bluuebunny/crossref_metadata_2025 huggingface dataset:
A novel methodology for the optimization of transmission and dosimetric leaf gap parameters
Authors: DiCostanzo Dominic J. , Ayan Ahmet S.
Published: February 2022

Purpose

Optimization of dosimetric leaf gap (DLG) and transmission is commonly performed through a manual trial and error process, which can lead to sub‐optimal values. The purpose of this work is to create an alternative automated optimization process that provides the optimal DLG and transmission pair for use in a clinical setting.

Methods

Utilizing the treatment planning system application programming interface, a phase space of clinically viable DLG and transmission pairs was generated. The phase space contained 51,051 dose planes for DLGs between 0.0  and 2.5 mm and transmission values between 0.01% and 2.5%. Thirteen plans were measured for multiple multileaf collimator types and nominal beam energies. The optimization minimized the meanγ‐index and maximized theγ‐index pass rate. The optimized values were validated using five plans excluded from the optimization.

Results

Of the nominal beam energies and multileaf collimator system (MLC)‐type combinations tested, 6/7 showed an increase inγ‐index pass rate and a decrease in meanγ‐index signifying better agreement between measurement and calculation. When comparing the optimized DLG and transmission values to the clinically implemented values identified via an iterative method, 5/7 energy, and MLC type combinations showed no statistically significant changes. In addition, the optimized values were benchmarked against three Task Group 119 plans with publishedγ‐index pass rates, which had been held out of the optimization. For those plans, the optimized DLG and transmission values provided the same or betterγ‐index pass rates.

Conclusion

We presented a novel and viable automated alternative to current approaches of selecting the DLG and transmission parameters. This method will reduce the time required to determine the clinically acceptable DLG and transmission parameters and ensure optimality for the plans included in the optimization.
NIAAA calls for nonstigmatizing language in discussing alcohol
Authors: Knopf Alison
Published: February 2022

Alcohol use disorder (AUD) is now the acceptable phrase to describe alcohol problems, in order to avoid stigmatizing patients, according to the National Institute on Alcohol Abuse and Alcoholism (NIAAA).
Reconfigurable Synaptic and Neuronal Functions in a V/VOx/HfWOx/Pt Memristor for Nonpolar Spiking Convolutional Neural Network
Authors: Fu Yaoyao , Zhou Yue , Huang Xiaodi , Dong Boyi , Zhuge Fuwei , Li Yi , He Yuhui , Chai Yang , Miao Xiangshui
Published: February 2022

The fully memristive neural network consisting of the threshold switching (TS) material‐based electronic neurons and resistive switching (RS) one‐based synapses shows the potential for revolutionizing the energy and area efficiency in neuromorphic computing while being confronted with challenges such as reliability and process compatibility between memristive synaptic and neuronal devices. Here, a spiking convolutional neural network (SCNN) is constructed with the forming‐and‐annealing‐free V/VOx/HfWOx/Pt memristive devices. Specifically, both highly reliable RS (endurance >1010, on‐off ratio >103) and TS (endurance >1012) are found in the same device by setting it at RRAM or selector mode with either the HfWOx or naturally oxidized VOx layers dominating the conductance tuning. Such reconfigurability enables the emulation of both synaptic and nonpolar neuronal behaviors within the same device. A V/VOx/HfWOx/Pt‐based hardware system is thus experimentally demonstrated at much simplified process complexity and higher reliability, in which typical neural dynamics including synaptic plasticity and nonpolar neuronal spiking response are imitated. At the network level, a fully memristive SCNN incorporating nonpolar neurons is proposed for the first time. The system level simulation shows competency in pattern recognition with a dramatically reduced hardware consumption, paving the way for implementing fully memristive intelligent systems.
Extra Storage Capacity Enabled by Structural Defects in Pseudocapacitive NbN Monocrystals for High‐Energy Hybrid Supercapacitors
Authors: Zhou Shaowen , Chiang Chao‐Lung , Zhao Jianqing , Cheng Guanjian , Bashir Tariq , Yin Wanjian , Yao Junyi , Yang Shiqi , Li Wanying , Wang Jiaqi , Wang Xinyuan , Lin Yan‐Gu , Gao Lijun
Published: February 2022

Li‐ion hybrid supercapacitors (LHSCs) are intensely studied due to their favorable power densities. However, combined higher energy density materials, particularly anodes, are desirably sought. Herein, a defect‐dominating structure protocol is reported. Specifically, two visible structural defects, i.e., crystal vacancy and lattice distortion have been introduced in situ in ultrafine niobium nitride (NbN) monocrystals that are integrated into a carbon (C) framework. Highly reversible Li‐ion storage capacities up to 540 mAh g−1 are demonstrated in such a NbN@C composite anode, together with excellent rate capability and cycling stability. An extra vacancy‐induced capacity contribution of the defective NbN component is evidenced by first‐principles density functional theory (DFT) simulations in contrast to perfect modeling. Coupling with an activated carbon (AC) cathode, the NbN@C//AC cell can deliver balanced energy and power densities of 53.8 Wh kg−1 and 7818 W kg−1 at 4 A g−1, and retain a desired energy density of 56.1 Wh kg−1 after 10 000 cycles at 1 A g−1. Findings from this study, particularly the demonstrated defects‐induced extra capacity of pseudocapacitive materials, may inspire new structural material designs of LHSCs.
Interparticle Distance Variation in Semiconductor Nanoplatelet Stacks
Authors: Graf Rebecca T. , Schlosser Anja , Zámbó Dániel , Schlenkrich Jakob , Rusch Pascal , Chatterjee Atasi , Pfnür Herbert , Bigall Nadja C.
Published: February 2022

