bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Universal Polyiodide Regulation Using Quaternization Engineering toward High Value‐Added and Ultra‐Stable Zinc‐Iodine Batteries
Authors: Zhang Leiqian , Zhang Mingjie , Guo Hele , Tian Zhihong , Ge Lingfeng , He Guanjie , Huang Jiajia , Wang Jingtao , Liu Tianxi , Parkin Ivan P. , Lai Feili 
Published: March 2022

AbstractThe development of aqueous rechargeable zinc‐iodine (Zn‐I2) batteries is still plagued by the polyiodide shuttle issue, which frequently causes batteries to have inadequate cycle lifetimes. In this study, quaternization engineering based on the concept of “electric double layer” is developed on a commercial acrylic fiber skeleton ($1.55–1.7 kg−1) to precisely constrain the polyiodide and enhance the cycling durability of Zn‐I2 batteries. Consequently, a high‐rate (1 C–146.1 mAh g−1, 10 C–133.8 mAh g−1) as well as, ultra‐stable (2000 cycles at 20 C with 97.24% capacity retention) polymer‐based Zn‐I2 battery is reported. These traits are derived from the strong electrostatic interaction generated by quaternization engineering, which significantly eliminates the polyiodide shuttle issue and simultaneously realizes peculiar solution‐based iodine chemistry (I−/I3−) in Zn‐I2 batteries. The quaternization strategy also presents high practicability, reliability, and extensibility in various complicated environments. In particular, cutting‐edge Zn‐I2 batteries based on the concept of derivative material (commercially available quaternized resin) demonstrate ≈100% capacity retention over 17 000 cycles at 20 C. This work provides a general and fresh insight into the design and development of large‐scale, low‐cost, and high‐performance zinc‐iodine batteries, as well as, other novel iodine storage systems.
Gas phase hydrodynamics in a surface‐aerated tank with a long‐short blades agitator
Authors: Wu Yongjun , Wang Jian , You Pan , Luo Peicheng 
Published: March 2022

AbstractThis work aims to study the gas phase hydrodynamics in a stirred tank with a surface‐aerated long‐short blades agitator by the Eulerian–Eulerian approach coupled with population balance model. Predicted local gas holdup and bubble size distribution agree well with those measured by a conductivity probe technique. The predictions demonstrate that the pressure depression in the center is the main driving force for gas suction and the downward flow carries the bubbles down to redistribute in the whole tank. The gas phase has higher gas holdup with large bubble size in the upper part and lower gas holdup but with small bubble size in the lower part of the tank. The predicted liquid‐phase mass transfer coefficients agree well with our previous experimental results and just depend on the power consumption per unit volume when the aspect ratio of the liquid height to the tank diameter varies from 1.1 to 2.0.
Plasticity in floral longevity and sex‐phase duration of Lobelia siphilitica in response to simulated pollinator declines
Authors: Lee Kiana J. , Caruso Christina M. 
Published: March 2022

AbstractPremisePollinator declines can reduce the quantity and quality of pollination services, resulting in less pollen deposited on flowers and lower seed production by plants. In response to these reductions, plant species that cannot autonomously self‐pollinate and thus are dependent on pollinators to set seed could plastically adjust their floral traits. Such plasticity could increase the opportunity for outcross pollination directly, as well as indirectly by affecting inflorescence traits.MethodsTo test whether plants can respond to pollinator declines by plastically adjusting their floral traits, we simulated declines by experimentally reducing pollinator access to Lobelia siphilitica plants and measuring two traits of early‐ and late‐season flowers: (1) floral longevity; and (2) sex‐phase duration. To test whether plasticity in these floral traits affected inflorescence traits, we measured daily display size and phenotypic gender.ResultsWe found that experimentally reducing pollination did not affect female‐phase duration, but did extend the male‐phase duration of early‐season flowers by 13% and the longevity of late‐season flowers by 12.8%. However, plants with an extended male phase did not have a more male‐biased phenotypic gender, and plants with an extended floral longevity did not have a larger daily display.ConclusionsOur results suggest that plants can respond to pollinator declines by plastically adjusting both the longevity and sex‐phase duration of their flowers. If this plasticity increases the opportunity for outcross pollination, then it could be one mechanism by which pollinator‐dependent plant species maintain seed production as pollinators decline.
Oxidase‐Type C−H/C−H Coupling Using an Isoquinoline‐Derived Organic Photocatalyst
Authors: Zhang Lei , Pfund Björn , Wenger Oliver S. , Hu Xile 
Published: March 2022

