bluuebunny/crossref_metadata_2025 huggingface dataset:
More young adults using marijuana than ever before
Authors: Knopf Alison
Published: August 2022

The Monitoring the Future (MTF) study released last week by the National Institute on Drug Abuse (NIDA) found that marijuana use has reached historic highs among young adults ages 19 to 30 years old, with 29% using marijuana in the past 30 days, and 43% using it in the past year; 10.8% used it on a daily or near daily basis (more than 20 days in the past 30 days). The study uses self‐reports; most recent data is from 2021.
Low Concentration Electrolyte Enabling Cryogenic Lithium–Sulfur Batteries
Authors: Chu Fulu , Wang Meng , Liu Jiamin , Guan Zengqiang , Yu Huanyu , Liu Bin , Wu Feixiang
Published: August 2022

Lithium–sulfur chemistry suffers from poor conversion reaction kinetics, causing low‐capacity utilization of sulfur cathodes, particularly at cryogenic temperatures. Herein, based on low‐cost and abundant commercial sulfur particles directly, a low concentration electrolyte (LCE, 0.1 m) is employed to accelerate lithium–sulfur conversion reaction at low temperatures, demonstrating a broad applicability of this approach. Compared to conventional concentration (1.0 m) electrolytes, the proposed LCE successfully enhances conversion kinetics from Li2S4 to Li2S and restrains shuttle effects of polysulfides, resulting in higher capacity utilizations and more stable cycle performance at 0 and −20 °C. Further interfacial chemistry analyses on cycled electrodes reveal that a hybrid surface layer dominated by organic species as well as some favorable inorganics is constructed in the LCE, demonstrating smaller surface layer resistance. In situ EIS measurements at 0 °C and CV tests reveal main differences of electrode kinetics in 0.1 and 1 m electrolytes, further explaining the differences in working mechanism of two electrolytes. These findings elucidate the roles of LCEs on realizing faster kinetics for cryogenic lithium–sulfur batteries and provide a simple, low‐cost, and widely applicable pathway for achieving high‐performance lithium–sulfur batteries under extreme conditions.
Regulating Electronic Conductivity at Cathode Interface for Low‐Temperature Halide‐Based All‐Solid‐State Batteries
Authors: Deng Sixu , Jiang Ming , Chen Ning , Li Weihan , Zheng Matthew , Chen Weifeng , Li Ruying , Huang Huan , Wang Jiantao , Singh Chandra Veer , Sun Xueliang
Published: August 2022

Halide solid‐state batteries (SSBs) show unparalleled application potential because of their outstanding advantages, such as high ionic conductivity and good compatibility with cathodes. However, operating halide SSBs under freezing temperatures faces big challenges, and the underlying degradation mechanisms are unclear. Herein, the impact of electronic conductivity in low‐temperature halide SSBs is investigated by designing different additives in the composite cathode. It is shown that the electrochemical stability of a halide electrolyte (Li3InCl6) with additives is significantly affected by the degree of electronic conductivity as well as the ambient operational temperature. When the ambient temperatures are below freezing point, the moderate electronic conductivity in the composite cathode is beneficial toward improving the charge transfer kinetics without inducing the decomposition of Li3InCl6. The electrode materials (LiCoO2 cathode and Li3InCl6 electrolytes) show excellent structural and interfacial stability during electrochemical reactions, resulting in a competitive performance at low temperatures. Stable long‐term cycling performance with a capacity retention of 89.2% after 300 cycles is achieved along with a C‐rate capacity of 77.6 mAh g–1 (0.6 C) at −10 °C. This in‐depth study investigates the role of electronic conductivity, which opens the door to future research on low‐temperature SSBs.
3D Printed Graphene Piezoresistive Microelectromechanical System Sensors to Explain the Ultrasensitive Wake Tracking of Wavy Seal Whiskers
Authors: Zheng Xingwen , Kamat Amar M. , Krushynska Anastasiia O. , Cao Ming , Kottapalli Ajay Giri Prakash
Published: August 2022

Many marine animals perform fascinating survival hydrodynamics and perceive their surroundings through optimally evolved sensory systems. For instance, phocid seal whiskers have undulations that allow them to resist noisy self‐induced vortex‐induced vibrations (VIV) while locking their vibration frequencies to wakes generated by swimming fishes. In this study, fully 3D‐printed microelectromechanical systems (MEMS) sensors with high gauge factor graphene nanoplatelets piezoresistors are developed to explain the exquisite sensitivity of whisker‐inspired structures to upstream wakes. The sensors are also used to measure natural frequencies of excised harbor (Phoca vitulina) and grey (Halichoerus grypus) seal whiskers and determine the effect of whisker orientation on the VIV, which can explain the possible natural orientation of whiskers during active hunting. Experimental investigations conducted in a recirculating water flume show that whisker‐inspired sensors successfully sense an upstream wake located up to 10× the whisker diameter by locking to the frequency of the wake generator, thus mimicking the sensing mechanism of the seal whisker. The combination of VIV reduction and frequency‐locking with the upstream wake generator demonstrates the whisker‐inspired sensor's high signal‐to‐noise ratio, indicating its efficiency in long‐distance wake sensing as well as its potential as an alternative to visual and acoustic sensors in underwater robots.
Synergetic Chemo‐Piezodynamic Therapy of Osteosarcoma Enabled by Defect‐Driven Lead‐Free Piezoelectrics
Authors: Wang Shidong , Chen Chenglong , Wang Juan , Li Chen‐Bo‐Wen , Zhou Jinling , Liu Yi‐Xuan , Jiang Yu‐Qi , Zhu Lifeng , Li Chao , Gong Wen , Guo Wei , Tang Xiaodong , Yao Fang‐Zhou , Wang Ke
Published: August 2022

