a [Ni(II), S = 1] state. While Ni acts as a reversible spin switch, it is found that the electronic structure of the macrocycle backbone, where the frontier orbitals are mainly localized, remains unaffected. These findings pave the way for using the present porphyrin‐based system as a platform for the realization of multifunctional devices where the magnetism and the optical/transport properties can be controlled simultaneously by independent stimuli.
A Developer Relations (DevRel) model to govern developers in Software Ecosystems
Authors: Fontão Awdren , Cleger‐Tamayo Sergio , Wiese Igor , Pereira dos Santos Rodrigo , Claudio Dias‐Neto Arilo
Published: October 2021

Software Ecosystem (SECO) comprises third‐party developers cooperating and competing when contributing to a platform provided by a central organization (keystone). There are keystones investing in Developer Relations (DevRel) internal team as a global business strategy to attract and engage a critical mass of third‐party developers in producing and evolving contributions. For this reason, the DevRel team should promote social relationships among SECO actors and synergy among keystone' goals and developers' expectations to survive to inherit changes. However, the understanding of DevRel structure and the way DevRel team can act on a SECO to better engage the developers' communities establishing a robust VCN (Value Creation Network) remain a challenge. In this article, we advance on the structure for developers' governance from DevRel by proposing and refining a model because of the following research methods: grey literature review, opinion survey, and interviews. The model is called DevGo (DEVeloper GOVernance) and consists of four focus areas, three developer advancement phases, six stages, enablers, and value transfer objects. In addition, a set of 62 lessons learned from DevRel practitioners is associated with DevGo stages.
Steering on Degrees of Freedom of 2D Van der Waals Heterostructures
Authors: Zhang Hui-Zhen , Wu Wen-Jing , Zhou Lin , Wu Zhen , Zhu Jia
Published: October 2021

2D heterostructures have garnered tremendous attention for potential applications in electronics and optoelectronics. Heterostructures can be constructed by assembling individual atomically thin layers of 2D materials into integrated devices, which involves three primary degrees of freedom (DOFs), i.e., Lego‐like basic building blocks, out‐of‐plane stacking order, and in‐plane twist‐angle alignment. By steering the DOFs of 2D materials, devices and structures such as artificial Shockley junction, quantum wells, and superlattices can be conveniently established based on well‐developed fabrication and/or assembly techniques, beneficial for next‐generation ultracompact information technologies. Herein, the recent progress on constructing the artificial atomic structures by taking advantage of three primary DOFs is overviewed. An outlook of the challenges and future developments is presented as well. Future advancements in the rational construction of complex devices and artificial heterostructures are also suggested.
Review on Microstructural and Ion‐conductivity Properties of Biodegradable Starch‐Based Solid Polymer Electrolyte Membranes
Authors: Koduru Hari Krishna , Marinov Yordan Georgiev , Scaramuzza Nicola
Published: October 2021

Currently, scientific developments in both the academic and industrial research communities are giving much attention towards the development of green chemistry secondary ion batteries with safety attributes. Biodegradable starch polymer‐based electrolyte systems doped with different inorganic salts are gaining much attention owing to their intriguing and non‐toxic nature. In this context, several research approaches have been identified for the improvement of lithium‐ion conductivities at ambient temperatures, thermal and mechanical properties of starch polymer‐based electrolytes. The present review provides consolidated information on chronological developments in the fabrication of different types of starch‐based electrolytes (i.e., pure, blend, plasticized, and nanocomposites) and discusses microstructural, thermal, mechanical, and lithium‐ion conductivity properties given lithium‐ion batteries. Among all types, ionic liquids doped starch‐based electrolytes demonstrated appreciable room temperature Li‐ion conductivities. In parallel, a comparative study on Na+, K+, NH4+, Ag+, and Mg2+– ions conductivities in starch‐based electrolytes is presented to emphasize the further research scope on the development of novel secondary ion batteries in complementing with lithium‐ion batteries.
Development of sustainable concrete incorporating metakaolin and sintered fly ash aggregate
Authors: Patra Surya Narayan , Patra Rakesh Kumar , Mukharjee Bibhuti Bhusan , Jena Sanghamitra
Published: October 2021