AbstractOxidase‐type oxidation is an attractive strategy in organic synthesis due to the use of O2 as the terminal oxidant. Organic photocatalysis can effect metal‐free oxidase chemistry. Nevertheless, current methods are limited in reaction scope, possibly due to the lack of suitable photocatalysts. Here we report an isoquinoline‐derived diaryl ketone‐type photocatalyst, which has much enhanced absorption of blue and visible light compared to conventional diaryl ketones. This photocatalyst enables dehydrogenative cross‐coupling of heteroarenes with unactivated and activated alkanes as well as aldehydes using air as the oxidant. A wide range of heterocycles with various functional groups are suitable substrates. Transient absorption and excited‐state quenching experiments point to an unconventional mechanism that involves an excited state “self‐quenching” process to generate the N‐radical cation form of the sensitizer, which subsequently abstracts a hydrogen atom from the alkane substrate to yield a reactive alkyl radical.
Electrochemically Controlled Switchable Copolymerization of Lactide, Carbon Dioxide, and Epoxides
Authors: Huang Yuezhou , Hu Chenyang , Pang Xuan , Zhou Yanchuan , Duan Ranlong , Sun Zhiqiang , Chen Xuesi 
Published: March 2022

AbstractElectrochemical redox‐control is an emerging strategy for the regulation of polymerization process without the addition of external oxidants and reductants, which enables the control over composition, microstructure and properties of the polymer products. In this paper, based on the chemical selectivity of heterometallic Salen‐Co‐Mn complexes of different valences, an electrochemically switchable strategy was developed for the copolymerization of lactide (LA), CO2 and epoxides. The switchable redox reactions endowed this system with the capability to easily synthesize a multi‐block copolymer of polylactide (PLA) and polycarbonate (PC). Moreover, the multi‐block copolymer could be further modified by introducing various monomers with different microstructures and functional groups.
K3SbS4 as a Potassium Superionic Conductor with Low Activation Energy for K–S Batteries
Authors: Shao Jieren , Zheng Jingfeng , Qin Lei , Zhang Songwei , Ren Yang , Wu Yiying 
Published: March 2022

AbstractSolid‐state K‐ion conducting electrolytes are key elements to address the current problems in K secondary batteries. Here, we report a sulfide‐based K‐ion conductor K3SbS4 with a low‐activation energy of 0.27 eV. W‐doped K3−xSb1−xWxS4 (x=0.04, 0.06, 0.08, 0.10 and 0.12) compounds were also explored for increasing vacancy concentrations and improving ionic conductivity. Among them, K2.92Sb0.92W0.08S4 exhibits the highest conductivity of 1.4×10−4 S cm−1 at 40 °C, which is among the best reported potassium‐ion conductors at ambient temperature. In addition, K2.92Sb0.92W0.08S4 is electrochemically stable with long‐chained potassium polysulfide of K2Sx. A room‐temperature solid potassium–sulfur (K−S) battery system has therefore been successfully demonstrated, which is the first K−S battery prototype using non‐commercial inorganic‐based electrolyte to block the polysulfide shuttle.
Combination of Knoevenagel Polycondensation and Water‐Assisted Dynamic Michael‐Addition‐Elimination for the Synthesis of Vinylene‐Linked 2D Covalent Organic Frameworks
Authors: Xu Shunqi , Liao Zhongquan , Dianat Arezoo , Park Sang‐Wook , Addicoat Matthew A. , Fu Yubin , Pastoetter Dominik L. , Fabozzi Filippo Giovanni , Liu Yannan , Cuniberti Gianaurelio , Richter Marcus , Hecht Stefan , Feng Xinliang 
Published: March 2022

