bluuebunny/crossref_metadata_2025_split huggingface dataset:
Boosting Fe Cationic Vacancies with Graphdiyne to Enhance Exceptional Pseudocapacitive Lithium Intercalation
Authors: Gao Jingchi , Yan Xingru , Huang Changshui , Zhang Zhihui , Fu Xinlong , Chang Qian , He Feng , Li Meiping , Li Yuliang 
Published: July 2023

AbstractModulating the electronic structure of electrode materials at atomic level is the key to controlling electrodes with outstanding rate capability. On the basis of modulating the iron cationic vacancies (IV) and electronic structure of materials, we proposed the method of preparing graphdiyne/ferroferric oxide heterostructure (IV‐GDY‐FO) as anode materials. The goal is to motivate lithium‐ion batteries (LIBs) toward ultra‐high capacity, superior cyclic stability, and excellent rate performance. The graphdiyne is used as carriers to disperse Fe3O4 uniformly without agglomeration and induce high valence of Fe with reducing the energy in the system. The presence of Fe vacancy could regulate the charge distribution around vacancies and adjacent atoms, leading to facilitate electronic transportation, enlarge the lithium‐ion diffusion, and decrease Li+ diffusion barriers, and thus displaying significant pseudocapacitive process and advantageous lithium‐ion storage. The optimized electrode IV‐GDY‐FO reveals a capacity of 2084.1 mAh g−1 at 0.1 C, superior cycle stability and rate performance with a high specific capacity of 1057.4 mAh g−1 even at 10 C.
Correlating Metal Redox Potentials to Co(III)K(I) Catalyst Performances in Carbon Dioxide and Propene Oxide Ring Opening Copolymerization
Authors: Lindeboom Wouter , Deacy Arron C. , Phanopoulos Andreas , Buchard Antoine , Williams Charlotte K. 
Published: July 2023

AbstractCarbon dioxide copolymerization is a front‐runner CO2 utilization strategy but its viability depends on improving the catalysis. So far, catalyst structure‐performance correlations have not been straightforward, limiting the ability to predict how to improve both catalytic activity and selectivity. Here, a simple measure of a catalyst ground‐state parameter, metal reduction potential, directly correlates with both polymerization activity and selectivity. It is applied to compare performances of 6 new heterodinuclear Co(III)K(I) catalysts for propene oxide (PO)/CO2 ring opening copolymerization (ROCOP) producing poly(propene carbonate) (PPC). The best catalyst shows an excellent turnover frequency of 389 h−1 and high PPC selectivity of >99 % (50 °C, 20 bar, 0.025 mol% catalyst). As demonstration of its utility, neither DFT calculations nor ligand Hammett parameter analyses are viable predictors. It is proposed that the cobalt redox potential informs upon the active site electron density with a more electron rich cobalt centre showing better performances. The method may be widely applicable and is recommended to guide future catalyst discovery for other (co)polymerizations and carbon dioxide utilizations.
Katalytische Alkin‐Semihydrierung mit Polyhydrid‐Ni/Ga‐Clustern
Authors: Muhr Maximilian , Liang Hao , Allmendinger Lars , Bühler Raphael , Napoli Fabrizio E. , Ukaj Dardan , Cokoja Mirza , Jandl Christian , Kahlal Samia , Saillard Jean‐Yves , Gemel Christian , Fischer Roland A. 
Published: July 2023

AbstractDer bimetallische, dekanukleare Ni3Ga7‐Cluster [Ni3(GaTMP)3(μ2‐GaTMP)3(μ3‐GaTMP)] (1, TMP=2,2,6,6‐ Tetramethylpiperidinyl) reagiert reversibel mit Wasserstoff unter Bildung einer Reihe von (Poly‐)Hydridclustern 2. Tieftemperatur‐2D NMR‐Experimente bei −80 °C zeigen, dass 2 aus einem Gemisch von Di‐ (2Di), Tetra‐ (2Tetra) und Hexahydrid‐Spezies (2Hexa) besteht. Die Strukturen von 2Di und 2Tetra werden durch eine Kombination aus 2D NMR‐Spektroskopie und DFT‐Berechnungen untersucht. Das Zusammenspiel beider Metalle ist für die hohe Wasserstoffinkorperierung des Clusters entscheidend. Die Polyhydride 2 sind bei der Semihydrierung von 4‐Octin zu 4‐Octen bei guter Selektivität katalytisch aktiv. Bei 2 handelt es sich um die erste Spezies ihrer Art, die die Eigenschaften von molekularen, atomgenauen Übergangsmetall‐/Hauptgruppenmetallclustern konzeptionell mit der entsprechenden Festkörperphase in der Katalyse verbindet.
Bulk‐Phase Reconstruction Enables Robust Zinc Metal Anodes for Aqueous Zinc‐Ion Batteries
Authors: Yang Zefang , Hu Chao , Zhang Qi , Wu Tingqing , Xie Chunlin , Wang Hao , Tang Yougen , Ji Xiaobo , Wang Haiyan 
Published: July 2023

