bluuebunny/crossref_metadata_2025_split huggingface dataset:
Intermolecular Assembly of Dual Hydrogen Bonding Regio‐Isomers Generates High‐Performance AIE Probes
Authors: Xu Ziwei , Zhang Bingling , Chen Shusen , Zou Xudong , Lin Yanhong , Gong Chenxing , Yin Xiong , James Tony D. , Zhou Xiaole , Wang Leyu 
Published: August 2024

AbstractRegio‐isomers are utilized to design innovative AIE luminogens (AIEgens) by regulating molecular aggregation behavior. However, relevant examples are limited, and the underlying mechanism is not fully understood. Herein, a regio‐isomer strategy is used to develop AIEgens by precisely regulating the intermolecular interactions in the solid state. Among the regio‐isomers it is investigated, ortho‐ isomer (DCM‐O3‐O7) exhibits enhanced AIE‐activity than the para‐ isomer (DCM‐P6), and the size of the ortho‐ substituents is crucial for the AIE performance. The underlying mechanism of the strategy is revealed using DFT calculations and single‐crystal analysis. Dual hydrogen bonds (C─H∙∙∙π and C─H∙∙∙N) are generated between the molecules, which contributes to form dimers, tetramers, and 1D supramolecular structures in the crystal. By restricting intramolecular motion and attenuating π–π interactions, solid‐state fluorescence is significantly enhanced. This strategy's effectiveness is validated using other donor–acceptor fluorophores, with DCM‐O6 and its analogues serving as efficient probes for bioimaging applications. Notably, DCM‐OM, which bears a morpholinyl instead of piperidinyl group, displayed strong lysosome‐targeting ability and photostability; DCM‐OP, incorporated by the hydrophilic quaternary ammonium group, exhibited wash‐free imaging and cell membrane‐targeting capabilities; and DCM‐O6 nanoparticles enabled high‐fidelity in vivo tumor imaging. Therefore, this strategy affords a general method for designing bright AIEgens.
Design of Localized High Concentration Electrolytes for Fast‐Charging Lithium‐Ion Batteries
Authors: Ober Seamus , Manthiram Arumugam 
Published: August 2024

AbstractLocalized high‐concentration electrolytes (LHCEs) have emerged as a promising class of electrolytes to improve the cycle life and energy density of lithium‐ion batteries (LIBs). While their application in batteries with lithium‐metal anodes is extensively investigated, their behavior in systems with graphite anodes has received less research attention. Herein, the behaviors of four electrolytes in Graphite | LiNiO2 cells are compared. By systematically varying the electrolyte compositions, the impacts of the solvation structure, solvent composition, and salt composition of LHCEs are identified on the rate capability, stability, and propensity for lithium plating in LIB full‐cells. It is found that while the solvation structure and solvent composition each play an important role in determining rate capability, the substitution of LiPF6 salt with LiFSI maximizes the rate capability and suppresses irreversible lithium plating. It is now demonstrated via constant‐potential cycling, that an appropriately formulated LHCE can, therefore, maintain high reversible capacity and safety under arbitrarily fast charging conditions.
Enhanced recovery after surgery and intestinal obstruction: A scoping review
Authors: Buhl Marie Sin Ae , Jaensch Claudia , Madsen Anders Husted 
Published: August 2024

AbstractBackgroundAcute intestinal obstruction is a blockage of the intestine which causes a range of clinical symptoms such as acute and severe abdominal pain, nausea, and obstipation. Intestinal obstruction is a medical emergency and can be life‐threatening when left untreated. In cases where treatment involves emergency abdominal surgery, a multimodal perioperative care pathway (enhanced recovery after surgery ERAS) has shown to accelerate patient recovery after surgery, reduce hospital length of stay, and improve overall outcomes.The objective of this scoping review was to identify and synthesize the existing evidence regarding the implementation of ERAS components with a focus on postoperative components in patients undergoing surgery for acute intestinal obstruction.MethodsThis scoping review followed the preferred reporting items for systematic reviews and meta‐analysis extension for scoping reviews framework. PubMed‐Medline and Embase database were searched.ResultsThe search identified 1860 studies of which 16 were included in the final analysis. All the studies were quantitative. Eleven studies used 10 or more ERAS interventions (range 10–28). The most common interventions were multimodal systemic analgesia, and the least common were the management of blood glucose and screening tools.ConclusionThis scoping review found that 56% (n = 9/16) of the identified studies used 10 or more ERAS interventions out of a possible 35. This review highlighted the need for studies on the ERAS emergency laparotomy guidelines.
Novel CDKL5 targets identified in human iPSC-derived neurons
Authors: Massey Sean , Ang Ching-Seng , Davidson Nadia M. , Quigley Anita , Rollo Ben , Harris Alexander R. , Kapsa Robert M. I. , Christodoulou John , Van Bergen Nicole J. 
Published: August 2024