In the large field of research on nanoplatelets (NPLs), their strong tendency to self‐assemble into ordered stacks and the resulting changes in their properties are of great interest. The assembly reveals new characteristics such as the charge carrier transport through the NPL assembly or altered optical properties. In particular, a reduced distance should enhance the charge carrier transport due to higher electronic coupling of neighboring NPLs, and therefore, is the focus of this work. To modify the inter‐particle distances, the straightforward method of ligand exchange is applied. Various CdSe and CdSe/CdX (hetero‐) NPLs serve as building blocks, which not only display different material combinations but also different types of heterostructures. The surface‐to‐surface distance between the stacked NPLs can be reduced to below 1 nm, thus, to less than the half compared to assemblies of pristine NPLs. Moreover, for certain NPLs stacking is only enabled by the ligand exchange. To characterize the ligand exchanges and to investigate the influences of the reduced distances, photo‐electrochemical measurements, fluorescence spectroscopy, energy dispersive X‐ray spectroscopy, nuclear magnetic resonance, and X‐ray photoelectron spectroscopy are performed. It is possible to show higher photocurrents for smaller distances, indicating enhanced charge transport ability within those stacks.
Optimizing frequency and amount of irrigation needed to establish cool‐season turfgrasses
Authors: Serena Matteo , Leinauer Bernhard , Velasco‐Cruz Ciro , Sevostianova Elena
Published: February 2022

Limited information is available on the optimal frequency and amounts of irrigation water needed to establish cool‐season turfgrasses from seed in arid environments. A 2 × 2 factorial study was conducted at New Mexico State University in 2012 and repeated in 2017 to investigate the effect of four irrigation treatments: two reference evapotranspiration (ETo) rates (60 and 120%), and two frequencies (daily and every other day [EOD]) on the establishment of several varieties of Kentucky bluegrass (Poa pratensis L.), perennial ryegrass (Lolium perenne L.), and tall fescue [Schedonorus arundinaceus (Schreb.) Dumort] (TF). Our hypothesis was that irrigation rates below 100% ETo replacement applied EOD would negatively affect turfgrass establishment. Turfgrasses were seeded in the fall and digital image analysis was used to estimate percent coverage. The Area Under the Curve model was used to estimate days after seeding needed to reach 50 (DAS50) and 90% coverage (DAS90). Statistical analysis indicated a significant interaction (p < .0001) between ETo and species and that irrigation frequency did affect establishment. Perennial ryegrass established the fastest and DAS90 was not affected by irrigation treatment. Kentucky bluegrass and TF established faster when irrigated daily at 120% ETo. Varieties within the same species all performed equally. In general, our study suggests that cool‐season turfgrasses can be established in arid regions using water conserving measures such as irrigating EOD at rates below 100% ETo replacement. Further studies are needed to determine lowest ETo replacement levels or irrigation frequency possible to achieve establishment.
Data sharing in biological anthropology
Authors: Mulligan Connie J. , Boyer Doug M. , Turner Trudy R. , Delson Eric , Leonard William R.
Published: February 2022

Open data sharing democratizes science by making data more equitably available throughout the world. Furthermore, open data sharing improves the reproducibility and quality of research and enables new collaborations powered by the freely available data. Open data are defined as data that can be freely used, reused, and redistributed by anyone. For an interdisciplinary field like biological anthropology, data sharing is critical since one person cannot easily collect data across the domains relevant to our field. The goal of this paper is to encourage broader data sharing in our discipline by exploring the state of data sharing in the field of biological anthropology. Our paper is divided into four parts: the first section describes the benefits, challenges, and emerging solutions to open data sharing; the second section presents the results of our data archiving and sharing survey that was completed by over 700 researchers; the third section presents personal experiences of data sharing by the authors; and the fourth section discusses the strengths of different types of data repositories and provides a list of recommended data repositories.
Superstable and Intrinsically Self‐Healing Fibrous Membrane with Bionic Confined Protective Structure for Breathable Electronic Skin
Authors: Zhu Miaomiao , Li Jialu , Yu Jianyong , Li Zhaoling , Ding Bin
Published: February 2022

Considerable effort has been devoted to the fabrication of electronic skin that can imitate the self‐healing and sensing function of biological skin. Almost all self‐healing electronic skins are composed of airtight elastomers or hydrogels, which will cause skin inflammation. Fibrous membranes are ideal materials for preparing highly sensitive breathable electronic skins. However, the development of intrinsically self‐healing fibrous membranes with high stability is still a challenge. Here, a novel interface protective strategy is reported to develop intrinsically self‐healing fibrous membranes with a bionic confined structure for the first time, which were further assembled into an all‐fiber structured electronic skin through interfacial hydrogen bonding. The electronic skin is multifunctional with self‐powering, self‐healing, breathability, stretchability, and thermochromism functionalities, which is highly promising for application in intelligent wearable sensing systems.
Visible Light‐Mediated Dearomative Hydrogen Atom Abstraction/ Cyclization Cascade of Indoles
Authors: Xiong Yang , Großkopf Johannes , Jandl Christian , Bach Thorsten
Published: February 2022

The photochemical synthesis of yet unknown 2‐oxospiro[azetidine‐3,3′‐indolines] (17 examples, 80–95 % yield), 2,4‐dioxospiro[azetidine‐3,3′‐indolines] (eight examples, 87–97 % yield), and 1‐oxo‐1,3‐dihydrospiro[indene‐2,3′‐indolines] (17 examples, 85–97 % yield) is described. Starting from readily accessible 3‐substituted indoles, a dearomatization of the indole core was accomplished upon irradiation at λ=420 nm in the presence of thioxanthen‐9‐one (10 mol%) as the sensitizer. Based on mechanistic evidence (triplet energy determination, deuteration experiments, by‐product analysis) it is proposed that the reaction proceeds by energy transfer via a 1,4‐ or 1,5‐diradical intermediate. The latter intermediates are formed by excited state hydrogen atom transfer from suitable alkyl groups within the C3 substituent to the indole C2 carbon atom. Subsequent ring closure proceeds with pronounced diastereoselectivity to generate a 4‐ or 5‐membered spirocyclic dearomatized product with several options for further functionalization.
Photo‐Reduktion mit NIR‐Licht von Zellkern akkumulierenden PtIV‐Nanopartikeln für eine kombinierte Tumor ausgerichtete Chemotherapie und Photodynamische Immuntherapie
Authors: Wei Dengshuai , Huang Yun , Wang Bin , Ma Lili , Karges Johannes , Xiao Haihua
Published: February 2022