AbstractAqueous zinc‐ion batteries are inherently safe, but the severe dendrite growth and corrosion reaction on zinc anodes greatly hinder their practical applications. Most of the strategies for zinc anode modification refer to the research of lithium metal anodes on surface regulation without considering the intrinsic mechanisms of zinc anode. Herein, we first point out that surface modification cannot permanently protect zinc anodes due to the unavoidable surface damage during the stripping process by solid–liquid conversion. A bulk‐phase reconstruction strategy is proposed to introduce abundant zincophilic sites both on the surface and inside the commercial zinc foils. The bulk‐phase reconstructed zinc foil anodes exhibit uniform surfaces with high zincophilicity even after deep stripping, significantly improving the resistance to dendrite growth and side reactions. Our proposed strategy suggests a promising direction for the development of dendrite‐free metal anodes for practical rechargeable batteries with high sustainability.
Reverse takotsubo cardiomyopathy induced by adrenaline‐containing irrigation solution during shoulder arthroscopy*
Authors: Azem K. , Kaplan O. , Zribi B. , Elliston J. , Mangoubi E. , Orvin K. , Fein S. 
Published: July 2023

SummaryTakotsubo cardiomyopathy is characterised by reversible systolic dysfunction resulting from catecholamine‐induced vasospasm, mainly triggered by intense emotional or physical stress. Adding adrenaline to arthroscopic irrigation solution enhances visibility by minimising bleeding. However, there is a risk of complications due to systemic absorption. Several severe cardiac consequences have been described. Here, we present a case of a patient who underwent elective shoulder arthroscopy involving an adrenaline‐containing irrigation solution. Forty‐five minutes after surgery began, he developed ventricular arrhythmias with hemodynamic instability, necessitating vasopressor support. Bedside transthoracic echocardiography revealed severe left ventricular dysfunction with basal ballooning, and emergent coronary angiography revealed normal coronary arteries. These findings correspond to a reverse variant of takotsubo cardiomyopathy. The patient was transferred to the intensive cardiac care unit sedated, ventilated and hemodynamically supported. Three days following the procedure, he was successfully weaned from vasopressors and mechanical ventilation. Transthoracic echocardiography 3 months after surgery demonstrated complete left ventricular function recovery. Although complications due to adrenaline‐containing irrigation solutions are rare, a growing body of case reports should prompt consideration of the safety of this practice.
Study of thermal transitions of copolymers based on N‐isopropylacrylamide and acrylic acid with potential for curcumin controlled release
Authors: Ramírez‐Irigoyen Andya J. , García‐Verdugo Karla F. , Castillo‐Ortega María Mónica , Rodríguez‐Félix Dora E. , Encinas José Carmelo , Plascencia‐Jatomea Maribel , Argüelles‐Monal Waldo , Sauceda Irela Santos , Pérez‐González Refugio , del Castillo‐Castro Teresa 
Published: July 2023

AbstractThermosensitive polymers based on poly(N‐isopropylacrylamide) (pNIPAM) have been widely evaluated in a variety of biomedical applications due to their particular thermal behavior in aqueous solutions. Despite this, few works have focused on the complementary analysis of the thermal transitions of pNIPAM polymers in linear and crosslinked form. In this work, linear and crosslinked poly(N‐isopropylacrylamide‐co‐acrylic acid) p(NIPAM‐co‐AA) copolymers were synthesized at similar NIPAM/AA feed composition and their thermosensitive behavior was studied by turbidimetric methods, FTIR spectroscopy analysis, and temperature‐dependent swelling measurements. The intermolecular crosslinking hindered the hydrophobic aggregation of chain segments, leading to higher transition temperatures of synthesized polymers. AA units promoted the intersegment hydrogen bonds during heating and strengthened the hydrogen bond interactions water‐network. The effect of the thermosensitive behavior of p(NIPAM‐co‐AA) copolymer on curcumin (CUR) release kinetic was also studied. The low uptake level of p(NIPAM‐co‐AA) hydrogel, partially shrunken at 37°C, produced a CUR sustained delivery, reaching the release equilibrium state up to 18 h. Hydrogels of p(NIPAM‐co‐AA) with a suitable composition exhibited a promising performance for the CUR controlled delivery at physiological conditions.
Zulässige Schienendruckkräfte für den Nachweis der Gleis‐Tragwerks‐Interaktion bei Fester Fahrbahn
Authors: Diers Johannes , Wenner Marc , Slovák Bohdana , Marx Steffen 
Published: July 2023