AbstractCDKL5 Deficiency Disorder (CDD) is a debilitating epileptic encephalopathy disorder affecting young children with no effective treatments. CDD is caused by pathogenic variants in Cyclin-Dependent Kinase-Like 5 (CDKL5), a protein kinase that regulates key phosphorylation events in neurons. For therapeutic intervention, it is essential to understand molecular pathways and phosphorylation targets of CDKL5. Using an unbiased phosphoproteomic approach we identified novel targets of CDKL5, including GTF2I, PPP1R35, GATAD2A and ZNF219 in human iPSC-derived neuronal cells. The phosphoserine residue in the target proteins lies in the CDKL5 consensus motif. We validated direct phosphorylation of GTF2I and PPP1R35 by CDKL5 using complementary approaches. GTF2I controls axon guidance, cell cycle and neurodevelopment by regulating expression of neuronal genes. PPP1R35 is critical for centriole elongation and cilia morphology, processes that are impaired in CDD. PPP1R35 interacts with CEP131, a known CDKL5 phospho-target. GATAD2A and ZNF219 belong to the Nucleosome Remodelling Deacetylase (NuRD) complex, which regulates neuronal activity-dependent genes and synaptic connectivity. In-depth knowledge of molecular pathways regulated by CDKL5 will allow a better understanding of druggable disease pathways to fast-track therapeutic development.
Sammeln oder Simulieren? Eine vergleichende Evaluation zwischen Einsatzbegleitung und Einsatzsimulationen unter Teilnehmenden an NaSim25-Kursen
Authors: Schröder H. , Beierle S. , Felzen M. , Beckers S. K. , Müller A. , Walter U. , Follmann A. 
Published: August 2024

Zusammenfassung
Hintergrund
Der Erwerb der Zusatzbezeichnung Notfallmedizin mit einem Einsatzpraktikum von 50 begleiteten Einsätzen ist bei den meisten Landesärztekammern Mindestvoraussetzung für die Notarztqualifizierung. Auch strukturierte Simulationen in NaSim25-Kursformaten werden als Ersatz für 25 dieser Einsätze anerkannt.

Methoden
Die Arbeit vergleicht die in Praktika begleiteten mit in Kursen simulierten Notarzteinsätzen sowie die (Selbst‑)Einschätzung und den Wissenszuwachs der Teilnehmenden vor und nach Kursteilnahme. Mittels Prä-post-Befragung an insgesamt 5 Kursstandorten wurden Vergleichskriterien der gesammelten und simulierten Einsätze, die Selbsteinschätzung (Likert-Skala 1–6) sowie exemplarisch das Fachwissen (Punktescore) der Teilnehmenden erfasst. Primäre Zielparameter waren Schweregrad des Notfalls (NACA-Score), investierter Zeitaufwand (Minuten) sowie beobachtete oder durchgeführte notfallmedizinische Fertigkeit (Art & Anzahl).

Ergebnisse
Insgesamt konnten 141 zugeordnete Prä- und Postfragebögen in die Studie einbezogen werden. Vor der Kursteilnahme wurden im Mittel bereits 23 Einsätze mit einem Zeitaufwand von 3,2 h (SD ± 2,4) pro Einsatz an einem Notarztstandort begleitet. 15,6 % der gesammelten Einsätze wurden mit einem NACA-Score ≥4 bewertet, und (invasive) Maßnahmen wurden häufiger beobachtet als selbst durchgeführt. In der (Selbst‑)Einschätzung zeigte sich eine signifikante Zunahme: Teilnehmende fühlten sich besser auf die Notarzttätigkeit vorbereitet und schätzen Simulation als Ersatz für das Einsatzpraktikum höher ein.

