bluuebunny/crossref_metadata_2025 huggingface dataset:
Biomimetic Peridontium Patches for Functional Periodontal Regeneration
Authors: Ma Yue , Yang Xueting , Chen Yan , Zhang Jiumeng , Gai Kuo , Chen Jinlong , Huo Fangjun , Guo Qiang , Guo Weihua , Gou Maling , Yang Bo , Tian Weidong
Published: November 2022

The unique structure of the periodontium, including the alveolar bone, cementum, and periodontal ligament (PDL), presents difficulties for the regeneration of its intricate organization. Irreversible structural breakdown of the periodontium increases the risk of tooth loosening and loss. Although the current therapies can restore the periodontal hard tissues to a certain extent, the PDL with its high directionality of multiple groups with different orientations and functions cannot be reconstructed. Here, biomimetic peridontium patches (BPPs) for functional periodontal regeneration using a microscale continuous digital light projection bioprinting method is reported. Orthotopic transplantation in the mandibles shows effective periodontal reconstruction. The resulting bioengineered tissues closely resembles natural periodontium in terms of the “sandwich structures,” especially the correctly oriented fibers, showing different and specific orientation in different regions of the tooth root, which has never been found in previous studies. Furthermore, after the assessment of clinically functional properties it is found that the regenerative periodontium can achieve stable tooth movement under orthodontic migration force with no adverse consequences. Overall, the BPPs promote reconstruction of the functional periodontium and the complex microstructure of the periodontal tissue, providing a proof of principle for the clinical functional treatment of periodontal defects.
Multiplexed Ultrasensitive Sample‐to‐Answer RT‐LAMP Chip for the Identification of SARS‐CoV‐2 and Influenza Viruses
Authors: Song Minsun , Hong SoonGweon , Lee Luke P.
Published: November 2022

Prompt on‐site diagnosis of SARS‐CoV‐2 with other respiratory infections will have minimized the global impact of the COVID‐19 pandemic through rapid, effective management. However, no such multiplex point‐of‐care (POC) chip has satisfied a suitable sensitivity of gold‐standard nucleic acid amplification tests (NAATs). Here, a rapid multiplexed ultrasensitive sample‐to‐answer loop‐mediated isothermal amplification (MUSAL) chip operated by simple LED‐driven photothermal amplification to detect six targets from single‐swab sampling is presented. First, the MUSAL chip allows ultrafast on‐chip sample preparation with ≈500‐fold preconcentration at a rate of 1.2 mL min−1. Second, the chip enables contamination‐free amplification using autonomous target elution into on‐chip reagents by photothermal activation. Finally, the chip accomplishes multiplexed on‐chip diagnostics of SARS‐CoV‐2 and influenza viruses with a limit of detection (LoD) of 0.5 copies µL−1. The rapid, ultrasensitive, cost‐effective sample‐to‐answer chip with a multiplex capability will allow timely management of various pandemics situations that may be faced shortly.
A Gate Programmable van der Waals Metal‐Ferroelectric‐Semiconductor Vertical Heterojunction Memory
Authors: Li Wanying , Guo Yimeng , Luo Zhaoping , Wu Shuhao , Han Bo , Hu Weijin , You Lu , Watanabe Kenji , Taniguchi Takashi , Alava Thomas , Chen Jiezhi , Gao Peng , Li Xiuyan , Wei Zhongming , Wang Lin‐Wang , Liu Yue‐Yang , Zhao Chengxin , Zhan Xuepeng , Han Zheng Vitto , Wang Hanwen
Published: November 2022

Ferroelectricity, one of the keys to realize non‐volatile memories owing to the remanent electric polarization, is an emerging phenomenon in the 2D limit. Yet the demonstrations of van der Waals (vdW) memories using 2D ferroelectric materials as an ingredient are very limited. Especially, gate‐tunable ferroelectric vdW memristive device, which holds promises in future multi‐bit data storage applications, remains challenging. Here, a gate‐programmable multi‐state memory is shown by vertically assembling graphite, CuInP2S6, and MoS2 layers into a metal(M)‐ferroelectric(FE)‐semiconductor(S) architecture. The resulted devices seamlessly integrate the functionality of both FE‐memristor (with ON–OFF ratios exceeding 105 and long‐term retention) and metal‐oxide‐semiconductor field effect transistor (MOS‐FET). Thus, it yields a prototype of gate tunable giant electroresistance with multi‐levelled ON‐states in the FE‐memristor in the vertical vdW assembly. First‐principles calculations further reveal that such behaviors originate from the specific band alignment between the FE‐S interface. Our findings pave the way for the engineering of ferroelectricity‐mediated memories in future implementations of 2D nanoelectronics.
Stretchable Composite Conductive Fibers for Wearables
Authors: Zhang Yue , Zhang Yufan , Zhou Jiahui , Zhang Desuo , Lin Hong , Chen Yuyue , Li Yi , Xiong Jiaqing
Published: November 2022

Fibers and textiles are attractive substrates for constructing wearables, the devices rely on conductive fibers with good stretchability to realize electrical conductivity and mechanical adaptivity. The exploitation of stretchable composite conductive fibers (SCCFs) requires diverse strategies in material options and process methods, tackling the challenge in balancing electrical and mechanical properties for ultrafine fiber, which highly determine the properties and applications. In this article, first the working mechanism and advantages of the SCCFs in wearables is introduced. Second, different conductive fillers as well as their respective incorporation strategies and performance superiorities in fabricating SCCFs are systematically summarized. Third, the integration routes of the conductive fillers in SCCFs are indicated and compared, presenting different fabrication strategies and mechanisms for improving the performance of SCCFs. Thereafter, the typical applications of SCCFs in energy management, sensing, actuators, heaters, and displays are highlighted. Accordingly, the main challenges of SCCFs for wearable applications are indicated, and the possible solutions for challenges tackling are proposed. This review prepared aims to highlight the importance of SCCFs in wearables, and provides insights in terms of mechanism, materials, fabrication, and performance improvement, paving a referable way to promote the innovative exploitation and development of SCCFs, extending the application scenarios.
Developing Next‐Generation Protein‐Based Vaccines Using High‐Affinity Glycan Ligand‐Decorated Glyconanoparticles
Authors: Gao Yanan , Wang Wei , Yang Yunru , Zhao Qingyu , Yang Chendong , Jia Xiaoying , Liu Yang , Zhou Minmin , Zeng Weihong , Huang Xuefei , Chiu Sandra , Jin Tengchuan , Wu Xuanjun
Published: November 2022

