bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemical Prepotassiation Realizes Scalable KC8Foil Anodes for Potassium‐Ion Pouch Cells
Authors: Liang Lei , Tang Mengyao , Zhu Qiaonan , Wei Wei , Wang Sicong , Wang Jiawei , Chen Jiangchun , Yu Dandan , Wang Hua 
Published: March 2023

AbstractCurrently, graphite (Gr) and potassium metal are two typical and widely used anodes for potassium‐ion batteries (PIBs). Unfortunately, the inevitable electrochemical prepotassiation of Gr anode and the unprocessable nature of K metal hinder the advancement of potassium‐ion pouch cells. There is an urgent need to develop alternative anodes for promoting the practical applications of PIBs. Herein, KC8is proposed as a specialized anode for the research of PIBs. By taking a chemical prepotassiation strategy, a large‐area KC8foil is successfully fabricated for the first time. Through molecularly tailoring K‐arene complex, the Gibb's free energy of the Gr prepotassiation reaction can be changed, thus enabling accurate preparation of pure‐phase KC8.The size‐controllable KC8anode exhibits a high areal capacity of 1.49 mAh cm−2comparable to the commercial Gr anode used in lithium‐ion batteries. Based on this, a stackable pouch cell delivers an unprecedented high capacity of 106 mAh and high energy density >100 Wh kg−1cathode+anode. This work highlights the prospect of scalable KC8foil anodes to achieve practical PIBs.
Development and content validation of the checklist for assessing placement of a small‐bore chest tube (CAPS) for small‐bore chest tube placement
Authors: Shafiq Majid , Russo Stefani , Davis Joshua , Hall Ronald , Calhoun Jared , Jasper Edward , Berg Katherine , Berg Dale , O'Hagan Emma C. , Riesenberg Lee Ann 
Published: March 2023

AbstractBackgroundSmall‐bore chest tube (SBCT) placement via modified Seldinger technique is a commonly performed invasive procedure for treatment of pleural effusion and pneumothorax. When performed suboptimally, it may lead to serious complications. Validated checklists are central to teaching and assessing procedural skills and may result in improved health care quality. In this paper, we describe the development and content validation of a SBCT placement checklist.MethodsA literature review across multiple medical databases and seminal textbooks was performed to identify all publications describing procedural steps involved in SBCT placement. No studies were identified that involved systematic development of a checklist for this purpose. After the first iteration of a comprehensive checklist (CAPS) based on literature review was developed, the modified Delphi technique involving a panel of nine multidisciplinary experts was used to modify it and establish its content validity.ResultsAfter four Delphi rounds, the mean expert‐rated Likert score across all checklist items was 6.85 ± 0.68 (out of 7). The final, 31‐item checklist had a high internal consistency (Cronbach's alpha = 0.846) with 95% of the responses (by nine experts across 31 checklist items) being a numerical score of 6 or 7.ConclusionsThis study reports the development and content validity of a comprehensive checklist for teaching and assessing SBCT placement. For purposes of demonstrating construct validity, this checklist should next be studied in the simulation and clinical setting.
‘2E−2N squares’: Chalcogen (E=S, Se and Te) Bonding Involving Benzochalcogenodiazoles
Authors: Pati Palas Baran 
Published: March 2023

AbstractSeveral intra and intermolecular interactions (secondary bonding interactions, SBIs) such as halogen bonding (XB), hydrogen bonding (HB) have great impact on crystal engineering, from catalysis to material and pharmaceutical applications. With respect to other interactions chalcogen (S, Se and Te) bonding (ChB) is less explored until very recently, although it has great potential to evolve in larger domain. In literature there are several reports on ChB and their roles in solid‐state packing of molecular materials having benzochalcogenodiazole as an active moiety applicable in organic electronics. Some important and informative reviews on ChB and their various applications in catalysis and structural properties relationship were also presented. Here purpose of this review is to summarize the ChB involved in π‐conjugated molecular system having benzochalcogenodiazole to form ‘2E−2N square’ which seems to be very important supramolecular synthon involving ChB.
Revealing the Interfacial Chemistry of Fluoride Alkyl Magnesium Salts in Magnesium Metal Batteries
Authors: Long Juncai , Tan Shuangshuang , Wang Junjun , Xiong Fangyu , Cui Lianmeng , An Qinyou , Mai Liqiang 
Published: March 2023