The importance of using sintered fly ash aggregates (SFAs) as coarse aggregate and metakaolin (MK) as partial replacement of cement for generating sustainable concrete has been accessed in this research. For this, concrete mixes are designed by replacing 0%, 15%, 30%, and 45% natural coarse aggregates (NCAs) by SFA and incorporating 0%, 10%, 15%, and 20% MK in place ordinary Portland cement (OPC) along with a constant water‐binder ratio (0.42). Workability, compressive, split tensile and flexural strength, and nondestructive parameters and other characteristics (water absorption, volume of voids, and density) of designated mixes are evaluated by performing various experiments in the laboratory. The study demonstrates that significant degradation in concrete behavior has been observed with the use of 45% SFA and 20% MK. However, usage of 30% SFA in place of NCA and 10–15% MK as cement replacement is beneficial in achieving the desired target strength and fulfills other concrete requirements for practical use.
A unified approach for determining the strength of FRC beams subjected to torsion–Part II: Analytical modeling
Authors: Facconi Luca , Amin Ali , Minelli Fausto , Plizzari Giovanni
Published: October 2021

The addition of fibers to structural concrete is an accepted means in academia and practice to traverse tension across cracks. Several international codes of practice contain provisions, which allow a designer to rely on the fibers to resist flexure and shear. However, despite the wider community appreciating that the presence of fibers can significantly increase the capacity of reinforced concrete in resisting torsion, design guidelines are currently unavailable to the practicing engineer. As a result of minimum reinforcement requirements prescribed by codes to prevent excessive torsional cracking in reinforced concrete, a significant underutilization of the fibers is often encountered and this can lead to costly and exorbitant designs. In the accompanying paper, benchmark experimental data were presented on 18 large‐scale fiber‐reinforced concrete (FRC) members subjected to torsion, which clearly identified the beneficial effects of the fibers at all stages of loading. In this study, simplified and advanced mechanically consistent analytical models are developed within the so‐called level of approximation approach (within the framework of current Model Code) to describe the strength of FRC beams loaded in torsion.
Impact of the COVID‐19 pandemic on use of anti‐dementia medications in 34 European and North American countries
Authors: Ju Chengsheng , Lau Wallis C.Y. , Hayes Joseph F. , Osborn David , Man Kenneth K.C. , Chan Esther W. , Wong Ian C.K. , Wei Li
Published: October 2021

Introduction

The impact of the COVID‐19 pandemic on the global use of anti‐dementia medication is unknown. We aimed to determine the changes of anti‐dementia medication use in Europe (EU) and North America (NA) during the pandemic.

Methods

This is a cross‐sectional study using sales data of anti‐dementia medications in 2019 and 2020 from 34 EU and NA countries. The monthly uses of anti‐dementia medications from January through June in 2020 were compared to the corresponding months in 2019 for each country.

Results

In the pre‐pandemic period of January to March 2020, 70 out of 102 (3 months x 34 countries) measurements (68.6%) of monthly sales volume showed an increase. In contrast, 76.5% and 85.3% countries showed reduced sales in April and May 2020, respectively.

Discussion

These findings indicate changes in use of anti‐dementia medications during the pandemic. The delivery of pharmaceutical care for dementia patients may be heavily disrupted in certain countries.
Disclosure of individual research results at federally funded Alzheimer's Disease Research Centers
Authors: Roberts J. Scott , Ferber Rebecca , Blacker Deborah , Rumbaugh Malia , Grill Joshua D. ,   for the Advisory Group on Risk Evidence Education for Dementia (AGREED)
Published: October 2021

Introduction

This study describes practices for disclosing individual research results to participants in Alzheimer's disease research.