Die Entwicklung von PtIV‐Prodrugs, die in Krebszellen selektiv in ihre therapeutisch wirksamen PtII‐Spezies reduziert werden, hat in den letzten Jahrzehnten zunehmend an Bedeutung gewonnen. Trotz jüngster Fortschritte in der Forschung werden die meisten untersuchten Verbindungen mit ultraviolettem oder blauem Licht angeregt. Da die Eindringtiefe des Lichts bei diesen Wellenlängen gering ist, ist die Behandlung von tiefsitzenden oder großen Tumoren begrenzt. Um diese Einschränkung zu überwinden, wird hier über ein Beispiel von PtIV‐funktionalisierten Nanopartikeln berichtet, die im NIR‐Bereich bei 808 nm angeregt werden können. Das Polymer‐Grundgerüst, das sich selbst zu Nanopartikeln zusammensetzen kann, wurde mit PtIV‐Komplexen für die Chemotherapie, Photosensibilisatoren für die photodynamische Immuntherapie und Kern‐/Krebs suchenden Peptiden funktionalisiert. Bei der Aussetzung zu Licht wird das PtIV‐Zentrum zu PtIIreduziert und die axial koordinierten Liganden freigesetzt, was eine multimodale Behandlung ermöglicht. Die Nanopartikel reichern sich selektiv im Tumorgewebe an und haben in einem Mausmodell einen dreifach‐negativen Brustkrebstumor vernichtet.
Enzyme Catalysis for Reversible Deactivation Radical Polymerization
Authors: Li Ruoyu , Kong Weina , An Zesheng
Published: February 2022

Enzyme catalysis has been increasingly utilized in reversible deactivation radical polymerization (Enz‐RDRP) on account of its mildness, efficiency, and sustainability. In this Minireview we discuss the key roles enzymes play in RDRP, including their ATRPase, initiase, deoxygenation, and photoenzyme activities. We use selected examples to highlight applications of Enz‐RDRP in surface brush fabrication, sensing, polymerization‐induced self‐assembly, and high‐throughput synthesis. We also give our reflections on the challenges and future directions of this emerging area.
Amorphous Boron Carbide on Titanium Dioxide Nanobelt Arrays for High‐Efficiency Electrocatalytic NO Reduction to NH3
Authors: Liang Jie , Liu Pengyu , Li Qinye , Li Tingshuai , Yue Luchao , Luo Yongsong , Liu Qian , Li Na , Tang Bo , Alshehri Abdulmohsen Ali , Shakir Imran , Agboola Philips O. , Sun Chenghua , Sun Xuping
Published: February 2022

Electrocatalytic NO reduction is regarded as an attractive strategy to degrade the NO contaminant into useful NH3, but the lack of efficient and stable electrocatalysts to facilitate such multiple proton‐coupled electron‐transfer processes impedes its applications. Here, we report on developing amorphous B2.6C supported on a TiO2 nanoarray on a Ti plate (a‐B2.6C@TiO2/Ti) as an NH3‐producing nanocatalyst with appreciable activity and durability toward the NO electroreduction. It shows a yield of 3678.6 μg h−1 cm−2 and a FE of 87.6 %, superior to TiO2/Ti (563.5 μg h−1 cm−2, 42.6 %) and a‐B2.6C/Ti (2499.2 μg h−1 cm−2, 85.6 %). An a‐B2.6C@TiO2/Ti‐based Zn−NO battery achieves a power density of 1.7 mW cm−2 with an NH3 yield of 1125 μg h−1 cm−2. An in‐depth understanding of catalytic mechanisms is gained by theoretical calculations.
Zinc‐Promoted ZnMe/ZnPh Exchange in Eight‐Coordinate [Ru(PPh3)2(ZnMe)4H2]
Authors: Sotorrios Lia , Miloserdov Fedor M. , Pécharman Anne‐Frédérique , Lowe John P. , Macgregor Stuart A. , Mahon Mary F. , Whittlesey Michael K.
Published: February 2022

The syntheses, reactivity and electronic structure analyses of [Ru(PPh3)2(ZnMe)4H2], 1 a, and [Ru(PPh3)2(ZnPh)4H2], 2 b, are reported. 1 a exhibits an 8‐coordinate Ru centre with axial phosphines and a symmetrical (2 : 2) arrangement of ZnMe ligands in the equatorial plane. The ZnMe ligands in 1 a undergo facile, sequential exchange with ZnPh2 to give 2 b, which shows a 3 : 1 arrangement of ZnPh ligands. Both 1 a and 2 b exist in equilibrium with their respective 3 : 1 and 2 : 2 isomers. Mechanisms for ZnMe/ZnPh exchange and isomerisation are proposed using DFT calculations. The relationships of these {Ru(ZnR)4H2} species to isoelectronic Group 8 transition metal polyhydrides and related Schlenk equilibria in the Negishi reaction are discussed.
Environmentally Benign Biosynthesis of Hierarchical MOF/Bacterial Cellulose Composite Sponge for Nerve Agent Protection
Authors: Cheung Yuk Ha , Ma Kaikai , Wasson Megan C. , Wang Xingjie , Idrees Karam B. , Islamoglu Timur , Mahle John , Peterson Gregory W. , Xin John H. , Farha Omar K.
Published: February 2022

