bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractThe 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

AbstractAllylamines 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

AbstractThe 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

AbstractHerein, 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.
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

AbstractBegomoviruses 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

AbstractTropomyosin 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

AbstractGenerally, 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

AbstractObjectivesTo assess the patient preferences and utility scores for the different conventional and innovative treatment modalities for localised prostate cancer (PCa).Subjects and MethodsPatients 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.ResultsEighty 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.ConclusionsActive 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

AbstractIn 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

AbstractOne 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

AbstractArtificial 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

AbstractIn 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

AbstractWeaving 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

AbstractBoryltin 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

AbstractTo 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 SummaryWith 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.