Osteosarcoma (OS) is a lethal malignancy of the bone, jeopardizing the life of an enormous population worldwide. There are grand ongoing challenges to improve overall patient survival. Herein, a synergetic chemo‐piezodynamic therapy by defect‐engineered lead‐free piezoelectric (K,Na)NbO3 (KNN) is reported, which can generate reactive oxygen species (ROS) to effectively circumvent OS. Significant anti‐tumor effects in human OS cells, and xenograft OS models are observed that almost stop the growth of the tumors after treatment with KNN because of oxygen vacancies‐driven free radical catalysis (namely, the chemodynamic therapy), and those effects are enhanced after introducing ultrasonic vibration enabled by the ultrasound‐triggered piezocatalysis (piezodynamic therapy). Moreover, it is found that KNN induces apoptosis and autophagy of OS cells and shows good histocompatibility on evaluation in mouse models, which has no killing effect on normal cells and no toxic effects on organs in vivo. Both in vitro cellular level evaluation and in vivo OS xenograft assessment have demonstrated that injectable KNN nanocrystals induce cytotoxicity and tumor eradication by the synergy of chemo‐piezocatalytic effects. This study opens an avenue for customized design of high‐tech nanocatalysts by integrating synergetic catalytic effects for therapeutic applications in tumor healthcare.
A Bilayer Membrane Doped with Struvite Nanowires for Guided Bone Regeneration
Authors: Zhu Yuwei , Zhou Jianpeng , Dai Bingyang , Liu Wei , Wang Jiangpeng , Li Quan , Wang Jun , Zhao Lei , Ngai To
Published: August 2022

Guided bone regeneration (GBR) therapy demonstrates a prominent curative effect on the management of craniomaxillofacial (CMF) bone defects. In this study, a GBR membrane consisting of a microporous layer and a struvite‐nanowire‐doped fibrous layer is constructed via non‐solvent induced phase separation, followed by an electrospinning procedure to treat critical‐sized calvarial defects. The microporous layer shows selective permeability for excluding the rapid‐growing non‐osteogenic tissues and potential wound stabilization. The nanowire‐like struvite is synthesized as the deliverable therapeutic agent within the fibrous layer to facilitate bone regeneration. Such a membrane displays a well‐developed heterogeneous architecture, satisfactory mechanical performance, and long‐lasting characteristics. The in vitro biological evaluation reveals that apart from being a strong barrier, the bilayer struvite‐laden membrane can actively promote cellular adhesion, proliferation, and osteogenic differentiation. Consequently, the multifunctional struvite‐doped membranes are applied to treat 5 mm‐sized bilateral calvarial defects in rats, resulting in overall improved healing outcomes compared with the untreated or the struvite‐free membrane‐treated group, which is characterized by enhanced osteogenesis and significantly increased new bone formation. The encouraging preclinical results reveal the great potential of the bilayer struvite‐doped membrane as a clinical GBR device for augmenting large‐area CMF bone reconstruction.
Realizing a 10 °C Cooling Effect in a Flexible Thermoelectric Cooler Using a Vortex Generator
Authors: Xu Shengduo , Li Meng , Dai Yuchen , Hong Min , Sun Qiang , Lyu Wanyu , Liu Ting , Wang Yuan , Zou Jin , Chen Zhi‐Gang , Dargusch Matthew
Published: August 2022

In this study, flexible thermoelectric coolers (FTECs) are used to develop an alternative personalized cooling technology to achieve a large temperature drop of 10 °C and cooling capacity of 256 W m–2. Such an excellent cooling performance is attributed to the innovative design of the quadra‐layered Ag2Se/poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate structure in FTECs and the induced air vortices by the vortex generator attached to the hot surface of the device. The applied pulse‐width modulation technique guarantees human body comfort at inconsistent ambient temperature by modulating the duty ratio of the power source, which also saves 35% of the power consumption. As a result, the as‐prepared FTECs only consume 68.5 W so as to maintain a comfortable skin temperature (32 ± 0.5 °C) when the ambient temperature is at 31 °C. This technology provides a reliable and adjustable solution for personalized cooling in environments where comfortable temperatures are exceeded.
Phase‐Transitional Bismuth‐Based Metals enable Rapid Embolotherapy, Hyperthermia, and Biomedical Imaging
Authors: Duan Minghui , Zhu Xiyu , Fan Linlin , He Yuanyuan , Yang Chen , Guo Rui , Chen Sen , Sun Xuyang , Liu Jing
Published: August 2022

Embolization has been an important minimally invasive therapy for occlusion of malfunctioned vasculature and tumor treatment via target delivering embolic agents. The limitation of conventional embolic agents, such as fabrication process, precipitation time, invisibility, and lack of integrated functions often leads to insufficient embolization efficacy. To overcome these drawbacks, a multifunctional bismuth (Bi)‐based liquid embolic agent for simultaneous realization of embolotherapy, thermotherapy, as well as high‐contrast biomedical imaging is proposed. Benefitting from the suitable melting point, flexible nature, metallic merit, and easygoing operation via injection, the versatile embolic agent can achieve rapid liquid–solid phase transition, magnetic hyperthermia, and multimodal imaging capability. The Bi‐based materials are demonstrated with excellent arteriovenous embolization efficiency and favorable biocompatibility according to in vivo investigations. Introduction of the liquid embolic agent to tumor arteries achieves evident tumor regression and rather clear imaging under computed tomography (CT), magnetic resonance imaging (MRI), and thermographs for consistently tracking the implants over the biological body. Further, the combined therapy coupled with thermotherapy exhibits improved therapeutic efficiency with formation of necrosis and total tumor eradiation at day 15 after the treatment. The present innovative embolic agent and the surgical principle provide a promising modality for embolization and potential theranostic platform of tumors.
A Silica‐Reinforced Composite Electrolyte with Greatly Enhanced Interfacial Lithium‐Ion Transfer Kinetics for High‐Performance Lithium Metal Batteries
Authors: Zhang Tao , Li Jiafeng , Li Xiaoxuan , Wang Rutao , Wang Chengxiang , Zhang Zhiwei , Yin Longwei
Published: August 2022