AbstractExploring promising electrolyte‐system with high reversible Mg plating/stripping and excellent stability is essential for rechargeable magnesium batteries (RMBs). Fluoride alkyl magnesium salts (Mg(ORF)2) not only possess high solubility in ether solvents but also compatible with Mg metal anode, thus holding a vast application prospect. Herein, a series of diverse Mg(ORF)2 were synthesized, among them, perfluoro‐tert‐butanol magnesium (Mg(PFTB)2)/AlCl3/MgCl2 based electrolyte demonstrates highest oxidation stability, and promotes the in situ formation of robust solid electrolyte interface. Consequently, the fabricated symmetric cell sustains a long‐term cycling over 2000 h, and the asymmetric cell exhibits a stable Coulombic efficiency of 99.5 % over 3000 cycles. Furthermore, the Mg||Mo6S8 full cell maintains a stable cycling over 500 cycles. This work presents guidance for understanding structure–property relationships and electrolyte applications of fluoride alkyl magnesium salts.
Reactivity of Glutaconamides Within [2]Rotaxanes: Mechanical Bond Controlled Chemoselective Synthesis of Highly Reactive α‐Ketoamides and their Light‐Triggered Cyclization
Authors: de Maria Perez Jesus , Alajarin Mateo , Martinez‐Cuezva Alberto , Berna Jose 
Published: March 2023

AbstractGlutaconamide‐based [2]rotaxanes are efficiently oxidized to the respective interlocked α‐ketoamides, whereas their non‐interlocked threads afford hydroxycyclohexene tetraamides under similar reaction conditions. These results showcase the mechanically interlocking of highly reactive substrates as a powerful tool for controlling their chemical behavior. Inside the macrocycle and under irradiation with light, the α‐ketoamide threads convert, in a divergent manner, into the corresponding interlocked hydroxy‐β‐lactams or oxazolidinones by two modes of Norrish/Yang type‐II intramolecular cyclizations, processes that are efficiently chemocontrolled by the mechanical bond.
Contact‐electro‐catalysis for Direct Synthesis of H2O2 under Ambient Conditions
Authors: Zhao Jiawei , Zhang Xiaotong , Xu Jiajia , Tang Wei , Lin Wang Zhong , Ru Fan Feng 
Published: March 2023

AbstractHydrogen peroxide (H2O2) is an indispensable basic reagent in various industries, such as textile bleach, chemical synthesis, and environmental protection. However, it is challenging to prepare H2O2 in a green, safe, simple and efficient way under ambient conditions. Here, we found that H2O2 could be synthesized using a catalytic pathway only by contact charging a two‐phase interface at room temperature and normal pressure. Particularly, under the action of mechanical force, electron transfer occurs during physical contact between polytetrafluoroethylene particles and deionized water/O2 interfaces, inducing the generation of reactive free radicals (⋅OH and ⋅O2− ), and the free radicals could react to form H2O2, yielding as high as 313 μmol L−1 h−1. In addition, the new reaction device could show long‐term stable H2O2 production. This work provides a novel method for the efficient preparation of H2O2, which may also stimulate further explorations on contact‐electrification‐induced chemistry process.
Self‐assembly Induced Enhanced Electrochemiluminescence of Copper Nanoclusters Using DNA Nanoribbon Templates
Authors: Ouyang Xiangyuan , Wu Yongli , Guo Linjie , Li Le , Zhou Mo , Li Xinyi , Liu Ting , Ding Yawen , Bu Huaiyu , Xie Gang , Shen Jianlei , Fan Chunhai , Wang Lihua 
Published: March 2023