Major diseases, such as cancer and COVID‐19, are frightening global health problems, and sustained action is necessary to develop vaccines. Here, for the first time, ethoxy acetalated dextran nanoparticles (Ace‐Dex‐NPs) are functionalized with 9‐N‐(4H‐thieno[3,2‐c]chromene‐2‐carbamoyl)‐Siaα2−3Galβ1−4GlcNAc (TCCSia‐LacNAc) targeting macrophages as a universal vaccine design platform. First, azide‐containing oxidized Ace‐Dex‐NPs are synthesized. After the NPs are conjugated with ovalbumin (OVA) and resiquimod (Rd), they are coupled to TCCSia‐LacNAc‐DBCO to produce TCCSia‐Ace‐Dex‐OVA‐Rd, which induce a potent, long‐lasting OVA‐specific cytotoxic T‐lymphocyte (CTL) response and high anti‐OVA IgG, providing mice with superior protection against tumors. Next, this strategy is exploited to develop vaccines against infection by severe acute respiratory syndrome coronavirus‐2 (SARS‐CoV‐2). The receptor‐binding domain (RBD) of the SARS‐CoV‐2 spike protein is the main target for neutralizing antibodies. The TCCSia‐Ace‐Dex platform is preferentially used for designing an RBD‐based vaccine. Strikingly, the synthetic TCCSia‐Ace‐Dex‐RBD‐Rd elicited potent RBD‐neutralizing antibodies against live SARS‐CoV‐2 infected Vero E6 cells. To develop a universal SARS‐CoV‐2 vaccine, the TCCSia‐Ace‐Dex‐N‐Rd vaccine carrying SARS‐CoV‐2 nucleocapsid protein (N) is also prepared, which is highly conserved among SARS‐CoV‐2 and its variants of concern (VOCs), including Omicron (BA.1 to BA.5); this vaccine can trigger strong N‐specific CTL responses against target cells infected with SARS‐CoV‐2 and its VOCs.
Coordinating Anions “to the Rescue” of the Lithium Ion Mobility in Ternary Solid Polymer Electrolytes Plasticized With Ionic Liquids
Authors: Hoffknecht Jan‐Philipp , Wettstein Alina , Atik Jaschar , Krause Christian , Thienenkamp Johannes , Brunklaus Gunther , Winter Martin , Diddens Diddo , Heuer Andreas , Paillard Elie
Published: November 2022

Lithium salts with low coordinating anions such as bis(trifluoromethanesulfonyl)imide (TFSI) have been the state‐of‐the‐art for polyethylene oxide (PEO)‐based “dry” polymer electrolytes for 3 decades. Plasticizing PEO with TFSI‐based ionic liquids (ILs) to form ternary solid polymer electrolytes (TSPEs) increases conductivity and Li+ diffusivity. However, the Li+ transport mechanism is unaffected compared to their “dry” counterparts and is essentially coupled to the dynamics of the polymer host matrix, which limits Li+ transport improvement. Thus, a paradigm shift is hereby suggested: the utilization of more coordinating anions such as trifluoromethanesulfonyl‐N‐cyanoamide (TFSAM), able to compete with PEO for Li+ solvation, to accelerate the Li+ transport and reach a higher Li+ transference number. The Li–TFSAM interaction in binary and ternary TFSAM‐based electrolytes is probed by experimental methods and discussed in the context of recent computational results. In PEO‐based TSPEs, TFSAM drastically accelerates the Li+ transport (increases Li+ transference number by a factor 6 and the Li+ conductivity by 2–3) and computer simulations reveal that lithium dynamics are effectively re‐coupled from polymer to anion dynamics. Last, this concept of coordinating anions in TSPEs is successfully applied in LFP||Li metal cells leading to enhanced capacity retention (86% after 300 cycles) and an improved rate performance at 2C.
Air Instability of Ni‐Rich Layered Oxides–A Roadblock to Large Scale Application
Authors: Zhang Wujiu , Yuan Chuhan , Zhu Jifu , Jin Ting , Shen Chao , Xie Keyu
Published: November 2022

Benefiting from the excellent lithium ions diffusion kinetics and considerable discharge specific capacity, Ni‐rich layered oxides have become the preferred selection cathode active materials (CAMs) for high energy density Li‐ion batteries. However, due to the distinctive electronic structure of nickel ions (Ni2+/3+/4+) and the strict criteria for sintering conditions, the Ni‐rich CAMs inherently suffer from notorious deterioration when in contact with the ambient air. This review provides a comprehensive and critical overview of air instability for Ni‐rich CAMs, a neglected but critical issue for large‐scale application. The fundamental understanding of derivation of air instability and characterizations is first given, followed by a discussion of evolution behaviors and the corresponding negative influence on fabricating properties of electrodes and electrochemical/safety performance of batteries. Afterward, various material modification strategies for improving air storage stability including pre‐treatment by doping and coating and post‐treatment by gas, wash, and heat are overviewed. Finally, some perspectives for further exploration to address the air instability issue and pave ways toward Ni‐rich CAMs’ practical applications are also proposed.
A cross‐sectional analysis of the demand for coffee in the United States
Authors: Capps Oral , Cheng Muxi , Kee Jennifer , Priestley Samuel L.
Published: November 2022