Developing quasi‐solid‐state electrolytes with superior ionic conductivity and high mechanical strength is urgently desired to improve the safety and cycling stability of lithium‐metal batteries. Herein, a novel solid‐like electrolyte (SLE) with enhanced Li+ interfacial transfer kinetics is rationally designed by soaking bulk nanostructured silica–polymer composites in liquid electrolytes. Benefiting from the high content of inorganic silica and abundant interfaces for fast Li+‐transport channels, the prepared SLE exhibits superb ionic conductivity and high mechanical strength. Furthermore, fumed silica with a high specific area in the SLE can homogenize Li+ flux and electrical field gradient. More importantly, a Li2S‐rich solid electrolyte interphase (SEI) is constructed on the lithium metal due to the intimate ion coordination in the SLE. Therefore, the lithium‐metal anode exhibits excellent electrochemical performance in symmetric Li–Li cells due to the merits of superior ionic conductivity, high modulus, Li2S‐rich SEI, as well as the homogeneous Li+ flux. Full cells with LiFePO4 cathode can still display a capacity retention of 98% at 0.2 C after 400 cycles. The proposed strategy on quasi‐solid‐state electrolytes provides a promising avenue for next‐generation metal‐based batteries.
Observation of Superconducting Collective Modes from Competing Pairing Instabilities in Single‐Layer NbSe2
Authors: Wan Wen , Dreher Paul , Muñoz‐Segovia Daniel , Harsh Rishav , Guo Haojie , Martínez‐Galera Antonio J. , Guinea Francisco , de Juan Fernando , Ugeda Miguel M.
Published: August 2022

In certain unconventional superconductors with sizable electronic correlations, the availability of closely competing pairing channels leads to characteristic soft collective fluctuations of the order parameters, which leave fingerprints in many observables and allow the phase competition to be scrutinized. Superconducting layered materials, where electron–electron interactions are enhanced with decreasing thickness, are promising candidates to display these correlation effects. In this work, the existence of a soft collective mode in single‐layer NbSe2, observed as a characteristic resonance excitation in high‐resolution tunneling spectra is reported. This resonance is observed along with higher harmonics, its frequency Ω/2Δ is anticorrelated with the local superconducting gap Δ, and its amplitude gradually vanishes by increasing the temperature and upon applying a magnetic field up to the critical values (TC and HC2), which sets an unambiguous link to the superconducting state. Aided by a microscopic model that captures the main experimental observations, this resonance is interpreted as a collective Leggett mode that represents the fluctuation toward a proximate f‐wave triplet state, due to subleading attraction in the triplet channel. These findings demonstrate the fundamental role of correlations in superconducting 2D transition metal dichalcogenides, opening a path toward unconventional superconductivity in simple, scalable, and transferable 2D superconductors.
Highly Stable Doped Barium Niobate Based Electrocatalysts for Effective Electrochemical Coupling of Methane to Ethylene
Authors: Denoyer Luke H. , Benavidez Angelica , Garzon Fernando H. , Ramaiyan Kannan P.
Published: August 2022

Methane conversion into value‐added products such as olefins and aromatics is gaining increased attention in the wake of new natural gas reserve discoveries. Electrochemical oxidative coupling of methane (E‐OCM) provides better product selectivity as the product distribution can be controlled by applied potential as well as the oxide ion flux. Here a new catalyst based on Mg and Fe codoped barium niobate perovskites is reported. The prepared perovskites show excellent chemical stability in CH4‐rich environments up to 925 °C while showing methane activation properties from 600 °C. E‐OCM measurements indicate an ethylene production rate of 277 µmol cm−2 h−1 with a faradaic efficiency of 20% at 1 V and durable operation for six continuous days. X‐ray photoelectron spectroscopic measurements indicate significant Nb valency reorganization that can be the reason for its chemical stability. Nevertheless, the surface area of the catalyst is significantly lower and requires improvements in synthesis methodologies to improve catalytic activity further. The exceptional chemical stability of this perovskite material under methane exposure at high temperatures has significant importance as this material can be used as a catalyst and/or support in a wide variety of applications relevant for efficient energy conversion and storage.
Lignin Nanoparticles as an Interfacial Modulator in Tough and Multi‐Resistant Cellulose–Polycaprolactone Nanocomposites Based on a Pickering Emulsions Strategy
Authors: Kimiaei Erfan , Farooq Muhammad , Grande Rafael , Meinander Kristoffer , Österberg Monika
Published: August 2022