AbstractCopper nanoclusters (CuNCs) are attractive electrochemiluminescence (ECL) emitters as Cu is comparatively inexpensive, nontoxic, and highly abundant. However, their ECL yield is relatively low. Herein, we report that orderly self‐assembly of CuNCs using DNA nanoribbon as the template (DNR/CuNCs) conferred the CuNCs with improved ECL properties compared with individual CuNCs in both annihilation and co‐reactant processes. The DNR/CuNCs resulted in a high ECL yield of 46.8 % in K2S2O8, which was ≈68 times higher than that of individual CuNCs. This strategy was successfully extended to other ECL emitters, such as gold nanoclusters and the Ru(bpy)32+/TPrA system. Furthermore, as an application of DNR/CuNCs, a DNR/CuNC‐based ECL biosensor with higher sensitivity was constructed for dopamine determination (two orders of magnitude lower than that previously reported), showing that DNR/CuNCs have a potential for application in ECL bioanalysis as a new type of superior luminophore candidate.
Virtual endocasts of Clevosaurus brasiliensis and the tuatara: Rhynchocephalian neuroanatomy and the oldest endocranial record for Lepidosauria
Authors: Roese‐Miron Lívia , Jones Marc Emyr Huw , Ferreira José Darival , Hsiou Annie Schmaltz 
Published: March 2023

AbstractUnderstanding the origins of the vertebrate brain is fundamental for uncovering evolutionary patterns in neuroanatomy. Regarding extinct species, the anatomy of the brain and other soft tissues housed in endocranial spaces can be approximated by casts of these cavities (endocasts). The neuroanatomical knowledge of Rhynchocephalia, a reptilian clade exceptionally diverse in the early Mesozoic, is restricted to the brain of its only living relative, Sphenodon punctatus, and unknown for fossil species. Here, we describe the endocast and the reptilian encephalization quotient (REQ) of the Triassic rhynchocephalian Clevosaurus brasiliensis and compare it with an ontogenetic series of S. punctatus. To better understand the informative potential of endocasts in Rhynchocephalia, we also examine the brain‐endocast relationship in S. punctatus. We found that the brain occupies 30% of its cavity, but the latter recovers the general shape and length of the brain. The REQ of C. brasiliensis (0.27) is much lower than S. punctatus (0.84–1.16), with the tuatara being close to the mean for non‐avian reptiles. The endocast of S. punctatus is dorsoventrally flexed and becomes more elongated throughout ontogeny. The endocast of C. brasiliensis is mostly unflexed and tubular, possibly representing a more plesiomorphic anatomy in relation to S. punctatus. Given the small size of C. brasiliensis, the main differences may result from allometric and heterochronic phenomena, consistent with suggestions that S. punctatus shows peramorphic anatomy compared to Mesozoic rhynchocephalians. Our results highlight a previously undocumented anatomical diversity among rhynchocephalians and provide a framework for future neuroanatomical comparisons among lepidosaurs.
Optimized synthesis and pharmacological evaluation of HCN channel inhibitor EC18
Authors: Patberg Marius , Oniani Tengiz , Disse Paul , Peischard Stefan , Vinnenberg Laura , Zobeiri Mehrnoush , Romanelli Maria N. , Epping Lisa , Wiendl Heinz , Meuth Sven G. , Hundehege Petra , Seebohm Guiscard , Budde Thomas , Junker Anna 
Published: March 2023