Methods

An online survey of clinical core leaders at National Institutes of Health‐funded Alzheimer's Disease Research Centers in the United States (response rate: 30/31, 97%) examined return of results practices across nine different types of research results.

Results

Most centers had returned consensus research diagnoses (83%) and neuropsychological test results (73%), with fewer having shared amyloid positron emission tomography (43%), tau imaging (10%), or apolipoprotein E (APOE) genotype (7%) results. Centers reported having disclosed a mean of 3.1 types of results (standard deviation = 2.1; range 0–8). The most commonly cited reason for disclosure was to inform participants’ medical decision‐making (88%). Disclosure involved multiple professionals and modalities, with neurologists (87%) and in‐person visits (85%) most commonplace.

Discussion

Centers varied widely as to whether and how they disclosed research results. Diagnostic and cognitive test results were more commonly returned than genetic or biomarker results.
Localized Kaluza-Klein 6-brane
Authors: Kimura Tetsuji , Sasaki Shin , Shiozawa Kenta
Published: October 2021

Abstract

We study the membrane wrapping mode corrections to the Kaluza-Klein (KK) 6-brane in eleven dimensions. We examine the localized KK6-brane in the extended space in E7(7) exceptional field theory. In order to discuss the physical origin of the localization in the extended space, we consider a probe M2-brane in eleven dimensions. We show that a three-dimensional $$ \mathcal{N} $$
N
= 4 gauge theory is naturally interpreted as a membrane generalization of the two-dimensional $$ \mathcal{N} $$
N
= (4, 4) gauged linear sigma model for the fundamental string. We point out that the vector field in the $$ \mathcal{N} $$
N
= 4 model is identified as a dual coordinate of the KK6-brane geometry. We find that the BPS vortex in the gauge theory gives rise to the violation of the isometry along the dual direction. We then show that the vortex corrections are regarded as an instanton effect in M-theory induced by the probe M2-brane wrapping around the M-circle.
Intersecting defects in gauge theory, quantum spin chains, and Knizhnik-Zamolodchikov equations
Authors: Jeong Saebyeok , Lee Norton , Nekrasov Nikita
Published: October 2021

Abstract

We propose an interesting BPS/CFT correspondence playground: the correlation function of two intersecting half-BPS surface defects in four-dimensional $$ \mathcal{N} $$
N
= 2 supersymmetric SU(N) gauge theory with 2N fundamental hypermultiplets. We show it satisfies a difference equation, the fractional quantum T-Q relation. Its Fourier transform is the 5-point conformal block of the $$ {\hat{\mathfrak{sl}}}_N $$

sl
̂

N

current algebra with one of the vertex operators corresponding to the N-dimensional $$ {\mathfrak{sl}}_N $$

sl
N

representation, which we demonstrate with the help of the Knizhnik-Zamolodchikov equation. We also identify the correlator with a state of the $$ {XXX}_{{\mathfrak{sl}}_2} $$

XXX

sl
2

spin chain of N Heisenberg-Weyl modules over Y ($$ {\mathfrak{sl}}_2 $$

sl
2

). We discuss the associated quantum Lax operators, and connections to isomonodromic deformations.
Holographic topological defects and local gauge symmetry: clusters of strongly coupled equal-sign vortices
Authors: Li Zhi-Hong , Xia Chuan-Yin , Zeng Hua-Bi , Zhang Hai-Qing
Published: October 2021

Abstract

Gauge invariance plays an important role in forming topological defects. In this work, from the AdS/CFT correspondence, we realize the clusters of equal-sign vortices during the course of critical dynamics of a strongly coupled superconductor. This is the first time to achieve the equal-sign vortex clusters in strongly coupled systems. The appearance of clusters of equal-sign vortices is a typical character of flux trapping mechanism, distinct from Kibble-Zurek mechanism which merely presents vortex-antivortex pair distributions resulting from global symmetry breaking. Numerical results of spatial correlations and net fluxes of the equal-sign vortex clusters quantitatively support the positive correlations between vortices. The linear dependence between the vortex number and the amplitude of magnetic field at the ‘trapping’ time demonstrates the flux trapping mechanism very well.
Dual EFT bootstrap: QCD flux tubes
Authors: Miró Joan Elias , Guerrieri Andrea
Published: October 2021