Free‐standing nanocellulosic films (nanopapers) emerge as attractive sustainable materials to replace traditional plastics. However, the moisture sensitivity of cellulose and its poor dispersion in hydrophobic polymers are challenges to its widespread application. Harnessing the inherent properties of cellulose, lignin, and polycaprolactone, a Pickering emulsion approach is proposed to produce multifunctional cellulose nanofibril (CNF) nanocomposite films. Aqueous CNF dispersion is combined with hydrophobic polycaprolactone (PCL) using colloidal lignin nanoparticles (CLPs) as the emulsion stabilizer. CNF–PCL nanocomposite films with over 134% increase in dry strength compared to nanocomposites without CLPs are fabricated. This interfacial engineering strategy results in a CNF‐based nanocomposite with wet strength up to 87 MPa without any chemical modification or crosslinking agents. The mechanism behind the achieved excellent dry and wet strength and water resistance is investigated and it is suggested that it is due to the amphiphilic CLPs that are able to form non‐covalent bonds with both cellulose and PCL, thus binding these together. Furthermore, the nanocomposite films’ protection against UV and oxidation is significantly enhanced by increasing the CLPs content. Our proposed interfacial engineering strategy can be generically applied to other polymer systems and shows a great potential to pave the way toward replacing fossil‐based plastics.
Tunable Full‐Color Vectorial Meta‐Holography
Authors: Wan Weiping , Yang Wenhong , Ye Sheng , Jiang Xiong , Han Yue , Feng Hang , Liu Yilin , Gong Qihuang , Xiao Shumin , Li Yan
Published: August 2022

Vectorial metasurface holograms ar realized through segmenting or interleaving nanostructures to modulate spatial polarization of the reconstructed holography on the imaging plane, but it is still a challenge to achieve full‐color vectorial meta‐holograms with subwavelength meta‐molecules and independent spatial polarization control of reconstructed images. Here, this problem is solved by multiplexing the hologram phase for one circularly polarized light and the conjugated hologram phase for another orthogonal circularly polarized light using only a single nanostructure and then interleaving three kinds of metasurfaces for red, green, and blue light in subwavelength meta‐molecules. By independent control of the phase difference of two overlapped circularly polarized holographic images for each color, the vectorial field on the imaging plane can be freely manipulated at the pixel scale and dynamically changed with the incident polarization. Therefore, the local color and even contrast of the reconstructed full‐color image can be tuned by selecting the incident and output polarization states, demonstrating great potentials in secure optical encryption and dynamic color display.
Usage of Clustering and Weighted Nearest Neighbors for Efficient Missing Data Imputation of Microarray Gene Expression Dataset
Authors: Dubey Aditya , Rasool Akhtar
Published: August 2022

A complete dataset is essential for most bioinformatics analytical techniques, including gene expression data categorization, prognosis, and prediction. Due to sensor malfunction, software inability, or human error, the gene sample value may be missing. In gene expression experiments, missing data has a massive effect on analyzing the data obtained. Consequently, this has become a crucial issue requiring an efficient imputation technique to address. This research provided a technique for predicting missing values by using clustering and top K closest neighbor techniques that consider the local similarity pattern. The K‐means method is integrated with a spectral clustering methodology. After optimizing the clustering parameters, cluster size, and weighting criteria, missed gene sample values are estimated. The top K closest neighbor method uses weighted distance to predict the missed gene sample value falling in a specific cluster. Experimental outcomes show that the suggested imputation methodology generates efficient predictions compared to existing imputation techniques. In this research, microarray datasets comprising information from various cancers and tumors are used to experiment with the imputation performance. The primary contribution of this work is that even if the microarray dataset has varied dimensions and features, local similarity‐based approaches may be employed for missing value prediction.
Nature‐Inspired 3D Spiral Grass Structured Graphene Quantum Dots/MXene Nanohybrids with Exceptional Photothermal‐Driven Pseudo‐Capacitance Improvement
Authors: Chang Peng , Mei Hui , Zhao Yu , Pan Longkai , Zhang Minggang , Wang Xiao , Cheng Laifei , Zhang Litong
Published: August 2022

Solar‐thermal conversion is considered as a green and simple means to improve the performance of energy storage materials, but often limited by the intrinsic photothermal properties of materials and crude structure design. Herein, inspired by the unique light trapping effect of wide leaf spiral grass during photosynthesis, a biomimetic structural photothermal energy storage system is developed, to further promote the solar thermal‐driven pseudo capacitance improvement. In this system, three‐dimensional printed tortional Kelvin cell arrays structure with interesting light trapping property functions as “spiral leaf blades” to improve the efficiency of light absorption, while graphene quantum dots/MXene nanohybrids with wide photothermal response range and strong electrochemical activity serve as “chloroplast” for photothermal conversion and energy storage. As expected, the biomimetic structure‐enhanced photothermal supercapacitor achieves an ideal solar thermal‐driven pseudo capacitance enhancement (up to 304%), an ultrahigh areal capacitance of 10.47 F cm−2, remarkable photothermal response (surface temperature change of 50.1 °C), excellent energy density (1.18 mWh cm−2) and cycling stability (10000 cycles). This work not only offers a novel enhancement strategy for photothermal applications, but also inspires new structure designs for multifunctional energy storage and conversion devices.
Insight Into Heterogeneous Electrocatalyst Design Understanding for the Reduction of Carbon Dioxide
Authors: Zhang Xiaoyan , Zhang Zhen , Li Haibo , Gao Rui , Xiao Meiling , Zhu Jianbing , Feng Ming , Chen Zhongwei
Published: August 2022