AbstractHCN4 channels are considered to be a promising target for cardiac pathologies, epilepsy, and multiple sclerosis. However, there are no subtype‐selective HCN channel blockers available, and only a few compounds are reported to display subtype preferences, one of which is EC18 (cis‐1). Herein, we report the optimized synthetic route for the preparation of EC18 and its evaluation in three different pharmacological models, allowing us to assess its activity on cardiac function, thalamocortical neurons, and immune cells.
Disparities in stage at diagnosis among breast cancer molecular subtypes in China
Authors: Zeng Hongmei , Wu Siqi , Ma Fei , Ji John S. , Lu Lingeng , Ran Xianhui , Shi Jin , Li Daojuan , An Lan , Zheng Rongshou , Zhang Siwei , Chen Wanqing , Wei Wenqiang , He Yutong , He Jie 
Published: March 2023

AbstractBackgroundDisease stage at diagnosis and molecular subtypes are the main determinants of breast cancer treatment strategies and prognosis. We aimed at examining the disparities and factors associated with the stage at diagnosis among the molecular subtypes in breast cancer patients in China.MethodsWe identified patients with first primary breast cancer diagnosed between January 1, 2016, and December 31, 2017, from 23 hospitals in 12 provinces in China. We analyzed the proportion of non‐early‐stage (stages II–IV) breast cancer cases based on the family history of breast cancer, body mass index (BMI), insurance status, and molecular subtypes. Multivariable analyses were used to estimate the factors associated with non‐early‐stage diagnosis among the molecular subtypes. We further compared these estimates with that in the United States using the Surveillance, Epidemiology, and End Results database.ResultsA total of 9398 Chinese were identified with first primary invasive breast cancer. Of the 8767 patients with known stages, the human epidermal growth factor receptor 2 (HER2)‐enriched subtype had the highest proportion of stages II–IV (76.6%) patients, followed by triple‐negative breast cancer (73.2%), luminal B (69.9%), and luminal A (62.3%). The percentage of non‐early‐stage patients was higher in women with overweight or obesity than in those with a body mass index (BMI) <25 kg/m2 (adjusted odds ratio [OR] 1.3, 95% confidence interval (CI) 1.1–1.4). Patients with a family history of breast cancer had a higher likelihood of early‐stage (adjusted OR 0.7, 0.5–0.8) breast cancer. Patients with rural insurance had a substantially higher risk of non‐early‐stage disease than those with urban insurance (adjusted OR 1.8, 1.4–2.2). Regarding the subtype, being overweight/obese only increased the risk of non‐early‐stage in luminal A breast cancer. Compared with the United States, China had a higher proportion of non‐early‐stage breast cancer for all subtypes, with the largest gap in luminal A (adjusted OR 2.2, 95% CI 2.0–2.4).ConclusionThe wide disparities in stage at breast cancer diagnosis imply that China urgently needs to improve early breast cancer diagnosis and health equity.
Artemisia Capillaris Leaf Extract as Corrosion Inhibitor for Q235 Steel in HCl Solution and its Synergistic Inhibition Effect with L‐Cysteine
Authors: Zhang Mingming , Chen Yujuan , Liu Lihong , Zhuo Kelei 
Published: March 2023

AbstractArtemisia capillaris leaf extract (ACLE) for corrosion inhibition of Q235 steel at 25–65 °C in 1 m HCl was analyzed by weight loss measurements, electrochemical tests, and quantum chemical calculations. Ultra‐high‐resolution electro‐spray time‐of‐flight mass spectrometry was used to determine the major components in ACLE. The results show that ACLE has an obvious corrosion inhibition effect. At 10 g L−1 of ACLE, the corrosion inhibition efficiency can reach 99 % at 25 °C, but the inhibition efficiency decreases with the increase of temperature. Caffeic acid (0.55 wt % in ACLE) is speculated to be a major effective corrosion inhibition component in ACLE. The adsorption of active molecules in ACLE on the Fe surface may involve both physisorption and chemisorption, and however it may incline to physisorption. The adsorption of ACLE on the Q235 steel surface is a spontaneous process and conforms to the Langmuir adsorption isotherm model. The presence of ACLE can obviously increase the apparent activation energy of the dissolution reaction of iron. The combination of ACLE and L‐cysteine has a preferable synergistic inhibition effect, with the optimal mass ratio of ACLE and L‐cysteine of 7 : 3 at 25 °C. This work may provide an alternative strategy for the corrosion inhibition of metals via the synergistic effect of plant extracts with other inhibitors.
Flame‐Retardant Additive/Co‐Solvent Contained in Organic Solution for Safe Second Batteries: A Review
Authors: Zhu Dandan , Ren Yanbiao , Yu Yanxin , Zhang Lincai , Wan Yuqin , Wang Hongyu , Gao Wentong , Han Bing , Zhang Lei 
Published: March 2023