The purposes of this study were to develop a profile of households who purchase coffee, to determine the socioeconomic determinants of the demand for coffee by US households, and to update the own‐price, cross‐price, and income elasticities of demand for US households. The profile suggests to targeting wealthier households, households without children living in the household, older households, white households, and households located in the Pacific region and in New England. The own‐price elasticity of −1.93 indicates that the demand for at‐home purchases of coffee is elastic. Tea is a substitute for coffee. Given the income elasticity of 0.20, changes in household income are not likely to have sizeable impacts on at‐home coffee consumption. Nevertheless, coffee is a necessity in economic parlance. The source of data for this analysis was the NielsenIQ pertaining to 61,380 households for calendar year 2015. [EconLit Citations: D1, D9, D12].
Occupational health surveillance and detection of emerging occupational diseases among Taiwan farmers, through analysis of national‐based farmers' and medico‐administrative databases
Authors: Wang Chung‐Ching , Lin Gwan‐Ling , Lin Yu‐Jen , Chen Wei‐Liang , Wu Wei‐Te
Published: November 2022

Objectives

The purpose of this study was to identify occupational injuries and diseases associated with agriculture in Asia, to provide a reference for prevention and hypotheses for future research.

Methods

We matched data on agricultural workers (n = 963,124) enrolled in Taiwan's national Farmers Health Insurance since its inception in 1989, to general population controls of the same age, gender, and township. The study population was linked to the National Health Insurance Research Database from 2001 to 2016 for inpatient cases. Logistic regression was used to assess odds ratios for outcomes.

Results

Farmers had 2.76 times the risk of mycotic corneal ulcer (95% CI: 1.96–3.87) and 1.65 times the risk of typhus fever infections (95% CI: 1.47–1.85) compared to the general population. The odds ratio for poisonous animal bites was 2.22 (95% CI: 2.07–2.38), for falling into a storm drain or manhole was 2.04 (95% CI: 1.30–3.20), and for toxic effects from pesticides was 2.01 (95% CI: 1.92–2.11). The toxic effects of organophosphate and carbamate insecticides were correlated with the cultivation of rice, fruit trees, and flowers. Q fever and motorcycle accidents were associated with fruit tree cultivation.

Conclusions

The study identifies agricultural occupational injuries and diseases that may inform occupational health policy and the development of prevention priorities to prevent occupational hazards for farmers.
Bioconjugation via Hetero‐Selective Clamping of Two Different Amines withortho‐Phthalaldehyde
Authors: Chu Xin , Li Bo , Liu Hao‐Yang , Sun Xiaowei , Yang Xiaochen , He Gang , Zhou Chuanzheng , Xuan Weimin , Liu Shu‐Lin , Chen Gong
Published: November 2022

Amino groups are common in both natural and synthetic compounds and offer a very attractive class of endogenous handles for bioconjugation. However, the ability to differentiate two types of amino groups and join them with high hetero‐selectivity and efficiency in a complex setting remains elusive. Herein, we report a new method for bioconjugation via one‐pot chemoselective clamping of two different amine nucleophiles using a simpleortho‐phthalaldehyde (OPA) reagent. Various α‐amino acids, aryl amines, and secondary amines can be crosslinked to the ϵ‐amino side chain of lysine on peptides or proteins with high efficiency and hetero‐selectivity. This method offers a simple and powerful means to crosslink small molecule drugs, imaging probes, peptides, proteins, carbohydrates, and even virus particles without any pre‐functionalization.
Inlaying Bismuth Nanoparticles on Graphene Nanosheets by Chemical Bond for Ultralong‐Lifespan Aqueous Sodium Storage
Authors: Zhu Haojie , Wang Fangcheng , Peng Lu , Qin Tingting , Kang Feiyu , Yang Cheng
Published: November 2022

Rechargeable aqueous sodium ion batteries (ASIBs) are rising as an important alternative to lithium ion batteries, owing to their safety and low cost. Metal anodes show a high theoretical capacity and nonselective hydrated ion insertion for ASIBs, yet their large volume expansion and sluggish reaction kinetics resulted in poor electrochemical stability. Herein, we demonstrate an electrode cyclability enhancement mechanism by inlaying bismuth (Bi) nanoparticles on graphene nanosheets through chemical bond, which is achieved by a unique laser induced compounding method. This anchored metal‐graphene heterostructure can effectively mitigate volume variation, and accelerate the kinetic capability as the active Bi can be exposed to the electrolyte. Our method can achieve a reversible capacity of 122 mAh g−1 at a large current density of 4 A g−1 for over 9500 cycles. This finding offers a desirable structural design of other metal anodes for aqueous energy storage systems.
Tuning Mass Transport in Electrocatalysis Down to Sub‐5 nm through Nanoscale Grade Separation
Authors: Liu Zhenhui , Du Yue , Yu Ruohan , Zheng Mingbo , Hu Rui , Wu Jingsong , Xia Yongyao , Zhuang Zechao , Wang Dingsheng
Published: November 2022

Nano and single‐atom catalysis open new possibilities of producing green hydrogen (H2) by water electrolysis. However, for the hydrogen evolution reaction (HER) which occurs at a characteristic reaction rate proportional to the potential, the fast generation of H2nanobubbles at atomic‐scale interfaces often leads to the blockage of active sites. Herein, a nanoscale grade‐separation strategy is proposed to tackle mass‐transport problem by utilizing ordered three‐dimensional (3d) interconnected sub‐5 nm pores. The results reveal that 3dcriss‐crossing mesopores with grade separation allow efficient diffusion of H2bubbles along the interconnected channels. After the support of ultrafine ruthenium (Ru), the 3dmesopores are on a superior level to two‐dimensional system at maximizing the catalyst performance and the obtained Ru catalyst outperforms most of the other HER catalysts. This work provides a potential route to fine‐tuning few‐nanometer mass transport during water electrolysis.
17O Hyperfine Spectroscopy Reveals Hydration Structure of Nitroxide Radicals in Aqueous Solutions
Authors: Hecker Fabian , Fries Lisa , Hiller Markus , Chiesa Mario , Bennati Marina
Published: November 2022