The carbon dioxide reduction reaction (CO2RR) is a promising route to convert CO2 into value‐added chemicals and fuels by utilizing renewable electrical energy, mitigating the greenhouse effect and depletion of fossil fuels for sustainability. Electrocatalyst plays a critical role in CO2RR whereas their rational design for achieving high activity, durability, and selectivity toward specific products confronts great challenge. In this review, rational CO2RR electrocatalyst design as well as essential understanding of nanomaterials in atomic‐, nanoscale‐, and microscale‐level are highlighted. Besides, basic concepts and setup factors related to CO2RR are systematically outlined to provide a clear and comprehensive understanding as guidance. More importantly, the authors discuss and try to uncover the electrocatalyst structure–function relationship with the assistance of electrokinetic studies, in situ characterizations, and computational techniques. Finally, current challenges and prospects are offered to shed light on future design of advanced CO2RR electrocatalysts.
Kinetic Resolution of α‐Hydroxyamide via N‐Heterocyclic Carbene‐Catalyzed Acylation
Authors: Yamada Ken‐ichi , Yamauchi Akiho , Fujiwara Tatsuya , Hashimoto Keiji , Wang Yinli , Kuwano Satoru , Inokuma Tsubasa
Published: August 2022

The effect of N‐substituent of α‐hydroxyamides on the performance of chiral N‐heterocyclic carbene‐catalyzed kinetic resolution was examined. N‐tert‐Butyl‐α‐hydroxyamides provided the best performance and underwent enantioselective acylation with α‐bromo aldehyde by chiral N‐heterocyclic carbene/carboxylate anion co‐catalysis to realize kinetic resolution in high selectivity factor up to 128.
Metal‐Free Electrochemical Carboxylation of Organic Halides in the Presence of Catalytic Amounts of an Organomediator
Authors: Wang Yanwei , Zhao Zhiwei , Pan Deng , Wang Siyi , Jia Kangping , Ma Dengke , Yang Guoqing , Xue Xiao‐Song , Qiu Youai
Published: August 2022

Herein, an electroreductive carboxylation of organic carbon‐halogen bonds (X=Br and Cl) promoted by catalytic amounts of naphthalene as an organic mediator is reported. This transformation proceeds smoothly under mild conditions with a broad substrate scope of 59 examples, affording the valuable and versatile carboxylic acids in moderate to excellent yields without the need of costly transition metal, wasted stoichiometric metal reductants, or sacrificial anodes. Further late‐stage carboxylations of natural product and drug derivatives demonstrate its synthetic utility. Mechanistic studies confirmed the activation of carbon‐halogen bonds via single‐electron transfer and the key role of naphthalene in this reaction.
Ion Adsorption and Desorption at the CaF2‐Water Interface Probed by Flow Experiments and Vibrational Spectroscopy
Authors: Ober Patrick , Hunger Johannes , Kolbinger Sophia H. , Backus Ellen H. G. , Bonn Mischa
Published: August 2022

The dissolution of minerals in contact with water plays a crucial role in geochemistry. However, obtaining molecular insight into interfacial chemistry is challenging. Dissolution typically involves the release of ions from the surface, giving rise to a charged mineral surface. This charge affects the interfacial water arrangement, which can be investigated by surface‐specific vibrational Sum Frequency Generation (v‐SFG) spectroscopy. For the fluorite‐water interface, recent spectroscopic studies concluded that fluoride adsorption/desorption determines the surface charge, which contrasts zeta potential measurements assigning this role to the calcium ion. By combining v‐SFG spectroscopy and flow experiments with systematically suppressed dissolution, we uncover the interplay of dominant fluoride and weak calcium adsorption/desorption, resolving the controversy in the literature. We infer the calcium contribution to be orders of magnitude smaller, emphasizing the sensitivity of our approach.
Dietary intake in children on the autism spectrum is altered and linked to differences in autistic traits and sensory processing styles
Authors: Mathew Nisha E. , Mallitt Kylie‐Ann , Masi Anne , Katz Tamarah , Walker Adam K. , Morris Margaret J. , Ooi Chee Y.
Published: August 2022

Diets of children and adolescents on the autism spectrum often differ when compared to their non‐autistic peers. Most dietary studies have been limited by small sample sizes and rarely assess the heterogeneity of autism. Addressing this gap, this study compared the anthropometrics, dietary composition, dietary quality, and food variety of 154 Australian children and adolescents on the spectrum and 213 non‐autistic children (71 siblings and 142 unrelated controls). Beyond the case‐control approach, within‐group comparisons assessed the influence of autism clinical presentations and sensory processing styles on body mass index (BMI) and measures of dietary intake among those on the spectrum. In this word first study of diet that included between‐group comparisons with non‐autistic peers (siblings and an unrelated comparison group) and within‐autism group comparisons, we found that children on the spectrum consumed limited variety and lower quality of food and non‐autistic siblings also ate comparably higher levels of energy‐dense, nutrient poor food, and less diary. This may be due to autistic traits influencing family's diets or shared sensory sensitivities driving dietary intake. Within the autism group, higher autistic traits were associated with lower BMIs and a specific dietary pattern higher in simple carbohydrates and lower in unprocessed protein. Contrastingly, greater sensitivity to sensory stimuli was associated with a healthier diet. Increased age was linked to more varied diets but also diets higher in saturated fats and energy‐dense, nutrient poor foods. Overall, this research highlights that potential mediators of dietary intake, such as familial influences, autistic traits, sensory processing styles, age and sex, need to be considered when assessing diet in the autistic population.