The fabrication of MOF polymer composite materials enables the practical applications of MOF‐based technology, in particular for protective suits and masks. However, traditional production methods typically require organic solvent for processing which leads to environmental pollution, low‐loading efficiency, poor accessibility, and loss of functionality due to poor solvent resistance properties. For the first time, we have developed a microbial synthesis strategy to prepare a MOF/bacterial cellulose nanofiber composite sponge. The prepared sponge exhibited a hierarchically porous structure, high MOF loading (up to ≈90 %), good solvent resistance, and high catalytic activity for the liquid‐ and solid‐state hydrolysis of nerve agent simulants. Moreover, the MOF/ bacterial cellulose composite sponge reported here showed a nearly 8‐fold enhancement in the protection against an ultra‐toxic nerve agent (GD) in permeability studies as compared to a commercialized adsorptive carbon cloth. The results shown here present an essential step toward the practical application of MOF‐based protective gear against nerve agents.
HMGB1/PTEN/PI3K axis participates in the peripheral immune cell differentiation in two representative TCM syndromes of chronic hepatitis B patients
Authors: Jiang Cen , Li Xia , Liu Chao , Li Guiyu , Zheng Yanfeng , Xie Lushuang , Wu Wenjun , Feng Quansheng
Published: February 2022

Liver depression and spleen deficiency syndrome (LDSDS) and spleen‐gastric damp‐heat syndrome (SGDHS) are two major traditional Chinese medicine syndromes observed in chronic hepatitis B (CHB). Both syndromes exhibit significant differences in the pathogenesis and prognosis, and are closely related to the immune system. However, the underlying mechanisms are largely unknown. This study aimed to explore the immunoregulatory mechanisms of the two syndromes and promote the differentiation precision between the two syndromes. Thirty‐six patients with CHB (18 LDSDS patients and 18 SGDHS patients) and 14 healthy controls were recruited into this study and blood was collected from all the subjects for testing. We studied the contents of T lymphocytes by flow cytometry and the expression levels of HMGB1/PTEN/PI3K axis proteins by enzyme‐linked immunosorbent assay (Elisa). Protein–protein interaction (PPI) networks among HMGB1/PTEN/PI3K axis were constructed for functional enrichment. The correlations between T lymphocytes and proteins were analyzed by constructing multiple regression equations. The results revealed that the CD8+T cells level in the two syndromes were lower than that in healthy controls, and the levels of Th17, Treg cells, and HMGB1, PI3K, PDK1, Akt were higher than those of the healthy controls (p < 0.05). Moreover, the levels of CD4+T, Th17 cells, and HMGB1, PTEN, PI3K in LDSDS were higher than SGDHS (p < 0.05). PPI network indicated that HMGB1/PTEN/PI3K axis participated in T cell activation and liver pathology. Our results revealed that HMGB1/PTEN/PI3K axis may play an important role in regulating the formation of peripheral immune differences between the two syndromes. CD4+T and Th17 are two representative immune cells that may serve as potential biological markers for LDSDS and SGDHS in CHB.
A new radiolocation method for precise depth estimation and its application to the analysis of changes in groundwater levels in Colonia Clunia Sulpicia
Authors: Ayuso N. , Cuesta R. , de la Iglesia M.A. , Cuchí J.A. , Lera F. , Viñals V. , Tuset F. , Villarroel J.L.
Published: February 2022

Underground mapping is of paramount importance at archaeological sites with natural or man‐made caves. Techniques of different complexity are available for underground surveying, from compass and tape to light detection and ranging (LiDAR). However, there are scenarios where it is impossible to use heavy and/or delicate instrumentation, or with some of the more advanced techniques, long‐distance and time‐consuming fieldwork would be required. This is the case of the study of the height of water at key points inside the aquifer located in the subsoil of the Roman city of Colonia Clunia Sulpicia to assess its relation with the evolution of the city. Although subsurface radiolocation, a technique originally intended for cave mapping, seems promising for this application, its accuracy in depth estimation is not sufficient for this purpose. Therefore, the main objectives of this work are to improve the accuracy of depth estimation using radiolocation, to obtain sound data to study changes in water supply in the early centuries of the city and to hypothesize possible causes and probable consequences. Then, this work analyses the sources of error affecting the radiolocation process and develops a new method experimentally validated to improve the depth estimation accuracy. As a result, the depth of key points at Clunia has been accurately measured by radiolocation, where LiDAR or direct measurements from the water level are not possible. Finally, based on the resultant data, a chronology of the city in relation to the aquifer, and vice versa, is outlined. The new radiolocation and calculation procedure proposed in this paper is an improved subsurface location technique that can lead to a significant innovation in archaeological prospection.
Design and Self‐Assembly of Macrocycles with Metals at the Corners Based on Dissymmetric Terpyridine Ligands
Authors: Xu Yaping , Su Haoyue , Bai Qixia , Fang Fang , Ma Jianjun , Zhang Zhe , Hao Xin‐Qi , Shi Junjuan , Wang Pingshan , Wang Ming
Published: February 2022

Terpyridine‐based discrete supramolecular architectures with metal ions at the corners have rarely been reported. Herein, we report two dissymmetric terpyridyl ligands LA and LB decorated at the 5‐position and 4‐position of terpyridine respectively. The complexes constructed by the self‐assembly of LA and LB with Zn(II) exhibit hand‐circle‐like structures. Moreover, all Zn(II) are successfully fixed in the corners. A series of dimeric to hexameric macrocycles is obtained by head‐to‐tail connections with changing concentration. This work will pave the way for preparation of more elaborate self‐assembled structures based on dissymetric ligands.
A highly sensitive PNA‐microarray system for miRNA122 recognition
Authors: Forte Giuseppe , Ventimiglia Giorgio , Pesaturo Massimiliano , Petralia Salvatore
Published: February 2022