AbstractVinylene‐linked two‐dimensional conjugated covalent organic frameworks (V‐2D‐COFs), belonging to the class of two‐dimensional conjugated polymers, have attracted increasing attention due to their extended π‐conjugation over the 2D backbones associated with high chemical stability. The Knoevenagel polycondensation has been demonstrated as a robust synthetic method to provide cyano (CN)‐substituted V‐2D‐COFs with unique optoelectronic, magnetic, and redox properties. Despite the successful synthesis, it remains elusive for the relevant polymerization mechanism, which leads to relatively low crystallinity and poor reproducibility. In this work, we demonstrate the novel synthesis of CN‐substituted V‐2D‐COFs via the combination of Knoevenagel polycondensation and water‐assisted dynamic Michael‐addition‐elimination, abbreviated asKMAEpolymerization. The existence of C=C bond exchange between two diphenylacrylonitriles (M1andM6) is firstly confirmed via in situ high‐temperature NMR spectroscopy study of model reactions. Notably, the intermediateM4synthesized via Michael‐addition can proceed the Michael‐elimination quantitatively, leading to an efficient C=C bond exchange, unambiguously confirming the dynamic nature of Michael‐addition‐elimination. Furthermore, the addition of water can significantly promote the reaction rate of Michael‐addition‐elimination for highly efficient C=C bond exchange within 5 mins. As a result, theKMAEpolymerization provides a highly efficient strategy for the synthesis of CN‐substituted V‐2D‐COFs with high crystallinity, as demonstrated by four examples of V‐2D‐COF‐TFPB‐PDAN, V‐2D‐COF‐TFPT‐PDAN, V‐2D‐COF‐TFPB‐BDAN, and V‐2D‐COF‐HATN‐BDAN, based on the simulated and experimental powder X‐ray diffraction (PXRD) patterns as well as N2‐adsorption–desorption measurements. Moreover, high‐resolution transmission electron microscopy (HR‐TEM) analysis shows crystalline domain sizes ranging from 20 to 100 nm for the newly synthesized V‐2D‐COFs.
Free access to scientific literature and its influence on the publishing activity in developing countries: The effect ofSci‐Hubin the field of mathematics
Authors: Buehling Kilian , Geissler Matthias , Strecker Dorothea 
Published: March 2022

AbstractThis paper investigates whether free access to scientific literature increases the participation of under‐represented groups in scientific discourse. To this end, we aggregate and match data tracing access to Sci‐Hub, a widely used black open access (OA) repository orshadow library, and publication data from the Web of Science (WoS). We treat the emergence of Sci‐Hub as an exogenous event granting relatively unrestricted access to publications, which are otherwise hidden behind a paywall. We analyze changes in the publication count of researchers from developing countries in a given journal as a proxy for general participation in scientific discourse. Our results indicate that in the exemplary field of mathematics, free access to academic knowledge is likely to improve the representation of authors from developing countries in international journals. Assuming the desirability of greater international diversity in science (e.g., to generate more original work, reproduce empirical findings in different settings, or shift the research focus toward topics that are overlooked by researchers from more developed countries), our findings lend evidence to the claim of the OA movement that scientific knowledge should befreeand widely distributed.
Light‐activatable multifunctional paclitaxel nanoprodrug for synergistic chemo‐photodynamic therapy in liver cancer
Authors: Zhu Hanzhang , Zhou Weijiang , Wan Yafeng , Lu Jun , Ge Ke , Jia Changku 
Published: March 2022