AbstractBeim modernen Oberbau mit lückenlos verschweißter Schiene entstehen auf Brücken durch die Interaktion mit dem Bauwerk höhere axiale Beanspruchungen der Schiene als auf dem Damm. Beim Schotteroberbau gilt es die Druckkräfte in der Schiene zu begrenzen, um Gleisverwerfungen zu vermeiden. Dazu wurden in den 1980er‐Jahren umfangreiche Untersuchungen durchgeführt, woraus ein Grenzwert für die zulässigen zusätzlichen Druckspannungen von 72 MPa definiert wurde. Bei der Festen Fahrbahn liegen jedoch keine Erfahrungen zum Verhalten unter großen Druckkräften vor und der erhöhte Grenzwert von 92 MPa beruht auf keiner wissenschaftlich nachvollziehbaren Basis. Für den Fall der EÜ Itztal auf der Neubaustrecke Ebensfeld–Erfurt konnte der Nachweis der zusätzlichen Druckspannungen mit dem Grenzwert von 92 MPa nicht erbracht werden. Um fallspezifisch einen neuen Grenzwert festlegen zu können, wurden Untersuchungen vorgenommen, die in diesem Aufsatz vorgestellt werden. Das Verhalten des Systems unter großen Druckkräften wurde rechnerisch und experimentell untersucht. Für den Nachweis einer ausreichenden Sicherheit des Systems bei großen Schienendruckkräften wurden Grenzzustände festgelegt und für abgesicherte Einwirkungskombinationen nachgewiesen. Das Fallbeispiel zeigt die Reserven des Systems auf und legt eine mögliche Methode für eine grundsätzliche Überarbeitung des Grenzwerts der Schienendruckspannungen beim System Feste Fahrbahn vor.
Managing Cancer and Living Meaningfully (CALM) alleviates chemotherapy related cognitive impairment (CRCI) in breast cancer survivors: A pilot study based on resting‐state fMRI
Authors: Yao Senbang , Zhu Qinqin , Zhang Qianqian , Cai Yinlian , Liu Shaochun , Pang Lulian , Jing Yanyan , Yin Xiangxiang , Cheng Huaidong 
Published: July 2023

AbstractBackgroundChemotherapy related cognitive impairment (CRCI) is a type of memory and cognitive impairment induced by chemotherapy and has become a growing clinical problem. Breast cancer survivors (BCs) refer to patients from the moment of breast cancer diagnosis to the end of their lives. Managing Cancer and Living Meaningfully (CALM) is a convenient and easy‐to‐apply psychological intervention that has been proven to improve quality of life and alleviate CRCI in BCs. However, the underlying neurobiological mechanisms remain unclear. Resting‐state functional magnetic resonance imaging (rs‐fMRI) has become an effective method for understanding the neurobiological mechanisms of brain networks in CRCI. The fractional amplitude of low‐frequency fluctuations (fALFF) and ALFF have often been used in analyzing the power and intensity of spontaneous regional resting state neural activity.MethodsThe recruited BCs were randomly divided into the CALM group and the care as usual (CAU) group. All BCs were evaluated by the Functional Assessment of Cancer Therapy Cognitive Function (FACT‐Cog) before and after CALM or CAU. The rs‐fMRI imaging was acquired before and after CALM intervention in CALM group BCs. The BCs were defined as before CALM intervention (BCI) group and after CALM intervention (ACI) group.ResultsThere were 32 BCs in CALM group and 35 BCs in CAU group completed the overall study. There were significant differences between the BCI group and the ACI group in the FACT‐Cog‐PCI scores. Compared with the BCI group, the ACI group showed lower fALFF signal in the left medial frontal gyrus and right sub‐gyral and higher fALFF in the left occipital_sup and middle occipital gyrus. There was a significant positive correlation between hippocampal ALFF value and FACT‐Cog‐PCI scores.ConclusionsCALM intervention may have an effective function in alleviating CRCI of BCs. The altered local synchronization and regional brain activity may be correlated with the improved cognitive function of BCs who received the CALM intervention. The ALFF value of hippocampus seems to be an important factor in reflect cognitive function in BCs with CRCI and the neural network mechanism of CALM intervention deserves further exploration to promote its application.
Trityl‐Based Lanthanide‐Supramolecular Assemblies Exhibiting Slow Magnetic Relaxation
Authors: Marcinkowski Dawid , Kubicki Maciej , Patroniak Violetta , Muzioł Tadeusz , Chorazy Szymon , Shi Le , Zychowicz Mikołaj , Majcher‐Fitas Anna M. , Podgajny Robert , Gorczyński Adam 
Published: July 2023