Abstract

We develop a bootstrap approach to Effective Field Theories (EFTs) based on the concept of duality in optimisation theory. As a first application, we consider the fascinating set of EFTs for confining flux tubes. The outcome of our analysis are optimal bounds on the scattering amplitude of Goldstone excitations of the flux tube, which in turn translate into bounds on the Wilson coefficients of the EFT action. Finally, we comment on how our approach compares to EFT positivity bounds.
Closed sets of finitary functions between products of finite fields of coprime order
Authors: Fioravanti Stefano
Published: October 2021

We investigate the finitary functions from a finite product of finite fields $$\prod _{j =1}^m\mathbb {F}_{q_j} = {\mathbb K}$$

∏

j
=
1

m

F

q
j

=
K

to a finite product of finite fields $$\prod _{i =1}^n\mathbb {F}_{p_i} = {\mathbb {F}}$$

∏

i
=
1

n

F

p
i

=
F

, where $$|{\mathbb K}|$$

|
K
|

and $$|{\mathbb {F}}|$$

|
F
|

are coprime. An $$({\mathbb {F}},{\mathbb K})$$

(
F
,
K
)

-linearly closed clonoid is a subset of these functions which is closed under composition from the right and from the left with linear mappings. We give a characterization of these subsets of functions through the $${\mathbb {F}}_p[{\mathbb K}^{\times }]$$

F
p

[

K

×

]

-submodules of $$\mathbb {F}_p^{{\mathbb K}}$$

F
p
K

, where $${\mathbb K}^{\times }$$

K

×

is the multiplicative monoid of $${\mathbb K}= \prod _{i=1}^m {\mathbb {F}}_{q_i}$$

K
=

∏

i
=
1

m

F

q
i

. Furthermore we prove that each of these subsets of functions is generated by a set of unary functions and we provide an upper bound for the number of distinct $$({\mathbb {F}},{\mathbb K})$$

(
F
,
K
)

-linearly closed clonoids.
Structure–function relationships explain CTCF zinc finger mutation phenotypes in cancer
Authors: Bailey Charles G. , Gupta Shailendra , Metierre Cynthia , Amarasekera Punkaja M. S. , O’Young Patrick , Kyaw Wunna , Laletin Tatyana , Francis Habib , Semaan Crystal , Sharifi Tabar Mehdi , Singh Krishna P. , Mullighan Charles G. , Wolkenhauer Olaf , Schmitz Ulf , Rasko John E. J.
Published: October 2021

CCCTC-binding factor (CTCF) plays fundamental roles in transcriptional regulation and chromatin architecture maintenance. CTCF is also a tumour suppressor frequently mutated in cancer, however, the structural and functional impact of mutations have not been examined. We performed molecular and structural characterisation of five cancer-specific CTCF missense zinc finger (ZF) mutations occurring within key intra- and inter-ZF residues. Functional characterisation of CTCF ZF mutations revealed a complete (L309P, R339W, R377H) or intermediate (R339Q) abrogation as well as an enhancement (G420D) of the anti-proliferative effects of CTCF. DNA binding at select sites was disrupted and transcriptional regulatory activities abrogated. Molecular docking and molecular dynamics confirmed that mutations in residues specifically contacting DNA bases or backbone exhibited loss of DNA binding. However, R339Q and G420D were stabilised by the formation of new primary DNA bonds, contributing to gain-of-function. Our data confirm that a spectrum of loss-, change- and gain-of-function impacts on CTCF zinc fingers are observed in cell growth regulation and gene regulatory activities. Hence, diverse cellular phenotypes of mutant CTCF are clearly explained by examining structure–function relationships.