The hydration structure of nitroxide radicals in aqueous solutions is elucidated by advanced17O hyperfine (hf) spectroscopy with support of quantum chemical calculations and MD simulations. A piperidine and a pyrrolidine‐based nitroxide radical are compared and show clear differences in the preferred directionality of H‐bond formation. We demonstrate that these scenarios are best represented in17O hf spectra, where in‐plane coordination over‐type H‐bonding leads to little spin density transfer on the water oxygen and small hf couplings, whereas‐type perpendicular coordination generates much larger hf couplings. Quantitative analysis of the spectra based on MD simulations and DFT predicted hf parameters is consistent with a distribution of close solvating water molecules, in which directionality is influenced by subtle steric effects of the ring and the methyl group substituents.
Neutralisation der Auswirkungen des Virulenzfaktors LecA aus Pseudomonas aeruginosa auf Humanzellen durch neue glykomimetische Inhibitoren
Authors: Zahorska Eva , Rosato Francesca , Stober Kai , Kuhaudomlarp Sakonwan , Meiers Joscha , Hauck Dirk , Reith Dorina , Gillon Emilie , Rox Katharina , Imberty Anne , Römer Winfried , Titz Alexander
Published: November 2022

Die beiden tetravalenten Lektine LecA und LecB des ESKAPE‐Erregers Pseudomonas aeruginosa sind notwendig für dessen bakterielle Adhäsion, Biofilmbildung und Invasion in Wirtszellen. Sie gelten daher als Ansatzpunkte zur medikamentösen antiinfektiösen Therapie. Vor kurzem berichteten wir über hochwirksame divalente Galaktoside als spezifische LecA‐Inhibitoren. Diese litten jedoch unter einer sehr geringen Löslichkeit und einer intrinsischen chemischen Instabilität aufgrund zweier Acylhydrazon‐Motive, was weitere biologische Untersuchungen ausschloss. Hier haben wir jene Acylhydrazone bioisoster ersetzt und systematisch die Identität und Länge des Linkers zwischen den beiden für die LecA‐Bindung erforderlichen Galaktosiden variiert. Die optimierten divalenten LecA‐Liganden waren nun deutlich stabiler und bis zu 1000‐fach löslicher. Dies ermöglichte nun ihre biologische Charakterisierung: Die Leitsubstanz L2 hemmte in vitro die Bindung von LecA an Lungenepithelzellen, stellte den Wundverschluss im Zellkulturmodell wieder her und verringerte die Invasion von P. aeruginosa in Wirtszellen.
Direct Visualization of Atomic Structure in Multivariate Metal‐Organic Frameworks (MOFs) for Guiding Electrocatalysts Design
Authors: Sun Dengrong , Wong Lok Wing , Wong Hok Yin , Lai Ka Hei , Ye Lin , Xv Xinyao , Ly Thuc Hue , Deng Qingming , Zhao Jiong
Published: November 2022

The direct utilization of metal–organic frameworks (MOFs) for electrocatalytic oxygen evolution reaction (OER) has attracted increasing interests. Herein, we employ the low‐dose integrated differential phase contrast‐scanning transmission electron microscopy (iDPC‐STEM) technique to visualize the atomic structure of multivariate MOFs (MTV‐MOFs) for guiding the structural design of bulk MOFs for efficient OER. The iDPC‐STEM images revealed that incorporating Fe3+ or 2‐aminoterephthalate (ATA) into Ni‐BDC (BDC: benzenedicarboxylate) can introduce inhomogeneous lattice strain that weaken the coordination bonds, which can be selectively cleaved via a mild heat treatment to simultaneously generate coordinatively unsaturated metal sites, conductive Ni@C and hierarchical porous structure. Thus, excellent OER activity with current densities of 10 and 100 mA cm−2 are achieved over the defective MOFs at small overpotentials of 286 mV and 365 mV, respectively, which is superior to the commercial RuO2 catalyst and most of the bulk MOFs.
Palladium‐Catalyzed Branch‐ and Z‐Selective Allylic C−H Amination with Aromatic Amines
Authors: Liu Rui , Shen Meng‐Lan , Fan Lian‐Feng , Zhou Xiao‐Le , Wang Pu‐Sheng , Gong Liu‐Zhu
Published: November 2022

Allylamines are important building blocks in the synthesis of bioactive compounds. The direct coupling of allylic C−H bonds and commonly available amines is a major synthetic challenge. An allylic C−H amination of 1,4‐dienes has been accomplished by palladium catalysis. With aromatic amines, branch‐selective allylic aminations are favored to generate thermodynamically unstable Z‐allylamines. In addition, more basic aliphatic cyclic amines can also engage in the reaction, but linear dienyl allylic amines are the major products.
Self‐Assembled Peptidyl Aggregates for the Fluorogenic Recognition of Mitochondrial DNA G‐Quadruplexes
Authors: Pandith Anup , Luo Yongyang , Jang Yul , Bae Jeehyeon , Kim Youngmi
Published: November 2022