Lay Summary

In this study of dietary differences linked to autism, children, and teenagers on the spectrum ate fewer different foods and were less likely to eat recommended amounts of fruits and vegetables when compared to non‐autistic siblings and unrelated children and teenagers. There were also family differences, in that those on the spectrum and their siblings ate more unhealthy foods and less dairy. Among those on the spectrum, dietary differences were linked to age, sex, autistic traits and sensory processing styles.
Instandsetzung von Tiefgaragen – Wann und warum?
Authors: Valcarcel Juan Mauricio Lozano , Gehlen Christoph , Kränkel Thomas , Schießl‐Pecka Angelika
Published: August 2022

Existierende Modelle zur Bewertung der Dauerhaftigkeit von Stahlbetonbauten erlauben es, den durch den Zuverlässigkeitsindex charakterisierten grenzzustandsbezogenen Zustand des Bauwerks während der Nutzungsdauer zu prognostizieren. Ferner kann ein fester (Grenz‐)Wert für die Zuverlässigkeit definiert werden, der sich auf eine maximal akzeptable Auftretenswahrscheinlichkeit eines ausgewählten (ungewollten) Ereignisses (Grenzzustand) bezieht. Je schlechter der Zustand, desto höher die zu erwartenden Instandsetzungskosten. Gelingt es, die zu erwartenden Instandsetzungskosten in Abhängigkeit vom Zuverlässigkeitsindex zu beschreiben, könnten so Instandsetzungszeitpunkte kostenoptimal festgelegt werden. Daher wurden Gutachten mit umfangreich dokumentierten Inspektionsergebnissen und zugehörigen Kosten durchgeführter Tiefgarageninstandsetzungen analysiert. Hauptursache für die Instandsetzungen war stets chloridinduzierte Bewehrungskorrosion. Es wurden drei Näherungsmethoden zur Abschätzung der Zuverlässigkeit an Stütz‐ und Wandfüßen verwendet und miteinander verglichen. Die so bestimmten Bauteilzuverlässigkeiten wurden dann mit den jeweils real angefallenen Instandsetzungskosten in Beziehung gesetzt. Auf Bauwerksebene konnte zunächst kein eindeutiger Zusammenhang zwischen Zuverlässigkeit und Instandsetzungskosten hergestellt werden. Auf Bauteilebene gelang dies jedoch bei einem Projekt. Dies liefert einen Ausgangspunkt zur kostenoptimierten Festlegung von Instandsetzungszeitpunkten.
Data‐driven based double‐layer bicycle simulation model
Authors: Mao Tianlu , Fang Zhong , Yan Qinyuan , Meng Ruoyu , Liu Shaohua , Wang Zhaoqi
Published: August 2022

Bicycle motion simulation is fundamental to urban transportation planning, virtual reality and other areas. This article proposes a data‐driven based double‐layer bicycle simulation model to consider the cyclist's decision‐making process and the bicycle's kinematic structure. This proposed model consists of two layers, the decision‐making layer and the motion layer. First, the decision‐making layer using machine learning algorithms models the decision‐making process as a regression problem to output the cyclist's decision. Then, the motion layer applies a bicycle kinematics model to output bicycle motion under physical constraints. In addition, a solution to calculate bicycles' dynamic information is proposed for the data‐driven method. Quantitative and qualitative experiments have been conducted, and results show that the double‐layer model and the parameter calculation solution can generate realistic bicycle motion simulations.
Based on UPLC/MS/MS and Bioinformatics Analysis to Explore the Difference Substances and Mechanism of Curcumae Radix (Curcuma wenyujin) in Dysmenorrhea
Authors: Qin Yuwen , Fei Chenghao , Zhang Wei , Su Lianlin , Ji De , Bian Zhenhua , Wang Meng , Li Yu , Mao Chunqin , Zhao Xiaoli , Lu Tulin
Published: August 2022

Background: Curcumae Radix (CW) is traditionally used to treat dysmenorrhea caused by uterine spasm. However, the changes of its composition and anti‐uterine spasms during vinegar processing and the mechanism in treating dysmenorrhea are not clear. Objective: To elucidate the changes of anti‐uterine spasm and its substance basis, and the mechanism of treating dysmenorrhea before and after vinegar processing. Methods: The uterine spasm contraction model was established, and the uterine activity and its inhibition rate were calculated to evaluate the differences. The main chemical constituents of CW were quickly analyzed by UPLC‐Q‐TOF‐MS/MS technology, and the differences between them were explored by multivariate statistical analysis. Then, the regulatory network of “active ingredients‐core targets‐signal pathways” related to dysmenorrhea was constructed by using network pharmacology, and the combination between differential active components and targets was verified by molecular docking. Results: CW extract relaxed the isolated uterine by reducing the contractile tension, amplitude, and frequency. Compared with CW, the inhibitory effect of vinegar products was stronger, and the inhibition rate was 70.08 %. 39 compounds were identified from CW and 13 differential components were screened out (p<0.05). Network pharmacology screened 11 active components and 32 potential targets, involving 10 key pathways related to dysmenorrhea. The results of molecular docking showed that these differentially active components had good binding activity to target. Conclusion: It was preliminarily revealed that CW could treat dysmenorrhea mainly through the regulation of inflammatory reaction, relaxing smooth muscle and endocrine by curcumenone, 13‐hydroxygermacrone, (+)‐cuparene, caryophyllene oxide, zederone, and isocurcumenol.
Design, Synthesis, and Bioactivity of Eighteen Novel 2H‐1,4‐Benzoxazin‐3(4H)‐one Containing a Propanolamine Moiety
Authors: Rao Jia‐Rui , Zhou Yu‐Feng , Zhang Xin , Zhao Xing‐Li
Published: August 2022