AbstractPaclitaxel (Ptx) is widely utilized to treat liver cancer, and the treatment benefit of reactive oxygen species (ROS)‐responsive Ptx nanoprodrug is investigated in this study. The one‐step nano‐precipitation method was utilized to self‐assembly DSPE‐PEG2000‐thioketal linker (TK)‐Ptx with pyropheophorbide acid nanoparticles (PPa NPs) to form PPa/Ptx NPs. Dynamic light scattering and transmission electron microscopy were used for characterization, and 2′‐7′dichlorofluorescin diacetate staining was utilized for intracellular ROS detection. HepG2 cells viability and tumor growth rate of HepG2 bearing mice were assayed. Hematoxylin and eosin staining, proliferating cell nuclear antigen detection, and terminal deoxynucleotidyl transferase dUTP nick‐end labeling assay were utilized for histology assessment. PPa/Ptx NPs incubation with light irradiation showed superior cytotoxicity to HepG2 cells with increased intracellular ROS production than PPa/Ptx NPs incubation without light irradiation or PPa NPs incubation with light irradiation. At the same time, PPa/Ptx NPs with light irradiation could significantly decrease the tumor growth in vivo as indicated by diminished tumor volume with the largest necrotic area, the highest rate of apoptotic cells, and the least proliferating cells. PPa/Ptx NPs show synergistic chemo‐photodynamic characteristics, which could be considered as a promising treatment option for liver cancer.
Molecular dynamics study on lithium‐ion transport in PEO branched nanopores with PYR14TFSI ionic liquid
Authors: Kim Seulwoo , Lee Minhwan , Park Chanui , Park Anseong , Kwon Sangwoo , Cho JunBeom , Kim Sebin , Rho Seunghyok , Lee Won Bo 
Published: March 2022

AbstractLithium ion transport in a poly‐(ethylene oxide) (PEO) branched nanopore filled with a solution of [lithium][bis(trifluoromethanesulfonyl)imide]/[1‐butyl‐1‐methylpyrrolidinium][bis(trifluoromethanesulfonyl)imide] (LiTFSI/PYR14TFSI) was investigated by molecular dynamics using many‐body polarizable force field. The structural and dynamic properties of lithium ions in the nanopores with different sizes and ratios of ions to PEO chains were examined. The first coordination shell of the lithium ions had a lower intensity in the longitudinal direction than in the radial direction. Cluster analysis of [Lix(TFSI)n]−(n−x)showed the absence of large lithium clusters (x ≥ 2) as a result of the enhanced suppression of monodentate structures compared with binary electrolytes (i.e., LiTFSI/PYR14TFSI without PEO chains). The emergence of [Li(TFSI)2]−and its relatively small hydrodynamic radius facilitated rapid dynamics compared with binary electrolytes. The diffusion coefficients and ionic conductivities of the lithium ions in the longitudinal direction increased with an increase in the ratio of the ions to PEO chains and a decrease in the pore size. It was noted that the lithium‐ion transport was mainly governed by structural diffusion based on a shorter residual time for anions compared with binary electrolytes. In addition, single ion trajectory analysis was performed and more frequent anion exchanges were observed when PEO chains were introduced.
Virtual reality as a didactic resource from the perspective of engineering teachers
Authors: Vergara Diego , Antón‐Sancho Álvaro , Dávila Lilián P. , Fernández‐Arias Pablo 
Published: March 2022

AbstractThis paper analyzes the assessment of engineering professors of different nationalities and universities regarding the use of virtual reality (VR) technologies in the classroom. In particular, the existence of gaps in these evaluations by ownership (private or public) of the university where each professor teaches is analyzed, both within the complete sample of participants and within the subsets formed when they are differentiated by gender, age, and time of teaching experience. For this purpose, a questionnaire has been designed and validated with 22 inquiries that have been dispersed in six scales, corresponding to six different dimensions that affect the didactic use of VR. The questionnaire has been distributed to a set of 279 university professors from different Engineering schools and countries. The results, which have been analyzed quantitatively, both descriptive and inferential, indicate that engineering teachers give high evaluations to VR as a didactic tool, but show a certain lack of knowledge and specific training regarding its use. Furthermore, there is a gap between private and public universities, where private university professors express overall higher evaluations of VR than public university professors.
Carbonate‐Based Fluorescent Chemical Tool for Uncovering Carboxylesterase 1 (CES1) Activity Variations in Live Cells
Authors: Singh Anchal , Gao Mingze , Karns Carolyn J. , Spidle Taylor P. , Beck Michael W. 
Published: March 2022