AbstractThe triphenylmethane (trityl) group has been recognized as a supramolecular synthon in crystal engineering, molecular machine rotors and stereochemical chirality inductors in materials science. Herein we demonstrate for the first time how it can be utilized in the domain of molecular magnetic materials through shaping of single molecule magnet (SMM) properties within the lanthanide complexes in tandem with other non‐covalent interactions. Trityl‐appended mono‐ (HL1) and bis‐compartmental (HL2) hydrazone ligands were synthesized and complexated with Dy(III) and Er(III) triflate and nitrate salts to generate four monometallic (1–4) and two bimetallic (5, 6) complexes. The static and dynamic magnetic properties of 1–6 were investigated, revealing that only ligand HL1 induces assemblies (1–4) capable of showing SMM behaviour, with Dy(III) congeners (1, 2) able to exhibit the phenomenon also under zero field conditions. Theoretical ab initio studies helped in determination of Dy(III) energetic levels, magnetic anisotropic axes and corroborated magnetic relaxation mechanisms to be a combination of Raman and quantum tunnelling in zero dc field, the latter being cancelled in the optimum non‐zero dc field. Our work represents the first study of magneto‐structural correlations within the trityl Ln‐SMMs, leading to generation of slowly relaxing zero‐field dysprosium complexes within the hydrogen‐bonded assemblies.
Techno‐Economic Comparison of Bio‐Cycling Processes for Mixed Plastic Waste Valorization
Authors: Reifsteck Rafael A. , Zhai Song , Gausmann Marcel , Ballerstedt Hendrik , Tiso Till , Blank Lars M. , Jupke Andreas 
Published: July 2023

AbstractMixed plastic waste is challenging for any recycling process. Here, an enzymatic recycling process is compared with a biotechnological upcycling process for valorizing mixed plastic waste constituted by PLA, PET, and PP. Both process routes are modeled in Aspen Plus, analyzed for bottlenecks, cost drivers, and sensitivity regarding enzymatic and microbial performance. While enzymatic recycling is only viable for uniform plastic feedstock, biotechnological upcycling operating at optimized process conditions reveals the potential to produce carbon‐neutral succinic acid from mixed plastic waste.
Probabilistic estimation for across‐batch compatibility enhancement for amyloid PET
Authors: Bilgel Murat 
Published: July 2023

AbstractINTRODUCTIONIt is necessary to accurately account for systematic differences due to variability in scanners, radiotracers, and acquisition protocols in multisite studies combining amyloid imaging data.METHODSWe propose Probabilistic Estimation for Across‐batch Compatibility Enhancement (PEACE), a fully Bayesian multimodal extension of the widely used ComBat harmonization model, and we apply it to harmonize regional amyloid positron emission tomography data from two scanners.RESULTSSimulations show that PEACE recovers true harmonized values better than ComBat, even for unimodal data. PEACE harmonization of multiscanner regional amyloid imaging data yields results that agree better with longitudinal data compared to ComBat, without removing the known biological effects of age or apolipoprotein E genotype.DISCUSSIONPEACE outperforms ComBat in both unimodal and bimodal contexts, is applicable to multisite amyloid imaging data, and holds promise for the harmonization of other neuroimaging data over ComBat.HIGHLIGHTS
We introduce PEACE, a fully Bayesian multimodal extension of ComBat harmonization.
Simulations show that PEACE recovers true harmonized values better than ComBat.
PEACE accurately harmonizes multiscanner regional amyloid imaging data.
Oxidative C(sp3)−N Cleavage Cascade Cyclization of N‐Uracil Amidines and Tertiaryamines: Switchable Divergent Synthesis of Functionalized Pyrimidouracils and Dihydropyrimidouracils
Authors: Chen Longkun , Zhang Mingshuai , Liu Zhuoyuan , Liu Donghan , Sun Yulin , Wang Yongchao , Yu Fuchao 
Published: July 2023