The selective monitoring of G‐quadruplex (G4) structures in living cells is important to elucidate their functions and reveal their value as diagnostic or therapeutic targets. Here we report a fluorogenic probe (CV2) able to selectively light‐up parallel G4 DNA over antiparallel topologies. CV2 was constructed by conjugating the excimer‐forming CV dye with a peptide sequence (l‐Arg‐l‐Gly‐glutaric acid) that specifically recognizes G4s. CV2 forms self‐assembled, red excimer‐emitting nanoaggregates in aqueous media, but specific binding to G4s triggers its disassembly into rigidified monomeric dyes, leading to a dramatic fluorescence enhancement. Moreover, selective permeation of CV2 stains G4s in mitochondria over the nucleus. CV2 was employed for tracking the folding and unfolding of G4s in living cells, and for monitoring mitochondrial DNA (mtDNA) damage. These properties make CV2 appealing to investigate the possible roles of mtDNA G4s in diseases that involve mitochondrial dysfunction.
Crystalline Anions Based on Classical N‐Heterocyclic Carbenes
Authors: Merschel Arne , Rottschäfer Dennis , Neumann Beate , Stammler Hans‐Georg , Ringenberg Mark , van Gastel Maurice , Demirer T. Ilgin , Andrada Diego M. , Ghadwal Rajendra S.
Published: November 2022

Herein, the first stable anions K[SIPrBp] (4 a‐K) and K[IPrBp] (4 b‐K) (SIPrBp=BpC{N(Dipp)CH2}2, IPrBp=BpC{N(Dipp)CH}2; Bp=4‐PhC6H4; Dipp=2,6‐iPr2C6H3) derived from classical N‐heterocyclic carbenes (NHCs) (i.e. SIPr and IPr) have been isolated as violet crystalline solids.4 a‐Kand4 b‐Kare prepared by KC8reduction of the neutral radicals [SIPrBp] (3 a) and [IPrBp] (3 b), respectively. The radicals3 aand3 bas well as [Me‐IPrBp]3 c(Me‐IPrBp=BpC{N(Dipp)CMe}2) are accessible as crystalline solids on treatment of the respective 1,3‐imidazoli(ni)um bromides (SIPrBp)Br (2 a), (IPrBp)Br (2 b), and (Me−IPrBp)Br (2 c) with KC8. The cyclic voltammograms of2 a–2 cexhibit two one‐electron reversible redox processes in −0.5 to −2.5 V region that correspond to the radicals3 a–3 cand the anions (4 a–4 c)−. Computational calculations suggest a closed‐shell singlet ground state for (4 a–4 c)−with the singlet‐triplet energy gap of 17–24 kcal mol−1.
Performance relative study of metal oxide nanoparticles on mechanical, thermal, and optical characteristics of gamma‐irradiated poly (vinyl alcohol) nanocomposites
Authors: Elnaggar Mona Y. , Fathy E. S. , Wahab L. A.
Published: November 2022

Nanocomposites based on poly (vinyl alcohol) (PVA) filled with different types of nanometal oxides named MgO, Al2O3, and CuO were attained from an aqueous solution of PVA. PVA/nanometal oxide films were achieved by the solution casting procedure. The prepared nanocomposites were subjected to a gamma radiation dose at 50 kGy to study the impact of ionizing radiation on the various properties of the prepared samples. In this context, this work was mainly concerned with the differences in the behavior of various metal oxides, as well as the effect of ionizing radiation on the tensile strength (TS), elongation at break (E%), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), X‐ray diffraction, and optical characteristics of the fabricated specimens. Furthermore, Fourier transform infrared (FTIR), SEM, and thermodynamic factors (Ea, ΔH, ΔG, and ΔS) were considered. FTIR and the suggested reaction mechanism supported that the hydroxyl groups of PVA have a really strong affinity to form charge‐transfer complexes with different nanometal oxides done chelation. In general, the interference of 0.1% of all studied nanometal oxides improved TS, thermal stability, melting temperature, and optical properties of PVA, whereas PVA/0.1 CuO was the best. Moreover, gamma radiation exposure enhanced the different properties of native PVA and displayed anisotropic behavior toward its nanocomposites.
Identification of begomoviruses associated with the insect vectorBemisia tabaciand various host plants on Java Island, Indonesia
Authors: Lestari Susanti M. , Hidayat Sri H. , Hidayat Purnama , Kil Eui‐Joon , Lee Sukchan , Kim Sang‐Mok , Lee Kyeong‐Yeoll
Published: November 2022

Begomoviruses are economically important plant viruses and are transmitted byBemisia tabaciwhich is a complex of various cryptic species. However, it is uncertain whether most begomoviruses that infect host plants are transmitted byB. tabaciat a similar rate. We compared the begomovirus profiles that were detected in a total of 37 whitefly populations and 52 host plants on Java Island, Indonesia. Seven begomovirus species were detected inB. tabaciat different rates: pepper yellow leaf curl Indonesia virus (PepYLCIV, 56.8%), tomato yellow leaf curl Kanchanaburi virus (TYLCKaV, 46.0%), tomato leaf curl New Delhi virus (ToLCNDV, 21.6%), squash leaf curl China virus (SLCCNV, 21.6%), ageratum yellow vein China virus (AYVCNV, 2.7%), mungbean yellow mosaic India virus (MYMIV, 2.7%), and okra enation leaf curl virus (OELCuV, 2.7%). The begomoviruses were detected at different rates in three cryptic species ofB. tabaci. In addition, six begomovirus species were detected in the various host plants at different rates: PepYLCIV (67.3%), TYLCKaV (53.9%), ToLCNDV (13.5%), MYMIV (11.5%), AYVCNV (3.9%), and Tomato yellow leaf curl Thailand virus (TYLCTHV) (1.9%). By comparing the virus presence between whiteflies and plants, five begomoviruses (AYVCNV, MYMIV, PepYLCIV, ToLCNDV, and TYLCKaV) were detected in both samples, but their sequence similarity was highly variable depending on the begomovirus themselves; TYLCKaV was highest (99.4%–100%) than any other viruses. Our study suggestsB. tabaciacquire begomoviruses at different rates from plants. This study provides important information on the potential variation in the begomovirus transmission mechanism.
Design, synthesis, and biological evaluation of aminopyridine derivatives as novel tropomyosin receptor kinase inhibitors
Authors: Lv Ruicheng , Wang Xin , Sun Yixiang , Qin Qiaohua , Liu Nian , Wu Tianxiao , Sun Yin , Yin Wenbo , Zhao Dongmei , Cheng Maosheng
Published: November 2022