Surface chemistry is a fundamental aspect of the development of the sensitive biosensor based on microarray technology. Here, an advanced PNA‐microarray system for the detection of miRNA, composed by a multilayered Si/Al/Agarose component, is described. A straightforward optical signal enhancement is achieved thanks to a combination of the Al film mirror effect and the positive interference for the emission wavelength of the Cy5 fluorescent label tuned by the agarose film. The PNA‐microarray was investigated for the detection of miRNA_122, resulting in a sensitivity of about 1.75 μM–1 and Limit of Detection in the range of 0.043 nM as a function of the capture probe sequence. The contribution, in terms of H‐bonds amounts at 298 and 333 K, of the agarose coating to the dsPNA‐RNA interactions was demonstrated by Molecular Dynamic simulations. These results pave the way for advanced sensing strategies suitable for the environmental monitoring and the public safety.
Inexpensive protein overexpression driven by the NarL transcription activator protein
Authors: Hothersall Joanne , Lai Sandie , Zhang Nan , Godfrey Rita E. , Ruanto Patcharawarin , Bischoff Sarah , Robinson Colin , Overton Tim W. , Busby Stephen J. W. , Browning Douglas F.
Published: February 2022

Most Escherichia coli overexpression vectors used for recombinant protein production (RPP) depend on organic inducers, for example, sugars or simple conjugates. However, these can be expensive and, sometimes, chemically unstable. To simplify this and to cut the cost of RPP, we have developed vectors controlled by the Escherichia coli nitrate‐responsive NarL transcription activator protein, which use nitrate, a cheap, stable, and abundant inorganic ion, to induce high‐level controlled RPP. We show that target proteins, such as green fluorescent protein, human growth hormone, and single‐chain variable region antibody fragments can be expressed to high levels using our promoter systems. As nitrate levels are high in many commercial fertilizers, we demonstrate that controlled RPP can be achieved using readily available and inexpensive garden products.
Circular economy adoption barriers: An extended fuzzy best–worst method using fuzzy DEMATEL and Supermatrix structure
Authors: Govindan Kannan , Nasr Arash Khalili , Karimi Farzane , Mina Hassan
Published: February 2022

In the real world, there are complex decision‐making problems in which a variety of intertwined factors and hierarchical structures exist, and it is difficult or impossible to solve these problems using classical methods. The prioritization of circular economy (CE) adoption barriers is one such complex problem that cannot be solved using current classical methods. Hence, in this paper, for the first time, a new method, namely, FBWDS, is developed. FBWDS derives from the combination of fuzzy best–worst method (BWM), fuzzy decision‐making trial and evaluation laboratory (DEMATEL), and Supermatrix structure. This proposed method establishes weights of the intertwined factors in hierarchical networks under uncertainty; these weighted factors and their interdependencies are calculated using the fuzzy BWM and fuzzy DEMATEL techniques, respectively. In addition, the Supermatrix structure is applied to integrate the results of these two techniques. The proposed approach efficiency is evaluated in the field of the CE adoption barriers using data from a cable and wire industry in Iran. The results showed that “high setup costs,” “financial limitations,” and “absence of public awareness about CE” rank as the most challenging barriers, and “lack of standards for designing recycled products” and “absence of standard system to evaluate performance” are the least important barriers to CE adoption in the cable and wire industry.
Human study on cancer diagnostic probe (CDP) for real‐time excising of breast positive cavity side margins based on tracing hypoxia glycolysis; checking diagnostic accuracy in non‐neoadjuvant cases
Authors: Miripour Zohreh Sadat , Abbasvandi Fereshteh , Aghaee Parisa , Shojaeian Fatemeh , Faramarzpour Mahsa , Mohaghegh Pooneh , Hoseinpour Parisa , Namdar Naser , Hassanpour Amiri Morteza , Ghafari Hadi , Parniani Mohammad , Kaviani Ahmad , Alamdar Sedigheh , NajafiKhoshnoo Sahar , Sanati Hassan , Mapar Mahna , Sadeghian Nastaran , Akbari Mohammad Esmaeil , Yunesian Masud , Abdolahad Mohammad
Published: February 2022

Background

Cancer diagnostic probe (CDP) had been developed to detect involved breast cavity side margins in real‐time (Miripour et al. Bioeng Transl Med. e10236.). Here, we presented the results of the in vivo human model CDP studies on non‐neoadjuvant cases.

Methods

This study is a prospective, blind comparison to a gold standard, and the medical group recruited patients. CDP and frozen data were achieved before the permanent pathology experiment. The main outcome of the study is surgical margin status. From November 2018 to April 2020, 202 patients were registered, and 188 were assigned for the study. Breast‐conserving surgery at any age or gender, re‐surgery due to re‐currency, or involved margins are acceptable. Patients must be non‐neoadjuvant. The reliability of CDP scoring had been evaluated by the pathology of the scored IMs. Then, three models of the study were designed to compare CDP with the frozen sections. Receiver operating characteristic (ROC) curves and AUC were measured based on the permanent postoperative pathology gold standard.

Results

A matched clinical diagnostic categorization between the pathological results of the tested IMs and response peaks of CDP on 113 cases, was reported (sensitivity = 97%, specificity = 89.3%, accuracy = 92%, positive predictive value (PPV) = 84.2%, and negative predictive value (NPV) = 98%). Study A showed the independent ability of CDP for IM scoring (sensitivity = 80%, specificity = 90%, accuracy = 90%, PPV = 22.2%, and NPV = 99.2%). Study B showed the complementary role of CDP to cover the missed lesions of frozen sections (sensitivity = 93.8%, specificity = 91%, accuracy = 91%, PPV = 55.6%, and NPV = 99.2%). Study C showed the ability of CDP in helping the pathologist to reduce his/her frozen miss judgment (specificity = 92%, accuracy = 93%, PPV = 42.1%, and NPV = 100%). Results were reported based on the post‐surgical permanent pathology gold standard.