Schlussfolgerung
Simulierte Notarzteinsätze sind zeiteffizienter als im Einsatzpraktikum begleitete Einsätze. Die Selbsteinschätzung der zukünftigen Notärzt*innen konnte positiv bestärkt und das Wissen gesteigert werden. Simulation sollte das Einsatzpraktikum nicht vollständig ersetzen.
Conjunct applicability of MCDM-based machine learning algorithms in mapping the sediment formation potential
Authors: Nasiri Khiavi Ali , Tavoosi Mohammad , Kamari Yekdangi Faezeh , Sadikhani Mahmoodreza , Kuriqi Alban 
Published: August 2024

AbstractThis study evaluates the applicability of multicriteria decision-making (MCDM) methods, including SAW, VIKOR, TOPSIS, and Condorcet algorithm based on game theory and machine learning algorithms (MLAs) including K-nearest neighbor, Naïve Bayes, Random Forest (RF), simple linear regression and support vector machine in spatial mapping of sediment formation potential in Talar watershed, Iran. In the first approach, MCDM was used, including SAW, VIKOR, TOPSIS, and Condorcet’s algorithm based on game theory. To this end, a decision matrix for MCDM was first created based on the factors affecting sediment formation potential. In the next step, various MLAs were used to construct a distribution map of sediment formation potential. Finally, a distribution map of sediment formation potential was constructed in very low to very high classes. The summary of the results of prioritizing sub-basins based on sediment formation potential using multi-criteria decision-making methods showed that sub-basin SW12 had the highest sediment formation potential based on VIKOR, TOPSIS, and Condorcet methods. The results of sediment formation potential modeling using different machine learning algorithms showed that based on the values of error statistics, the algorithm RF with the values MAE = 0.032, MSE = 0.024, RMSE = 0.155, and AUC = 0.930 was selected as the most optimal algorithm. On the other side, the correlation matrix and Taylor diagram (Figs. 10 and 11) also showed that RF algorithm modeling with the slope factor had the highest correlation with a value of 0.84. Also, the LS factor with a correlation coefficient of 0.65 after slope had the highest correlation with the RF model in sediment formation modeling. The sediment formation potential map based on the RF algorithm shows that the amount of sediment increases from the downstream to the upstream side of the Talar watershed.
A study of “left against medical advice” emergency department patients: an optimized explainable artificial intelligence framework
Authors: Ahmed Abdulaziz , Aram Khalid Y. , Tutun Salih , Delen Dursun 
Published: August 2024

AbstractThe issue of left against medical advice (LAMA) patients is common in today’s emergency departments (EDs). This issue represents a medico-legal risk and may result in potential readmission, mortality, or revenue loss. Thus, understanding the factors that cause patients to “leave against medical advice” is vital to mitigate and potentially eliminate these adverse outcomes. This paper proposes a framework for studying the factors that affect LAMA in EDs. The framework integrates machine learning, metaheuristic optimization, and model interpretation techniques. Metaheuristic optimization is used for hyperparameter optimization-one of the main challenges of machine learning model development. Adaptive tabu simulated annealing (ATSA) metaheuristic algorithm is utilized for optimizing the parameters of extreme gradient boosting (XGB). The optimized XGB models are used to predict the LAMA outcomes for patients under treatment in ED. The designed algorithms are trained and tested using four data groups which are created using feature selection. The model with the best predictive performance is then interpreted using the SHaply Additive exPlanations (SHAP) method. The results show that best model has an area under the curve (AUC) and sensitivity of 76% and 82%, respectively. The best model was explained using SHAP method.
Increasing survivors of anthracycline-related cardiomyopathy with breast cancer in trastuzumab era: thirty-one-year trends in a Japanese Community
Authors: Watanabe Mitsuhiro , Fujiki Shinya , Okura Yuji , Toshikawa Chie , Ikarashi Mayuko , Kanbayashi Chizuko , Kaneko Koji , Kikuchi Akira , Sakata Eiko , Tsuchida Keiichi , Ozaki Kazuyuki , Moro Kazuki , Kubota Naoki , Kashimura Takeshi , Moriyama Masato , Sato Nobuaki , Tanabe Naohito , Koyama Yu , Wakai Toshifumi , Saijo Yasuo , Inomata Takayuki 
Published: August 2024

Abstract
Background
Trastuzumab has improved breast cancer (BC) prognosis and reduced anthracycline use. However, the characteristic changes of anthracycline-related cardiomyopathy (ARCM) in patients with BC remain unclear. We aimed to update our understanding of ARCM in the trastuzumab era.

METHODS
This retrospective observational cohort study included 2959 patients with BC treated with anthracyclines at three regional cancer centers in Niigata City between 1990 and 2020. Seventy-five patients (2.5%) developed ARCM and were categorized into two groups: pre- 2007 (early phase) and post-2007 (late phase), corresponding to before and during the trastuzumab era in Japan.