Tropomyosin receptor kinase (TRK) is a successful target for the treatment of various cancers caused by NTRK gene fusions. Herein, based on a rational drug design strategy, we designed and synthesized 35 aminopyrimidine derivatives that were shown to be TRKA inhibitors in the enzyme assay, among which compounds C3, C4, and C6 showed potent inhibitory activities against TRKA with IC50 values of 6.5, 5.0, and 7.0 nM, respectively. In vitro antiproliferative activity study showed that compound C3 significantly inhibited the proliferation of KM‐12 cells but had weak inhibitory effect on MCF‐7 cells and HUVEC cells. The preliminary druggability evaluation showed that compound C3 exhibited favorable liver microsomal and plasma stabilities and had weak or no inhibitory activity against cytochrome P450 isoforms at 10 µM. Compounds C3, C4, and C6 were also selected for ADME (absorption, distribution, metabolism, and elimination) properties prediction and molecular docking studies. Inhibition experiments showed that compound C3 was not selective for TRK subtypes. All results indicated that compound C3 was a useful candidate for the development of TRK inhibitors.
New approach and analysis of the generalized constant elasticity of variance model
Authors: Kim Inyoung , Kim Takwon , Lee Ki‐Ahm , Yoon Ji‐Hun
Published: November 2022

Generally, it is well known that the constant elasticity of variance (CEV) model fails to capture the empirical results verifying that the implied volatility of equity options displays smile and skew curves at the same time. In this study, to overcome the limitation of the CEV model, we introduce a new model, which is a generalization of the CEV model, and show that it can capture the smile and skew effects of implied volatility. Using an asymptotic analysis for two small parameters that determine the volatility shape, we obtain approximated solutions for option prices in the extended model. In addition, we demonstrate the stability of the solution for the expansion of the option price. Furthermore, we show the convergence rate of the solutions in Monte‐Carlo simulation and compare our model with the CEV, Heston, and other extended stochastic volatility models to verify its flexibility and efficiency compared with these other models when fitting option data from the S&P 500 index.
Patient preferences for treatment modalities for localised prostate cancer
Authors: Teunissen Frederik R. , Hehakaya Charisma , Meijer Richard P. , van Melick Harm H. E. , Verkooijen Helena M. , van der Voort van Zyp Jochem R. N.
Published: November 2022

Objectives

To assess the patient preferences and utility scores for the different conventional and innovative treatment modalities for localised prostate cancer (PCa).

Subjects and Methods

Patients treated for localised PCa and healthy volunteers were invited to fill out a treatment‐outcome scenario questionnaire. Participants ranked six different treatments for localised PCa from most to least favourable, prior to information. In a next step, treatment procedures, toxicity, risk of biochemical recurrence and follow‐up regimen were comprehensibly described for each of the six treatments (i.e. treatment‐outcome scenarios), after which patients re‐ranked the six treatments. Additionally, participants gave a visual analogue scale (VAS) and time trade‐off (TTO) score for each scenario. Differences between utility scores were tested by Friedman tests with post hoc Wilcoxon signed‐rank tests.

Results

Eighty patients and twenty‐nine healthy volunteers were included in the study. Before receiving treatment‐outcome scenario information, participants ranked magnetic resonance‐guided adaptive radiotherapy most often as their first choice (35%). After treatment information was received, active surveillance was most often ranked as the first choice (41%). Utility scores were significantly different between the six treatment‐outcome scenarios, and active surveillance, non‐ and minimal‐invasive treatments received higher scores.

Conclusions

Active surveillance and non‐invasive treatment for localised PCa were the most preferred options by PCa patients and healthy volunteers and received among the highest utility scores. Treatment preferences change after treatment information is received.
Electrical and thermal conductivity of CNT/alumina‐nanocomposite ceramics
Authors: Bechteler Christian , Machuj Lisa , Hebendanz Kilian , Rübling Achim , Girmscheid Ralf , Kühl Hannes
Published: November 2022

In the present work, carbon nanotube (CNT)‐reinforced alumina nanocomposite ceramics were investigated about their electrical and, for the first time in such detail, thermal conductivity. Therefore, two different alumina powders with varying CNT‐contents were processed by pressureless sintering and hot pressing to achieve CNT/alumina composite ceramics with varying porosity and CNT‐content between 0 and 5 wt.% CNTs. A significant influence of the grain size on percolation threshold of the electrical conductivity was detected. The coarser CT 3000 SG‐based ceramic showed a threshold of <0.25 wt.%, which is the lowest reported threshold in literature. Pore orientation in the hot‐pressed materials shows a significant influence on the electrical and thermal conductivity of the composite, causing anisotropic properties. Both, electrical and thermal conductivity are higher parallel to the pore structure and perpendicular to the press‐direction, respectively, with electrical conductivity being up to three times and thermal conductivity up to 30% higher parallel to the pore structure. Unlike electrical conductivity, thermal conductivity decreases significantly with increasing CNT‐content. As two influences, CNT‐content and porosity, interact, each of them was analyzed separately in order to measure the isolated influence of CNT‐content on thermal conductivity at constant porosity. It was shown, that thermal conductivity decreases considerably with increasing CNT‐content even at constant porosity, because of a disturbed crystal structure due to a finer grain structure with more grain boundaries. This behavior is contrary to the expected, and sometimes reported, effect of CNTs. The combination of an increasing CNT‐content and the related increase in porosity causes a strongly decreasing thermal conductivity of the material from 35 W/m∙K for pure alumina to 10 W/m∙K for alumina with 5 wt.% CNTs. The presented results in this and other previously published investigations from the authors show that CNT/alumina‐nanocomposites have the potential of combining outstanding mechanical properties and electrical conductivity, which can be used as high performance electrically conductive ceramic material for a wide range of applications.
Evaluation of soybean grain quality and yield across various row spacings, planting dates, and fungicide programs
Authors: Floyd C. A. , Irby J. T. , Allen T. W. , Catchot A. L. , Dodds D. M. , Sarver J. M. , Maples W. E. , Scholtes A. B. , Carver S. M.
Published: November 2022