Conclusion

CDP scoring ability in intra‐operative margin detection was verified on non‐neoadjuvant breast cancer patients. Non‐invasive real‐time diagnosis of IMs with pathological values may make CDP a distinct tool with handheld equipment to increase the prognosis of breast cancer patients.
Blastomycosis‐like pyoderma in an immunocompetent patient
Authors: Sahli Fatma , Litaiem Noureddine , Gara Soumaya , Charfi Olfa , Rammeh Soumaya , Zeglaoui Faten
Published: February 2022

Blastomycosis‐like pyoderma is a rare skin disorder most commonly caused by bacterial infection. It is usually diagnosed in immunocompromised patients. We report a case of BLP in an immunocompetent woman, who presented with a 6‐week history of verrucous cutaneous plaque of the left wrist.
Integrating CdS and Titanium Oxide Clusters with Molecular Redox Catalysts into Metal‐Organic Frameworks Promoting Photocatalytic Efficient H2 Evolution
Authors: Su Wen‐Hui , Wang Feng‐Dong , Rong Yi , Xu Meng‐Yao , Zhang Chen‐Xi , Yang Li‐Bin
Published: February 2022

A new quaternary crystalline catalyst was obtained by a mixed hydrothermal method of integrating inorganic semiconductors, titanium oxide cluster (TOC) and molecular redox centers orderly into metal organic framework (MOF) materials. It shows a hydrogen production rate 3711.53 μmol g−1 h−1 under visible light irradiation, exceeds most of the same type of catalyst reported in recent years, and a favorable stability with. The excellent performance of the CdS/TOC/UiO‐67‐bpy/Co composites due to efficient promotion of photo‐induced carrier separation and migration, and offering abundant active sites for generating hydrogen. This work will help to guide the preparation of new efficient and stable photocatalysts and promote the effective conversion of solar energy to chemical energy.
Hole/Electron Transporting Materials for Nonfullerene Organic Solar Cells
Authors: Xu Xiaopeng , Peng Qiang
Published: February 2022

Nonfullerene acceptor based organic solar cells (NF‐OSCs) have witnessed rapid progress over the past few years owing to the intensive research efforts on novel electron donor and nonfullerene acceptor (NFA) materials, interfacial engineering, and device processing techniques. Interfacial layers including electron transporting layers (ETL) and hole transporting layers (HTLs) are crucially important in the OSCs for facilitating electron and hole extraction from the photoactive blend to the respective electrodes. In this review, the lates progress in both ETLs and HTLs for the currently prevailing NF‐OSCs are discussed, in which the ETLs are summarized from the categories of metal oxides, metal chelates, non‐conjugated electrolytes and conjugated electrolytes, and the HTLs are summarized from the categories of inorganic and organic materials. In addition, some bifunctional interlayer materials served as both ETLs and HTLs are also introduced. Finally, the prospects of ETL/HTL materials for NF‐OSCs are provided.
Syntheses of Anthracene‐Centered Large PAH Diimides and Conjugated Polymers**
Authors: Shi Wenjing , Yang Xiao , Li Xingye , Meng Linghao , Zhang Di , Zhu Ziqi , Xiao Xiao , Zhao Dahui
Published: February 2022

Polycyclic aromatic hydrocarbon (PAH) structures with suitable electron‐withdrawing groups are useful building blocks for developing optical and electron‐transporting materials. Here, we report the application of a double benzannulation process to the syntheses of PAH diimides with enlarged π‐frameworks featuring a central anthracene moiety. The preparations are realized by copper‐catalyzed [4+2] cycloaddition of ethynyl‐substituted aromatic dicarboximide to 2,5‐bis(phenylethynyl)terephthalaldehyde, followed by intramolecular photocyclization or direct arylation via Heck cross coupling. A central symmetric benzo[1,2‐k:4,5‐k′]‐bis(fluoranthene)‐3,4,12,13‐tetracarboxyl diimide (BFDI) is acquired, with the single crystal structure revealing its completely planar polycyclic skeleton. Such a shape‐persistent PAH expectedly exhibits a tendency to stack face‐to‐face and forms J‐aggregates. Moreover, BFDI can be difunctionalized site‐selectively at the reactive 9 and 10 positions of the anthracene unit and then applied to prepare conjugated polymers. When coupled with 1,4‐diketopyrrolo[3,4‐c]‐pyrrole (DPP) via thiophene and dithiophene linkers, two polymers with significantly broadened absorption bands extended to the near‐infrared regime are obtained, evidencing the effective π‐conjugative extension ability of BFDI unit.
2‐Amino‐4‐aryl‐5‐oxo‐4,5‐dihydropyrano[3,2‐c]chromene‐3‐carbonitriles with Microtubule‐Disruptive, Centrosome‐Declustering, and Antiangiogenic Effects in vitro and in vivo
Authors: Köhler Leonhard H. F. , Reich Sebastian , Begemann Gerrit , Schobert Rainer , Biersack Bernhard
Published: February 2022