AbstractCarboxylesterase 1 (CES1) plays a key role in the metabolism of endogenous biomolecules and xenobiotics including a variety of pharmaceuticals. Despite the established importance of CES1 in drug metabolism, methods to study factors that can vary CES1 activity are limited with only a few suitable for use in live cells. Herein, we report the development of FCP1, a new CES1 specific fluorescent probe with a unique carbonate substrate constructed from commercially available reagents. We show that FCP‐1 can specifically report on endogenous CES1 activity with a robust fluorescence response in live HepG2 cells through studies with inhibitors and genetic knockdowns. Subsequently, we deployed FCP‐1 to develop a live cell fluorescence microscopy‐based approach to identify activity differences between CES1 isoforms. To the best of our knowledge, this is the first application of a fluorescent probe to measure the activity of CES1 sequence variants in live cells.
Novel translucent monolithic zirconia fixed restorations in the esthetic zone
Authors: Jurado Carlos Alberto , Villalobos‐Tinoco Jose , Watanabe Hidehiko , Sanchez‐Hernandez Ramon , Tsujimoto Akimasa 
Published: March 2022

AbstractNovel translucent monolithic zirconia has improved optical properties, and it may fulfill patient's esthetic demands and overcome the chipping risk of bilayer metal‐ceramic restorations. New zirconia's microstructures allow us to mimic natural teeth.
Multiple sebaceous tumors in a 58‐year‐old man with colorectal cancer
Authors: Ben Rejeb Mohamed , Mokni Sana , Ben Rejeb Maha , Abdelmoula Nihed , Sriha Baderedine , Khochteli Habib , Denguezli Mohamed 
Published: March 2022

AbstractThe Muir‐Torre Syndrome is a rare genodermatosis, defined by the occurrence of sebaceous neoplasia and internal malignancies and caused by mutations in the mismatch repair gene. We describe the case of 58‐year‐old man who, over the course of several years, had multiple skin lesions and colon cancer. The syndrome was diagnosed using Sanger sequencing, which allowed us to find the causative mutation.
Triazolium‐based Ionic Liquids Supported on Alumina as Catalysts to Produce 5‐HMF from Fructose
Authors: Araya‐Lopez Claudio , Conejeros Jael , Valdebenito Cristian , Cabezas René , Merlet Gastón , Marco José F. , Abarca Gabriel , Salazar Ricardo , Romero Julio 
Published: March 2022

AbstractThe dehydration of fructose to selectively produce 5‐HMF was catalytically developed in a new type of ionic liquids based on triazoles supported on alumina (Al2O3). The synthesis of triazoles by 1,3‐dipolar cycloaddition allows for creating a tailor‐made triazole, that was eventually used to design catalysts based on triazolium‐based ionic liquids. In this work, four catalysts based on triazolium‐ionic liquids supported on Al2O3 were synthesized to produce 5‐HMF from fructose in DMSO as the reaction solvent. According to their molecular structure, the catalysts were tagged as TR1/Al2O3, TR1‐HSO4/Al2O3, TR2/Al2O3, and TR2‐HSO4/Al2O3.
Phosphogypsum Resource Utilization Based on Thermodynamic Analysis
Authors: Yang Jie , Liu Shengyu , Wang Yifan , Huang Yi , Yuxin Sun , Dai Quxiu , Liu Hongpan , Ma Liping 
Published: March 2022