One of the major constraints to profitable soybean [Glycine max (L.) Merr.] production is yield losses caused by disease. The mid‐southern region of the United States typically experiences environmental conditions that are conducive to disease development, particularly during later reproductive growth stages. It is common for producers in this region to apply fungicides at the beginning of pod development (R3 growth stage; development of pods 3/16 inches long). Producers often question if establishing crops in different row patterns would alter the yield response to prophylactic fungicide applications. Producers also seek answers regarding the yield and grain quality responses to fungicide applications across different row patterns. However, limited data exist to determine if fungicide applications influence the responses of soybean's yield and grain quality between different row spacings. The objective of this research was to evaluate soybean's growth, development, yield, and grain quality across various row spacings, planting dates, and prophylactic fungicide application programs in the absence of disease. These data support that early‐planted soybean had greater yield than later‐planted soybean. No interactions were observed among row spacing, planting date, and fungicide product with respect to yield. Independently, no yield differences were observed regardless of the row spacing or the fungicide product. Regarding quality, soybean planted later resulted in fewer total damaged soybean kernels. These data suggest that row spacing and planting date may not influence soybean's yield response to prophylactic fungicide. Furthermore, these data also suggest that prophylactic fungicide during pod development may not influence the subsequent grain quality.
Nontoxic Artificial Chloride Channel Formation in Epithelial Cells by Isophthalic Acid‐Based Small Molecules
Authors: Mondal Abhishek , Barik Ganesh Kumar , Sarkar Susmita , Mondal Debashis , Ahmad Manzoor , Vijayakanth Thangavel , Mondal Jagannath , Santra Manas Kumar , Talukdar Pinaki
Published: November 2022

Artificial channels capable of facilitating the transport of Cl− ions across cell membranes while being nontoxic to the cells are rare. Such synthetic ion channels can mimic the functions of membrane transport proteins and, therefore, have the potential to treat channelopathies by replacing defective ion channels. Here we report isophthalic acid‐based structurally simple molecules 1 a and 2 a, which self‐assemble to render supramolecular nanochannels that allow selective transport of Cl− ions. As evident from the single‐crystal X‐ray diffraction analysis, the self‐assembly is governed by intermolecular hydrogen bonding and π‐π stacking interactions. The MD simulation studies for both 1 a and 2 a confirmed the formation of stable Cl− channel assembly in the lipid membrane and Cl− transport through them. The MQAE assay showed the efficacy of the compounds in delivering Cl− ions into cells, and the MTT assays proved that the compounds are nontoxic to cells even at a concentration of 100 μM.
Effect of Si on the Oxidation Behaviors of Ti3Al1−xSixC2 at 1000 °C
Authors: Du Cheng‐Feng , Yang Zihan , Zeng Qingyan , Xue Longqi , Wang Chuanchao , Wang Jinjin , Yu Hong
Published: November 2022

In this work, Ti3Al1−xSixC2 (x=0, 0.2, 0.4, and 0.6) with Al/Si solid solution structure are synthesized, and the effects of Si on their oxidation behaviors at 1000 °C are evaluated. The addition of Si not only contributes to the formation of Ti5Si3 impurity but also affects the composition of the oxide scale. Particularly, the incorporation of Si in the TiO2 lattice is demonstrated, which alters the formation energy of the (110) plane in TiO2, thus leading to the preferential growth of Si‐doped TiO2 to dendritic congeries. Moreover, the Si addition is believed to affect mass transportation during the oxidation process, which accelerates the formation of a continuous Al2O3 layer in the oxide scale. With an optimized Si content, the oxidation of Ti3Al1−xSixC2 is restrained. However, with excess Si content, the continuity of the resulting Al2O3 layer is destroyed, thus the oxidation rate rises again.
Woven Polymer Networks: From Crystalline to Elastomeric Materials
Authors: Liu Yuhang , Yan Xuzhou
Published: November 2022

Weaving technology has been extensively used for manufacturing macroscopic fabrics and satisfying the artistic demands of humans through the ages. Integrating woven geometries into molecular structures is a persistent pursuit, and yet a significant challenge to chemists, owing to the lack of effective methodologies to guide the regular mutual interlacing of molecular strands. In this Concept article, recent progress and related strategies in constructing woven polymer networks (WPNs) are summarized and discussed. An outlook is then given to highlight the future opportunities and challenges in the development of both molecularly woven structures and molecularly woven functional materials.
Disproportionation and Ligand Lability in Low Oxidation State Boryl‐Tin Chemistry**
Authors: Zheng Xiongfei , Crumpton Agamemnon E. , Protchenko Andrey V. , Heilmann Andreas , Ellwanger Mathias A. , Aldridge Simon
Published: November 2022

Boryltin compounds featuring the metal in the+1 or 0 oxidation states can be synthesized from the carbene‐stabilized tin(II) bromide (boryl)Sn(NHC)Br (boryl={B(NDippCH)2}; NHC=C{(NiPrCMe)2}) by the use of strong reducing agents. The formation of the mono‐carbene stabilized distannyne and donor‐free distannide systems (boryl)SnSn(IPrMe)(boryl) (2) and K2[Sn2(boryl)2] (3), using Mg(I) and K reducing agents mirrors related germanium chemistry. In contrast to their lighter congeners, however, systems of the type [Sn(boryl)]n are unstable with respect to disproportionation. Carbene abstraction from 2 using BPh3, and two‐electron oxidation of 3 both result in the formation of a 2 : 1 mixture of the Sn(II) compound Sn(boryl)2, and the hexatin cluster, Sn6(boryl)4 (4). A viable mechanism for this rearrangement is shown by quantum chemical studies to involve a vinylidene intermediate (analogous to the isolable germanium compound, (boryl)2Ge=Ge), which undergoes facile atom transfer to generate Sn(boryl)2 and trinuclear [Sn3(boryl)2]. The latter then dimerizes to give the observed hexametallic product 4, with independent studies showing that similar trigermanium species aggregate in analogous fashion.
Heteropoly Blue/Carbon Nanotubes Nanocomposites as High‐Performance Photothermal Conversion Materials
Authors: Wang Zhilin , Zhao Songying , Xiao Shanshan , Liu Shanping , Yao Ruiqi , Li Yingqi , Wang Yonghui , Li Yangguang , Tan Huaqiao
Published: November 2022