To develop a novel skeleton for broad‐spectrum pesticides with high‐efficiency against tea tree diseases, a series of aniline 2H‐1,4‐benzoxazin‐3(4H)‐one derivatives containing a propanolamine structure was synthesized and confirmed by 1H‐NMR, 13C‐NMR, 19F‐NMR, HRMS, and single‐crystal diffraction analysis. Bioactivities were evaluated against tobacco mosaic virus (TMV, the model virus), three kinds of bacteria, and five typical plant fungi. Bioassay results showed that compound 2i (EC50=395.05 μg/mL) had the best curative activity against TMV, 3d (EC50=45.70 μg/mL) had the best inhibitory activity against Pseudomonas syringae pv. Actinidiae, and 3a (EC50=13.53 μg/mL) had the best inhibitory activity against Pestalotiopsis trachicarpicola. Scanning electron microscope morphological observation of P. trachicarpicola treated with 0, 100, and 200 μg/mL 3a revealed dried, flattened and folded outer walls of the hyphae at higher concentrations, leading to inhibition of fungal growth. The broad‐spectrum bioactivities (against viruses, bacteria and fungi) of this series of target compounds indicate that these 2H‐1,4‐benzoxazin‐3(4H)‐one derivatives containing a propanolamine moiety are potential skeletons for developing pesticides with wide‐ranging activities against various tea tree diseases.
Ursane and 24‐Noroleanane‐Type Triterpenoids with Anti‐HIV Activity from the Twigs and Leaves of Antirhea chinensis
Authors: Cui Jiao‐Jiao , Han Ying‐Shan , Zhou Bin , Yue Jian‐Min
Published: August 2022

Investigations on the twigs and leaves of Antirhea chinensis have led to the discovery of two undescribed pentacyclic triterpenoids (1 and 2) and nine known analogs. Compounds 1 and 2, each assigned as the ursane and 24‐noroleanane‐type triterpenoids, featuring similar oxidation pattern of 3β,6β,19α‐trihydroxy‐28‐carboxyl. Their structures were elucidated via comprehensive analyses of spectroscopic data. Compound 1 displayed potent anti‐HIV activity (EC50=1.24 μM) and high selectivity index (SI >32.3).
Identification of apple cultivars hypoallergenic for birch pollen‐allergic individuals by a multidisciplinary in vitro and in vivo approach
Authors: Strobl Maria R. , Vollmann Ute , Eckl‐Dorna Julia , Radakovics Astrid , Ibl Verena , Schnurer Madeleine , Brenner Martin , Dermendjiev Georgi , Weckwerth Wolfram , Neumüller Michael , Frommlet Florian , Demir Hilal , Bublin Merima , Müller Christian , Bohle Barbara
Published: August 2022

Background

Birch pollen‐related apple allergy is the most frequent IgE‐mediated food allergy in Central‐Northern Europe with Mal d 1 as major allergen. Its concentration in apples varies with the cultivar and storage time. Year‐round appealing, hypoallergenic cultivars still are needed to satisfy the nutritional needs of affected individuals. We characterized three promising cultivars by multidisciplinary in vitro assays including long‐term storage and by clinical challenges of allergic individuals before and after the birch pollen season.

Methods

Proteins were extracted from fruits of ‘Santana’, ‘Golden Delicious’ (GD), and three genuine cultivars in November 2018 and April 2019. Mal d 1‐levels were analysed by mass spectrometry, SDS‐PAGE, immunoblotting, competitive ELISA, and basophil activation tests. Twenty‐eight allergic individuals underwent single‐blinded open food challenges and skin testing with the cultivars and birch pollen in November 2018 and May 2019. Allergen‐specific IgE‐levels were determined.

Results

After storage all cultivars except ‘Santana’ were of appealing appearance and taste. Their Mal d 1 content had increased, also reflected by significantly amplified basophil activation and stronger reactions in clinical challenges. Besides, individuals showed boosted reactivity after pollen exposure indicated by enhanced allergen‐specific IgE‐levels and skin reactions to birch pollen. Still, all cultivars remained significantly less allergenic than GD and comparable to Santana in November 2018 in all assessments except for skin testing.

Conclusions

Combined expertise in pomology and allergology identified promising new cultivars for allergic consumers. The evaluation of hypoallergenic apples should incorporate long‐term storage and birch pollen exposure. Basophil activation tests may be suitable in the selection of promising cultivars for oral challenges.
Energetics of Sulfur‐Carbon Interaction
Authors: Coulet Marie‐Vanessa , Gourmellen Loïc , Denoyel Renaud
Published: August 2022

The energetics of sulfur‐carbon interaction are studied using thermo‐desorption and immersion microcalorimetry experiments. Sulfur is incorporated in meso‐ and microporous carbons by impregnation either from the liquid phase or the vapor phase. Varying the temperature of impregnation enables to fill preferentially microporous domains (vapor impregnation) or both micro‐meso‐macro domains (liquid impregnation). The three carbons lead to similar immersion enthalpies per unit area for liquid sulfur. This suggests that they possess similar surface‐liquid interactions and that liquid sulfur, below the polymerization temperature, wets the whole surface accessible to nitrogen.
Metallofullertube: From Tubular Endohedral Structures to Properties
Authors: Li Wang , Wang Chunru , Wang Taishan
Published: August 2022

Metallofullertubes are endohedral metallofullerenes with tubular fullerene cage possessing the segment of carbon nanotubes. Metallofullertubes have endohedral metal atom, fullerene cap and nanotube segment. Therefore, it is conceivable that this new kind of molecular materials would bring on many unexpected properties. In recent years, several pioneer metallofullertubes have been successfully reported, such as La2@D5(450)‐C100, Ce2@D5(450)‐C100, Sm2@D3d(822)‐C104. Apart from the great effort to synthesize molecules and determine their structures, the physical and chemical properties of metallofullertubes are still waiting to be explored. In this minireview, we revisit the structures of reported metallofullertubes, and then we highlight their electronic and supramolecular properties. Finally, some perspectives for the development of metallofullertubes are also discussed.
Bond Strength of a Diatomic Acceptor Ligand: A Reliable Measure of Its Antibond Occupation and Its Charge?
Authors: Popp Jens , Klüfers Peter
Published: August 2022