AbstractThe application of FactSage software in phosphogypsum resource utilization is described. Thermodynamic analysis is not only useful for predicting the amount and type of products including gases and solids under various conditions, but also for investigating the thermodynamic properties of related reactions. Statistical data analysis is conducted using the equilib module, reaction module, and phase diagram module of FactSage. The optimal conditions and mechanisms to utilize phosphogypsum for its products CaS, CaO, and CaCO3 are summarized. This comprehensive review on thermodynamic analysis in phosphogypsum resource utilization for the mentioned products is valuable for academicians, scientists, and researchers.
Diastereoselective synthesis of a cyclic diamide‐bridged biphenyl as chiral atropos ligand
Authors: Auras Stefanie , Trapp Oliver 
Published: March 2022

AbstractChiral compounds with a 1,2‐diamine structure motif and their derivatives are of great interest in organic chemistry and are broadly used in asymmetric transformations, as chiral auxiliaries, (co)ligands, and ligand core structure. Here, we present a straightforward, diastereoselective synthesis for a diamide‐bridged biaryl ligand. The ring closing reaction of the racemic atropos biphenyl 6,6′‐dimethoxy‐[1,1′‐biphenyl]‐2,2′‐dicarboxylic acid with (R,R)‐diaminocyclohexane yields the diasteromerically and enantiomerically pure cyclic (Sax,R,R)‐BIPOL, which can be used as a versatile chiral ligand. By NMR spectroscopy, we observed the formation of intermolecular aggregates of the diamide‐bridged BIPOL with anhydrous DMSO‐d6. DFT calculations at the B3LYP/6‐31G* level of theory corroborate the high interconversion barrier for the biaryl axis of ΔGǂ = 148.7 kJ mol−1 and the favoured formation of (Sax,R,R)‐BIPOL as single stereoisomer.
Sex differences in treatment and outcomes of patients with in‐hospital ST‐elevation myocardial infarction
Authors: Stehli Julia , Dinh Diem , Dagan Misha , Dick Ron , Oxley Stephanie , Brennan Angela , Lefkovits Jeffrey , Duffy Stephen J. , Zaman Sarah 
Published: March 2022

AbstractBackground and HypothesisTwo cohorts face high mortality after ST‐elevation myocardial infarction (STEMI): females and patients with in‐hospital STEMI. The aim of this study was to evaluate sex differences in ischemic times and outcomes of in‐hospital STEMI patients.MethodsConsecutive STEMI patients treated with percutaneous coronary intervention (PCI) were prospectively recruited from 30 hospitals into the Victorian Cardiac Outcomes Registry (2013−2018). Sex discrepancies within in‐hospital STEMIs were compared with out‐of‐hospital STEMIs. The primary endpoint was 12‐month all‐cause mortality. Secondary endpoints included symptom‐to‐device (STD) time and 30‐day major adverse cardiovascular events (MACE). To investigate the relationship between sex and 12‐month mortality for in‐hospital versus out‐of‐hospital STEMIs, an interaction analysis was included in the multivariable models.ResultsA total of 7493 STEMI patients underwent PCI of which 494 (6.6%) occurred in‐hospital. In‐hospital versus out‐of‐hospital STEMIs comprised 31.9% and 19.9% females, respectively. Female in‐hospital STEMIs were older (69.5 vs. 65.9 years, p = .003) with longer adjusted geometric mean STD times (104.6 vs. 94.3 min, p < .001) than men. Female versus male in‐hospital STEMIs had no difference in 12‐month mortality (27.1% vs. 20.3%, p = .92) and MACE (22.8% vs. 19.3%, p = .87). Female sex was not independently associated with 12‐month mortality for in‐hospital STEMIs which was consistent across the STEMI cohort (OR: 1.26, 95% CI: 0.94–1.70, p = .13).ConclusionsIn‐hospital STEMIs are more frequent in females relative to out‐of‐hospital STEMIs. Despite already being under medical care, females with in‐hospital STEMIs experienced a 10‐min mean excess in STD time compared with males, after adjustment for confounders. Adjusted 12‐month mortality and MACE were similar to males.