To realize the direct and full use of the widely distributed solar energy, developing novel materials with superb photothermal conversion capability is essential. Although heteropoly blue has intrinsic outstanding solar absorption and photothermal conversion properties, its spectral absorption in the infrared region is weak. Here, composites of heteropoly blue and carbon nanotubes (HPB/CNTs) are synthesized depending on electrostatic interactions by facile microwave sonication and freeze‐drying. The doped CNTs can dramatically improve the spectral absorption performance of HPB ontology in the infrared region. As a result, the light absorption of the optimized HPB/CNTs (20 %) reaches more than 95 % in the range of 200–2400 nm, showing promising prospects as high‐performance photothermal conversion material in the applications of solar desalination and wastewater treatment.
Recent Progresses in Liquid‐Free Soft Ionic Conductive Elastomers†
Authors: Luo Chuan , Huang Zhenkai , Guo Zi‐Hao , Yue Kan
Published: November 2022

Comprehensive Summary

With the rapid growth of soft electronic and ionotronic devices such as artificial tissues, soft luminescent devices, soft robotics, and human‐machine interfaces, there is a demanding need to accelerate the development of soft ionic conductive materials. To date, the first‐generation ionotronic devices are mainly based on hydrogels or ionogels. However, due to their intrinsic drawbacks, such as freezing or volatilization at extreme temperatures, and the leakage problem under external mechanical forces, the reliability of ionotronic devices under harsh conditions remains a great challenge. The advent of liquid‐free ionic conductive elastomers (ICEs) has the potentials to solve the issues related to the gel‐type soft conductive materials. The free ions shuttling within the ion‐dissolvable polymer network enable liquid‐free ICEs to exhibit unparalleled ionic conductivity and elasticity. Moreover, by tuning the composition and structure of the polymeric network, it is also feasible to integrate other desirable properties, such as self‐healing ability, transparency, biocompatibility, and stimulus responsiveness, into liquid‐free ICE materials. In this review, we summarize the design strategies of recently reported liquid‐free ICEs, and further explore the methods to introduce multifunctionality, which originate from the rational molecular design and/or the synergy with other materials. Moreover, we highlight the representative applications of liquid‐free ICEs in soft ionotronics. It is believed that liquid‐free ICEs might provide a unique material platform for the next‐generation ionotronics.
Exciton Nature of Plasma Phase Transition in Warm Dense Fluid Hydrogen: ROKS Simulation**
Authors: Fedorov Ilya D. , Stegailov Vladimir V.
Published: November 2022

The transition of warm dense fluid hydrogen from an insulator to a conducting state at pressures of about 20–400 GPa and temperatures of 500–5000 K has been the subject of active scientific research over the past few decades. However, various experimental and theoretical methods do not provide consistent results. In this work, we have applied the restricted open‐shell Kohn–Sham (ROKS) method for first principles molecular dynamics of dense hydrogen after thermal excitation to the first singlet excited state. The Wannier localization method has allowed us to analyze the exciton dynamics in this system. The model shows that a key mechanism of the transition is associated with the dissociation of electron‐hole pairs, which allows explaining several stages of the transition of fluid H2 from molecular state to plasma. This mechanism is able to give a quantitative description of several experimental results as well as to resolve the discrepancies between experimental studies.
Band Edges Engineering of 2D/2D Heterostructures: The C3N4/Phosphorene Interface
Authors: Di Liberto Giovanni , Tosoni Sergio
Published: November 2022

We investigate the interface between carbon nitride (C3N4) and phosphorene nanosheets (P‐ene) by means of Density Functional Theory (DFT) calculations. C3N4/P‐ene composites have been recently obtained experimentally showing excellent photoactivity. Our results indicate that the formation of the interface is a favorable process driven by Van der Waals forces. The thickness of P‐ene nanosheets determines the band edges offsets and the charge carriers’ separation. The system is predicted to pass from a nearly type‐II to a type‐I junction when the thickness of P‐ene increases, and the conduction band offset is particularly sensitive. Last, we apply the Transfer Matrix Method to estimate the efficiency for charge carriers’ migration as a function of the P‐ene thickness.
Assessment of the Electrochemical Synthesis Route to Silicones Starting from Silica as Feedstock
Authors: Beck Alexander D. , Schäffer Lukas , Haufe Stefan , Waldvogel Siegfried R.
Published: November 2022

We successfully achieved methylation of various SiO2 sources to cyclic methylsiloxanes via electroreduction reaction. Contrary to previous assumptions, the reaction does not start from methanol as methyl radical source, that results in methoxylation of the electrolyte solvent. Methylammonium cations were found to enable the direct conversion, strongly dependent on the radical intermediate stabilization by the electrolyte. THF/Bu4NCF3SO3 is the sole applicable system with yields below 14 % referred to the methylammonium cations for the highest amount of product obtained so far. Mechanistic insights show that methylation does not occur via the supposed hydrolysis of dimethoxydimethylsilane intermediate, but via a direct conversion reaction, as comparative studies of a Fenton‐type procedure clearly indicate. Further, cyclic methylsiloxane products are prone to subsequent electrochemical equilibration, strongly directed by the electrolyte solvent.