AbstractWith the increased demands of energy density boosting the electrochemical performance of the rechargeable alkali metal ion batteries, the safe operation of second batteries is attracting much attention and needs to be especially considered during their further development, which is essential in view of the well‐known fire incidents of the lithium‐ion batteries. These dangerous events in the lithium‐ion batteries are as a consequence of the exothermic chemical reactions between the flammable carbonate‐based solutions and the electrode active material under the terrible working conditions. Under this circumstance, some series of flame‐retardant organic liquid‐based solutions have demonstrated the potential towards safer rechargeable batteries with the minimal injurious or the advantageous effect on the batteries’ performance. This article reviews the flame‐retardant organic liquid‐based solutions for the rechargeable batteries, providing the reader with an overview of the safe solutions with flame‐retardant additive/co‐solvent involving trimethyl phosphate and its derivative, P‐containing amide/phosphazene, all fluorinated solvent, and ionic liquids, in which the method of adapting concentrated and locally concentrated electrolyte solution are merged in the text content. Moreover, the functionality and purpose of the constituents in some flame‐retardant mixtures are discussed and many flame‐retardant electrolyte solutions are displayed to offer improved cycling and rate performance of different electrodes compared to traditional electrolyte solutions.
Functional Characterisation of Highly Conserved and Structurally Prominent Residues of 2‐Methylisoborneol Synthase
Authors: Gu Binbin , Dickschat Jeroen S. 
Published: March 2023

Abstract2‐Methylisoborneol is a widespread musty odourant that is produced by many bacteria including actinomycetes, cyanobacteria and myxobacteria. Two 2‐methylisoborneol synthases (MIBS) that are phylogenetically distant to the known enzyme from Streptomyces coelicolor were found to be highly active for 2‐methylisoborneol biosynthesis. Based on the enzyme structure and on an amino acid sequence alignment, the MIBS from S. coelicolor was extensively studied through site‐directed mutagenesis.
Pd‐Catalyzed Asymmetric Allylic C—H Functionalization
Authors: Wang Pu‐Sheng , Gong Liu‐Zhu 
Published: March 2023

Comprehensive SummaryPd‐catalyzed asymmetric allylic C—H functionalization has emerged as a powerful tool to access chiral, densely functionalized molecules from easily accessible alkenes, enabling the increase of the step‐ or atom‐economy by minimizing functional group manipulations for preparing allylating reagents. Due to the inadequacy of stereoselection strategies, the asymmetric allylic C—H functionalization is still in the early stage. In this essay, we will describe our journey to identification of asymmetric catalytic systems, mechanism of allylic C—H activation, control of stereo‐ and regioselectivity, and applications in asymmetric synthesis.What is the most favorite and original chemistry developed in your research group?The establishment of asymmetric organo/transition‐metal cooperative catalysis to enable enantioselective reactions.How do you get into this specific field? Could you please share some experiences with our readers?We initially attempted to expand the chiral enamine/Pd cooperative catalysis to create asymmetric allylic C—H alkylation of α‐olefins. Although this idea turned out to be unsuccessful, we finally accomplished an asymmetric allylic C—H alkylation of allylarenes enabled by cooperative catalysis of achiral amine, chiral phosphoric acid and palladium, marking a starting point to deeply get involved in this field.How do you supervise your students?I am basically strict with students in regulation and technique, but respect them very much. They are always my co‐workers and have equal authority in chemistry if they like.What is the most important personality for scientific research?Hardworking and critical thinking always pay off.	What are your hobbies? What's your favorite book(s)?I have ever enjoyed learning martial arts and playing basketball, but now enjoy reading history books.Who influences you mostly in your life?So many people influence me so much in my life, it's really hard to say who mostly does. I heard the story of Hua Loo‐Keng (Hua Luo‐Geng), an eminent mathematician, in my childhood and his legend always motivates me to keep working hard.What is your favorite journal(s)?So many journals I keep reading every day, if I have to say, J. Am. Chem. Soc. may be my favorite, because it publishes, so far, my most representative work. Of course, Chin. J. Chem. is among the favorite journals.Could you please give us some advices on improving Chinese Journal of Chemistry?Keep disseminating the journal in international community and improve the diversity in authorship and contents to make it really international.
Safe experimentation – experiments with corrosive substances and mixtures
Authors: Klemeyer Horst 
Published: March 2023