AbstractThe divergent synthesis of dihydropyrimidouracil and pyrimidouracil derivatives from N‐uracil amidines and tertiaryamines by an oxidative C(sp3)−N cleavage cascade cyclization reaction is first described. This transformation enables the formation of new C(sp3)−N and C(sp2)−N bonds via the selection of different oxidation conditions. The features of this method include tunable product selectivity, excellent chemoselectivity, readily available starting materials, broad substrate scope, good tolerance of functional groups, and moderate to high yields.
Predicted Pharmacokinetic Interactions Between Hormonal Contraception and Single or Intermittently Dosed Rifampicin
Authors: Radtke Kendra K. , Hill Jeremy , Schoenmakers Anne , Mulder Christiaan , van der Grinten Emmy , Overbeek Floor , Salazar‐Austin Nicole , de Medeiros Cordeiro Nascimento Wilcare , van Brakel Wim , Weld Ethel 
Published: July 2023

AbstractThe scale‐up of rifampicin‐based prevention regimens is an essential part of the global leprosy strategy. Daily rifampicin may reduce the effectiveness of the oral contraceptive pill (OCP), but little is known about the effects of rifampicin at the less frequent dosing intervals used for leprosy prophylaxis. As many women of reproductive age rely on OCP for family planning, evaluating the interaction with less‐than‐daily rifampicin regimens would enhance the scalability and acceptability of leprosy prophylaxis. Using a semi‐mechanistic pharmacokinetic model of rifampicin induction, we simulated predicted changes in OCP clearance when coadministered with varying rifampicin dosing schedules. Rifampicin given as a single dose (600 or 1200 mg) or 600 mg every 4 weeks was not predicted to result in a clinically relevant interaction with OCP, defined as a >25% increase in clearance. Simulations of daily rifampicin were predicted to increase OCP clearance within the range of observed changes previously reported in the literature. Therefore, our findings suggest that OCP efficacy will be maintained when coadministered with rifampicin‐based leprosy prophylaxis regimens of 600 mg once, 1200 mg once, and 600 mg every 4 weeks. This work provides reassurance to stakeholders that leprosy prophylaxis can be used with OCP without any additional recommendations for contraception prevention.
Integrating patient‐centered caries management in dental education—A practical approach
Authors: Shabayek Mohamed , Warren John , Tinanoff Norman , Kolker Justine , Johnsen David 
Published: July 2023

AbstractCaries management is undergoing an evolution in dental education. This is part of a larger change in thinking focused on the person/patient as well as procedures to bring health to people. This perspective attempts to tell the story of the dental education culture regarding caries management from perspectives of evidence‐based care; caries as a disease of a person, not only a tooth; and the management of high‐risk and low‐risk individuals. Culturally and organizationally, the integration of basic, procedural, behavioral, and demographic perspectives for dental caries has happened at different rates for some decades. The involvement of students, teaching faculty, course directors, and administration is essential in this process.
Changes in trends of pediatric β‐ and γ‐herpesvirus infections during the COVID‐19 pandemic: A single‐center observational study
Authors: Kozawa Kei , Kawamura Yoshiki , Hattori Fumihiko , Miura Hiroki , Higashimoto Yuki , Ihira Masaru , Matsunaga Masaaki , Ota Atsuhiko , Yoshikawa Tetsushi 
Published: July 2023

AbstractNonpharmaceutical interventions (NPIs) to control COVID‐19 have decreased the incidence of many pediatric infectious diseases. The epidemiology of β‐ and γ‐herpesvirus infections might have been affected by NPIs. The aim of this study was to elucidate changes in trends in β‐ and γ‐herpesvirus infections and complex febrile seizures (cFS) of viral etiology before and during the COVID‐19 pandemic. Between April 2017 and March 2021, febrile children aged ≤5 years were enrolled. Detection of EBV, CMV, HHV‐6B, and HHV‐7 DNA in serum was performed using real‐time PCR. The epidemiology of viral infections and cFS were compared between the prepandemic and pandemic periods. During the observation period, 1432 serum samples were collected. The mean number of febrile children decreased during the pandemic period, but the number of patients with HHV‐6B infection increased from 35 (9.3% of all febrile children) per year before the pandemic to 43 (15.5%) during the pandemic. The change in the proportion of patients with primary HHV‐6B infection was 6.50% (95% confidence interval [CI], 2.05%–11.3%; p = 0.0047). The mean number of patients with cFS decreased during the pandemic period, but the number of patients with HHV‐6B–associated cFS was stable throughout the observation period. Therefore, the change in proportion of patients with cFS caused by primary HHV‐6B infection was 49.5% (95% CI, 12.2%–60.5%; p = 0.0048). The disease burden of primary HHV‐6B infection among patients in the emergency room remained unchanged, with a significant increase in the relative proportion after the COVID‐19 pandemic began.