A nitrosyl ligand is bonded to a central metal mainly via a mostly covalent normal bond and a coordinative metal‐to‐NO π‐backbond. A recent analysis had unravelled similar bonding characteristics of both linear and bent CoNO moieties in terms of ligand charge and antibond occupation. Thus, there should be no justification for the usual assignment of an NO+ ligand to a linear MNO unit and a singlet‐NO− ligand to a bent one. This claim seems to contradict that bending an MNO unit weakens the N−O bond with a marked red‐shift of the N−O stretch as one indicator. In this work, the failure of Dewar‐Chatt‐Duncanson‐derived conclusions is demonstrated for linear/bent isomer couples by the analysis of M−N and N−O bond strengths. Instead of DCD behavior, lateral electrostatic influence on NO and other diatomic ligands modulates the intraligand bond strength in a similar way as has been shown in former work for polar interaction of a charge with CO in the ‘non‐classical’ carbonyls. Methodologically, local‐mode analysis is used to determine bond strengths. Oxidation states are determined by the effective‐oxidation‐state (EOS) method.
Portable Electrochemical Sensing of Indole‐3‐acetic Acid Based on Self‐assembled MXene and Multi‐walled Carbon Nanotubes Composite Modified Screen‐printed Electrode
Authors: Chen Yuxue , Sun Yunxiu , Niu Yanyan , Wang Baoli , Zhang Zejun , Zeng Lina , Li Lin , Sun Wei
Published: August 2022

As a typical plant hormone, indole‐3‐acetic acid (IAA) can regulate the biological activities including division, growth and differentiation of plant cells. In this paper, a MXene and multi‐walled carbon nanotubes composite was prepared by self‐assembly procedure, which was modified on screen‐printed electrode (SPE) to construct a wireless portable electrochemical sensor. Electrochemical investigations of IAA were studied by cyclic voltammetry and an irreversible oxidation process could be observed. The excellent electroanalytical method of IAA was realized on the modified SPE with the detection range as 0.05–125.0 μmol/L and the detection limit as 16.7 nmol/L. The sensor was used for IAA content analysis in different part of pea seedlings with satisfactory results.
Rheology and Structure of Lithium‐Ion Battery Electrode Slurries
Authors: Reynolds Carl D. , Hare Sam D. , Slater Peter R. , Simmons Mark J. H. , Kendrick Emma
Published: August 2022

The rheology of electrode slurries dictates the final coating microstructure. High slurry viscosity creates excess pressure and limits coating speed, elasticity causes instabilities leading to coating defects and high flow causes slumping leading to thin, poorly structured coatings. However, due to differing solvent systems and components, and the complex nature of the many competing interactions, finding the source of these detrimental rheological properties can be difficult. Herein, a systematic rheological characterization of all components of an industrially relevant anode and cathode slurry is presented. Through a combinatory approach, the additive nature of the interactions is explored, using steady shear, small and large amplitude oscillatory shear to give insight into the underlying structure, which is vital to develop novel, more sustainable formulations. For water‐based anodes, the polymeric binder dictates the rheology, thickening the slurry, allowing efficient suspension of the active material particles, which only contribute an increase in viscosity. For N‐methyl pyrrolidine (NMP)‐based cathodes, the conductive additive forms a weakly gelled network in NMP which flows under coating shear. The binder, as well as thickening, also functions to adsorb to active material surfaces, displacing additive and leaving it free to form this network, which is key to the electronic properties of the dried electrode.
The Capacity of Freshwater Ecosystems to Recover from Exceedences of Aquatic Life Criteria
Authors: Mebane Christopher A.
Published: August 2022

In the United States, national chemical water quality criteria for the protection of aquatic life assume that aquatic ecosystems have sufficient resiliency to recover from criteria exceedences occurring up to once every 3 years. This resiliency assumption was critically reviewed through two approaches: (1) synthesis of case studies, and (2) population modeling. The population modeling examined differences in recovery of species with widely different life histories. One invertebrate (Hyalella azteca) and four fish species were modeled (fathead minnow, brook trout, lake trout, and shortnose sturgeon) with various disturbance magnitudes and intervals. The synthesis of ecosystem case studies showed generally faster recoveries for insect communities rather than fish, and recoveries from pulse (acute) disturbances were often faster than recoveries from press (chronic) disturbances. When the recovery dataset excluded severe disturbances that seemed unrepresentative of common facility discharge upsets that might cause criteria exceedences, the median recovery time was 1 year, 81% of the cases were considered recovered within 3 years, and 95% were considered recovered within 10 years. The modeling projected that short-lived fish species with high recovery times could thrive despite enduring 50% mortality disturbances every other year. However, long-lived fish species had longer recovery times and declined under the one disturbance every 3 years scenario. Overall, the analyses did not refute the long-standing judgements that 3 years is generally sufficient for recovery from nonrepetitive, moderate intensity disturbances of a magnitude up to 2× the chronic criteria in waters without other pollution sources or stresses. However, these constraints may not always be met and if long-lived fish species are a concern, longer return intervals such as 5–10 years could be indicated. Environ Toxicol Chem 2022;41:2887–2910. Published 2022. This article is a U.S. Government work and is in the public domain in the USA.