AbstractSchülerversuche mit ätzenden Stoffen und Gemischen gehören zum Standardrepertoire des experimentellen Chemieunterrichts. Es ist zur Minimierung der Stoffgefahren deshalb besonders wichtig, dass die entsprechenden Versuchsvorschriften durch systematische Substitutionsprüfungen sicherheitsgerecht optimiert werden. Da für diese Prüfung nur im unzureichenden Umfang Informationen aus der GHS‐Kennzeichnung und aus den Versuchsvorschriften der DEGINTU‐Datenbank zur Verfügung stehen, sind dafür weitere Online‐Datenbanken und Online‐Berechnungen notwendig. Es wird an Beispielen von Laugen und Säuren aufgezeigt, welche Aspekte bei der Bestimmung der Gefahrenhöhen und der sich anschließenden Substitutionsprüfung wichtig sind und wie dafür die online Hilfen genutzt werden können. Als saure Katalysatoren sind Zeolit vom ZSM‐5 Typ und Dikaliumdisulfat besonders geeignet.
Clinical and economic outcomes of pharmacological stress tests in patients with a history of COVID‐19
Authors: Skali Hicham , Walker David , Jiang Jeanette , Gurumoorthy Giridharan , Davies Kalatu , Kimura Tomomi 
Published: March 2023

AbstractBackgroundDespite millions of COVID‐19 cases in the United States, it remains unknown whether a history of COVID‐19 infection impacts the safety of pharmacologic myocardial perfusion imaging stress testing (pharmacologic MPI).HypothesisThe aim of this study was to assess if a prior COVID‐19 infection was associated with a higher risk of complications during and following pharmacologic MPI testing.MethodsThis retrospective cohort analysis included 179 803 adults (≥18 years) from the PharMetrics® Plus claims database who underwent pharmacologic MPI between March 1, 2020 and February 28, 2021. Patients with a history of COVID‐19 infection (COVID‐19 group) were compared with propensity‐score matched no‐COVID‐19 history group for reversal agent use, 30‐day resource use, and post‐MPI cardiac events/procedures.ResultsThe most commonly used stress agent was regadenoson (91.7%). The COVID‐19 group (n = 6372; 3.5%) had slightly higher: reversal agent use (difference 1.13% [95% confidence interval [CI]: 0.33, 1.92]), all‐cause costs (difference USD $128 [95% CI: $73–$181]), and office visits (81.5% vs. 77.0%) than the no‐COVID‐19 group. Prior COVID‐19 infection did not appear to impact subsequent cardiac events/procedures.ConclusionsCOVID‐19 history was associated with slightly higher reversal agent use, all‐cause costs, and office visits after pharmacologic MPI; however, the differences were not clinically meaningful. Concerns for use of stress agents in patients with prior COVID‐19 do not appear to be warranted.