A series of fifteen 2‐amino‐4‐aryl‐5‐oxo‐4,5‐dihydropyrano[3,2‐c]chromene‐3‐carbonitriles (1 a–o) were synthesized via a three‐component reaction of 4‐hydroxycoumarin, malononitrile, and diversely substituted benzaldehydes or pyridine carbaldehydes. The compounds were tested for anticancer activities against a panel of eight human tumor cell lines. A few derivatives with high antiproliferative activities and different cancer cell specificity were identified and investigated for their modes of action. They led to microtubule disruption, centrosome de‐clustering and G2/M cell cycle arrest in 518 A2 melanoma cells. They also showed anti‐angiogenic effects in vitro and in vivo.
Catalytic Potential of Post‐Transition Metal Doped Graphene‐Based Single‐Atom Catalysts for the CO2 Electroreduction Reaction
Authors: Lambie Stephanie , Low Jian Liang , Gaston Nicola , Paulus Beate
Published: February 2022

Catalysts are required to ensure electrochemical reduction of CO2 to fuels proceeds at industrially acceptable rates and yields. As such, highly active and selective catalysts must be developed. Herein, a density functional theory study of p‐block element and noble metal doped graphene‐based single‐atom catalysts in two defect sites for the electrochemical reduction of CO2 to CO and HCOOH is systematically undertaken. It is found that on all of the systems considered, the thermodynamic product is HCOOH. Pb/C3, Pb/N4 and Sn/C3 are identified as having the lowest overpotential for HCOOH production while Al/C3, Al/N4, Au/C3 and Ga/C3 are identified as having the potential to form higher order products due to the strength of binding of adsorbed HCOOH.
Energy‐efficient resource allocation in heterogeneous networks under different backhaul capacity constraints
Authors: Zheng Handan , Li Li
Published: February 2022

In heterogeneous networks (HetNets), sharply increasing data traffic exacerbates the rapid growth in the network energy consumption and at the same time brings tremendous pressure on the backhaul links. Aiming at improving the network energy efficiency (EE) and relieving backhaul data volume traffic pressure, in this paper, we investigate energy efficient resource allocation which restricts small cell data traffic by imposing different kinds of backhaul capacity constraints (BCCs) on small cells, including small cell BCC (SBCC) and macrocell BCC (MBCC). We formulate the joint resource block (RB) and power allocation problem as a fractional programming problem. By using variable relaxation and replacement, we convert this nonconvex optimization problem into a concave–convex fractional programming problem, which can further be converted into a parametric convex problem and solved by convex optimization theory. Based on the Dinkelbach and dual decomposition methods, we propose iterative resource allocation algorithms under different BCCs, where RB and power are jointly allocated among users in each cell. Numerical results reveal that the proposed algorithms have good convergence performance and also evaluates the impact of both SBCC and MBCC on network performance.
Association of plasma glial fibrillary acidic protein (GFAP) with neuroimaging of Alzheimer's disease and vascular pathology
Authors: Shir Dror , Graff‐Radford Jonathan , Hofrenning Ekaterina I. , Lesnick Timothy G. , Przybelski Scott A. , Lowe Val J. , Knopman David S. , Petersen Ronald C. , Jack Clifford R. , Vemuri Prashanthi , Algeciras‐Schimnich Alicia , Campbell Michelle R. , Stricker Nikki H. , Mielke Michelle M.
Published: February 2022

Introduction: Plasma glial fibrillary acidic protein (GFAP) may be associated with amyloid burden, neurodegeneration, and stroke but its specificity for Alzheimer's disease (AD) in the general population is unclear. We examined associations of plasma GFAP with amyloid and tau positron emission tomography (PET), cortical thickness, white matter hyperintensities (WMH), and cerebral microbleeds (CMBs). Methods: The study included 200 individuals from the Mayo Clinic Study of Aging who underwent amyloid and tau PET and magnetic resonance imaging and had plasma GFAP concurrently assayed; multiple linear regression and hurdle model analyses were used to investigate associations controlling for age and sex. Results: GFAP was associated with amyloid and tau PET in multivariable models. After adjusting for amyloid, the association with tau PET was no longer significant. GFAP was associated with cortical thickness, WMH, and lobar CMBs only among those who were amyloid‐positive. Discussion: This cross‐sectional analysis demonstrates the utility of GFAP as a plasma biomarker for AD‐related pathologies.
Moderating effects of environmental stressors on the development of attention to threat in infancy
Authors: Burris Jessica L. , Reider Lori B. , Oleas Denise S. , Gunther Kelley E. , Buss Kristin A. , Pérez‐Edgar Koraly , Field Andy P. , LoBue Vanessa
Published: February 2022

An attention bias to threat has been linked to psychosocial outcomes across development, including anxiety (Pérez‐Edgar, K., Bar‐Haim, Y., McDermott, J. M., Chronis‐Tuscano, A., Pine, D. S., & Fox, N. A. (2010). Attention biases to threat and behavioral inhibition in early childhood shape adolescent social withdrawal. Emotion (Washington, D.C.), 10(3), 349). Although some attention biases to threat are normative, it remains unclear how these biases diverge into maladaptive patterns of emotion processing for some infants. Here, we examined the relation between household stress, maternal anxiety, and attention bias to threat in a longitudinal sample of infants tested at 4, 8, and 12 months. Infants were presented with a passive viewing eye‐tracking task in which angry, happy, or neutral facial configurations appeared in one of the four corners of a screen. We measured infants’ latency to fixate each target image and collected measures of parental anxiety and daily hassles at each timepoint. Intensity of daily parenting hassles moderated patterns of attention bias to threat in infants over time. Infants exposed to heightened levels of parental hassles became slower to detect angry (but not happy) facial configurations compared with neutral faces between 4 and 12 months of age, regardless of parental anxiety. Our findings highlight the potential impact of the environment on the development of infants’ early threat processing and the need to further investigate how early environmental factors shape the development of infant emotion processing.
Dual‐Functional Organotelluride Additive for Highly Efficient Sulfur Redox Kinetics and Lithium Regulation in Lithium–Sulfur Batteries
Authors: Zhang Wei , Ma Fenfen , Wu Qiang , Zeng Ziqi , Zhong Wei , Cheng Shijie , Chen Xin , Xie Jia
Published: February 2022