Results
ARCM incidence peaked at 6% in the 1990s, then decreased and stabilized at 2% until the 2010s. Survivors of anthracycline-treated BC increased more rapidly in the late phase, with four times as many patients with ARCM compared to the end of the early phase (26 and six, respectively). Although the rate of change in accumulation from the early phase to the late phase was slight in the anthracycline-treated BC group, it was more pronounced in the ARCM group (P < 0.001). Mean anthracycline use in the late phase was significantly lower than in the early phase (307 vs. 525 mg/m2, P < 0.001). Five-year survival rates in the late phase tended to be higher than early phase (45% and 28%, respectively. P = 0.058). Human epidermal growth factor receptor type 2 (HER2) positivity with trastuzumab therapy in the late phase was an independent predictor for mortality within 10 years (hazard ratio = 0.24, 95% confidence interval: 0.10–0.56; P = 0.001).

Conclusions
HER2-positive patients with ARCM receiving trastuzumab therapy had a better prognosis than HER2-positive and HER2-negative patients with ARCM not receiving trastuzumab therapy, and this trend has been increasing in the trastuzumab era. These findings highlight the importance of HER2-targeted treatments in improving prognosis for BC patients with ARCM.
Projected near-future changes in precipitation extremes over Anambra-Imo River Basin inferred from CMIP6 HighResMIP
Authors: Ibe Colman Chikwem , Dike Victor Nnamdi , Ishaya Samaila Kunden , Magaji J. I. , Ibe Amarachukwu A. , Anoruo Chukwuma Moses 
Published: August 2024

AbstractThe southeastern region of Nigeria is susceptible to flood disasters primarily triggered by extreme precipitation with localized impacts. This study uses the output of High-Resolution Model Intercomparison Project (HighResMIP) of the Coupled Model Intercomparison Project Phase 6 (CMIP6) to investigate seasonal dependent changes in precipitation extremes in the near future (2031–2050) in the Anambra-Imo River Basin, in the southeastern region of Nigeria. Evaluating the models against observation for the 1995–2014 period, it is found that models reproduced the spatial pattern of the observed annual precipitation extremes over the river basin. Results show that in the near future, annual precipitation extremes will be characterized by a robust increase in annual total precipitation amount (PRCPTOT), maximum 5-day precipitation (RX5day), and heavy precipitation (R10mm). The models project a significant increase in PRCPTOT, RX5day, R10mm, and wet-day intensity (SDII) for the June–July–August (JJA) and September–October–November (SON) seasons. The results demonstrate a robust and higher magnitude increase in precipitation extremes during the SON season. Specifically, PRCPTOT, RX5day, R10mm and SDII are projected to increase by up to 46 mm, 24 mm, 1.2 days and 2.4 mm/day, respectively. Whereas during the March–April-May (MAM) season, the HighResMIP suggests that PRCPTOT, R10mm, and SDII will marginally increase over the eastern part of the Anambra-Imo River Basin. Besides, the December–January–February (DJF) season will be characterized by a marginal increase in the precipitation extremes, especially over the southern fringes of the river basin. We note that in the near future, precipitation extremes in the river basin will be characterized by more intense and less frequent precipitation extremes during the JJA and SON, potentially exacerbating flash flooding in the river basin. Hence, the results of this study may be vital for near-term socio-economic planning and policy decisions that will minimize the impact of flood disasters in the Anambra-Imo River Basin.
Impact of the traffic on a population of European pond turtles (Emys orbicularis) inhabiting heavily urbanized area at the city of Burgas
Authors: Natchev Nikolay , Telenchev Ivan , Nedyalkov Nikolay , Kolev Nikolay , Tsvetkov Radoslav , Marinova Pavlina , Koynova Teodora 
Published: August 2024

AbstractWe report on the impact of vehicle traffic on a local population of European pond turtles (Emys orbicularis) inhabiting the city of Burgas (Bulgaria). We performed a six-year monitoring program to collect data on the presence of turtles on road E 87 in the south region of the city. The road section splits a Natura 2000 site and crosses through an artificial water basin with fresh to brackish water. We visited the road section in irregular intervals from 3 to over 20 days in the period March to October from 2016 to 2021. For the period of the monitoring, we were able to detect a total of over 300 specimens from all ontogenetic stages (33 juveniles, 74 subadults and 224 adults). During our field surveys in 2016, we detected a total of 47 live and 23 dead adults. In the next years, we found more dead adult turtles than live ones. Similar results were recorded for subadults. In the juveniles, the dead specimens were almost equal to those which were detected alive. Our results indicate an impact of the traffic on the local population of E. orbicularis. We discuss the design and position of constructions, which can mitigate the conflict and reduce the potential for Wildlife-vehicle collisions (WVC).
Photolytic Degradation of Water‐Soluble Organic Carbon in Snowmelts: Changes in Molecular Characteristics, Brown Carbon Chromophores, and Radiative Effects
Authors: Zhou Yue , West Christopher P. , Calderon‐Arrieta Diego , Misovich Maria V. , Hettiyadura Anusha P. S. , Wen Hui , Shi Tenglong , Cui Jiecan , Pu Wei , Wang Xin , Laskin Alexander 
Published: August 2024