High energy density and low cost made lithium–sulfur (Li–S) batteries appealing for the next‐generation energy storage devices. However, their commercial viability is seriously challenged by serious polysulfide shuttle effect, sluggish sulfur kinetics, and uncontrollable dendritic Li growth. Herein, a dual‐functional electrolyte additive, diphenyl ditelluride (DPDTe) is reported for Li–S battery. For sulfur cathodes, DPDTe works as a redox mediator to accelerate redox kinetics of sulfur, in which Te radical‐mediated catalytic cycle at the solid–liquid interface contributes significantly to the whole process. For lithium anodes, DPDTe can react with lithium metal to form a smooth and stable organic–inorganic hybrid solid‐electrolyte interphase (SEI), enabling homogeneous lithium deposition for suppressing dendrite growth. Consequently, the Li–S battery with DPDTe exhibits remarkable cycling stability and superb rate capability, with a high capacity up to 1227.3 mAh g−1 and stable cycling over 300 cycles. Moreover, a Li–S pouch cell with DPDTe is evaluated as the proof of concept. This work demonstrates that organotelluride compounds can be used as functional electrolyte additives and offers new insights and opportunities for practical Li–S batteries.
(Spectro)Electrochemistry of 3‐(Pyrid‐2‐yl)‐s‐Tetrazine‐ and 1,2‐ (Dihydro)pyridazine Tricarbonylrhenium(I)chloride
Authors: Schnierle Marc , Winkler Mario , Filippou Vasileios , van Slageren Joris , Ringenberg Mark R.
Published: February 2022

The electrochemistry and spectroelectrochemistry (SEC) of the three [ReCl(CO)3(N
N)], N
N=3‐(pyrid‐2‐yl)‐1,2,4,5‐tetrazine [1], 3‐(pyrid‐2‐yl)‐4‐ferrocenyl‐4,5‐dihydropyridazine [1H2Fc], and 3‐(pyrid‐2‐yl)‐4‐ferrocenyl‐pyridazine [1Fc], are reported. The ligand's conjugation affects the reduction potentials as well as intramolecular charge transfers observed in the UV‐vis‐NIR spectrum. The spectroscopic observations were further supported by DFT calculations.
Lewis Pair Polymerization of Alkyl Methacrylate by Amidinato Silicon Compounds and Tris(pentafluorophenyl)borane
Authors: Chia Cher‐Chiek , Li Yan , Xiao Longqiang , Yang Ming‐Chung , Su Ming‐Der , So Cheuk‐Wai
Published: February 2022

0.5 mol% of the amidinato disilyne [LSi:]2 (1, L=PhC(NtBu)2) and 1 mol% of B(C6F5)3 cooperatively polymerized methyl methacrylate (MMA) to form poly(MMA) with the H and CH2C(=CH2)COMe end groups (P1, Mn=3.1×103 gmol−1; repeating unit, n=31; polydispersity index, Đ: 1.55). The catalytic mechanism is proposed, where compound 1 could react with MMA and B(C6F5)3 to form a zwitterionic active species [LSi{CH2C(Me)=C(OMe)O}B(C6F5)3]2. The latter could activate MMA molecules affording poly(MMA) chains on the silicon centers. The methyl group of the last enolate of a poly(MMA) chain on a silicon center could then react with the Si−C bond of the adjacent poly(MMA) chain to form P1, as well as regenerate compound 1 and B(C6F5)3. When compound 1 was replaced by the amidinato amidosilylene [LSiN(SiMe3)2] (2), 1 mol% of compound 2 and 1 mol% of B(C6F5)3 mediated living MMA polymerization in toluene to form the poly(MMA) P2 (Mn=1.04×104 gmol−1; Đ: 1.97).
Role of imidazolium cations on the interfacial structure of room‐temperature ionic liquids in contact with Pt(111) electrodes
Authors: Ratschmeier Björn , Braunschweig Björn
Published: February 2022

Room‐temperature ionic liquids (ILs) have gained considerable attention as an important addition to conventional electrolytes because they exhibit large electrochemical windows and can reduce existing overpotentials in electrocatalysis. For the interfacial electrochemistry of ILs, a comprehensive understanding of molecular ions and the resulting electric double‐layer structures as a function of electrode potential is mandatory, but the structures are largely different from conventional electrolytes. For that reason, we have studied the interfaces of Pt(111) in contact with ILs using 1‐butyl‐3‐methylimidazolium [BMIM] and 1‐butyl‐2,3‐dimethylimidazolium [BMMIM] cations as well as bis(trifluoromethylsulfonyl)imide [NTf2] anions. We applied vibrational sum‐frequency generation (SFG), where we interrogate vibrational bands from interfacial cations, anions, as well as interfacial water in situ and under potential control. Structuring of [NTf2] anions and H2O with electrode potential show hysteresis while a strong Stark tuning was absent. This indicates that the IL ions are oriented in the vicinity of the interface, without being directly adsorbed to the Pt(111) surface. Using the C‐H stretching band from CH groups at the imidazolium ring, the ring reorientation with electrode potential was qualitatively determined. The imidazolium ring reorients as a function of potential from a more parallel orientation to an upright orientation with respect to the interfacial plane. This leads to the formation of voids in the layered structure of ions at the interface, which can be then filled with H2O as evidenced by an increased SFG intensity from O‐H stretching modes that are attributable to hydrogen‐bonded interfacial water. Comparing the responses of the ILs, particularly of [BMMIM][NTf2], shows a compact structure and a significantly pronounced rearrangement of the imidazolium ring that can also facilitates better incorporation of H2O and significantly affects the reorientation of [NTf2] anions and, thus, causes a pronounced hysteresis with electrode potential.