AbstractWater‐soluble organic carbon (WSOC) deposited in ambient snowpack play key roles in regional carbon cycle and surface energy budget, but the impacts of photo‐induced processes on its optical and chemical properties are poorly understood yet. In this study, melted samples of the seasonal snow collected from northern Xinjiang, northwestern China, were exposed to ultraviolet (UV) radiation to investigate the photolytic transformations of WSOC. Molecular characteristics and chemical composition of WSOC and its brown carbon (BrC) constituents were investigated using high‐performance liquid chromatography interfaced with a photodiode array detector and a high‐resolution mass spectrometer. Upon illumination, formation of nitrogen‐ and sulfur‐containing species with high molecular weight was observed in snow samples influenced by soil‐ and plant‐derived organics. In contrast, the representative sample collected from remote region showed the lowest molecular diversity and photolytic reactivity among all samples, in which no identified BrC chromophores decomposed upon illumination. Approximately 65% of chromophores in urban samples endured UV irradiation. However, most of BrC composed of phenolic/lignin‐derived compounds and flavonoids disappeared in the illuminated samples containing WSOC from soil‐ and plant‐related sources. Effects of the photochemical degradation of WSOC on the potential modulation of snow albedo were estimated. Apparent half‐lives of WSOC estimated as albedo reduction in 300–400 nm indicated 0.1–0.4 atmospheric equivalent days, which are shorter than typical photolysis half‐lives of ambient biomass smoke aerosol. This study provides new insights into the roles of WSOC in snow photochemistry and snow surface energy balance.
Pharmacological stimulation of infralimbic cortex after fear conditioning facilitates subsequent fear extinction
Authors: Bayer Hugo , Hassell James E. , Oleksiak Cecily R. , Garcia Gabriela M. , Vaughan Hollis L. , Juliano Vitor A. L. , Maren Stephen 
Published: August 2024

AbstractThe infralimbic (IL) division of the medial prefrontal cortex (mPFC) is a crucial site for the extinction of conditioned fear memories in rodents. Recent work suggests that neuronal plasticity in the IL that occurs during (or soon after) fear conditioning enables subsequent IL-dependent extinction learning. We therefore hypothesized that pharmacological activation of the IL after fear conditioning would promote the extinction of conditioned fear. To test this hypothesis, we characterized the effects of post-conditioning infusions of the GABAA receptor antagonist, picrotoxin, into the IL on the extinction of auditory conditioned freezing in male and female rats. In four experiments, we found that picrotoxin injections performed immediately, 24 h, or 13 days after fear conditioning reduced conditioned freezing to the auditory conditioned stimulus (CS) during both extinction training and extinction retrieval; this effect was observed up to two weeks after picrotoxin infusions. Interestingly, inhibiting protein synthesis inhibition in the IL immediately after fear conditioning prevented the inhibition of freezing by picrotoxin injected 24 h later. Our data suggest that the IL encodes an inhibitory memory during the consolidation of fear conditioning that is necessary for future fear suppression.
Deterministic grayscale nanotopography to engineer mobilities in strained MoS2 FETs
Authors: Liu Xia , Erbas Berke , Conde-Rubio Ana , Rivano Norma , Wang Zhenyu , Jiang Jin , Bienz Siiri , Kumar Naresh , Sohier Thibault , Penedo Marcos , Banerjee Mitali , Fantner Georg , Zenobi Renato , Marzari Nicola , Kis Andras , Boero Giovanni , Brugger Juergen 
Published: August 2024

AbstractField-effect transistors (FETs) based on two-dimensional materials (2DMs) with atomically thin channels have emerged as a promising platform for beyond-silicon electronics. However, low carrier mobility in 2DM transistors driven by phonon scattering remains a critical challenge. To address this issue, we propose the controlled introduction of localized tensile strain as an effective means to inhibit electron-phonon scattering in 2DM. Strain is achieved by conformally adhering the 2DM via van der Waals forces to a dielectric layer previously nanoengineered with a gray-tone topography. Our results show that monolayer MoS2 FETs under tensile strain achieve an 8-fold increase in on-state current, reaching mobilities of 185 cm²/Vs at room temperature, in good agreement with theoretical calculations. The present work on nanotopographic grayscale surface engineering and the use of high-quality dielectric materials has the potential to find application in the nanofabrication of photonic and nanoelectronic devices.