bluuebunny/crossref_metadata_2025_split huggingface dataset:
NN bridged pyrazoles from nitrogen‐centered radicals: A comparative study of spin densities, molecular structures, and reactivities
Authors: Zeng Zhiwei , Huang Wei , Liu Yuji , Tang Yongxing 
Published: October 2023

AbstractNitrogen‐centered radicals are versatile synthetic intermediates with the ability to undergo diverse reactions. However, the utility of these reactive species in NN coupling reactions, especially in nitrogen‐rich heterocycles, remains a significant challenge due to the high electronegativity of the nitrogen atoms and the poor molecular stability of high‐nitrogen compounds. In this work, the possibility of NH bond cleavage in different functionalized pyrazoles to produce corresponding nitrogen‐centered radicals was investigated through density functional theory calculations. Based on the calculated results, the NN bridged 4c and 4e were synthesized with expected reaction efficiencies, which were further analyzed by frontier molecular orbital theory. Furthermore, the molecular stability of the synthesized NN bridged bipyrazoles was also studied.
How do we detect and respond to clinical deterioration in hospitalized children? Results of the Pediatric Care BefOre Deterioration Events (CODE) survey
Authors: O'Halloran Amanda , Lockwood Justin , Sosa Tina , Gawronski Orsola , Nadkarni Vinay , Kleinman Monica , Dewan Maya ,   for the pediRES‐Q Investigators
Published: October 2023

AbstractSystems to detect and respond to deteriorating hospitalized children are common despite little evidence supporting best practices. Our objective was to describe systems to detect/respond to deteriorating hospitalized children at Pediatric Resuscitation Quality Collaborative (pediRES‐Q) institutions. We performed a cross‐sectional survey of pediRES‐Q leaders. Questionnaire design utilized expert validation and cognitive interviews. Thirty centers (88%) responded. Most (93%) used ≥1 system to detect deterioration: most commonly, early warning scores (83%), watcher lists (55%), and proactive surveillance teams (31%). Most (90%) had a team to respond to deteriorating patients and the majority of teams could be activated by clinician or family concerns. Most institutions (90%) collect relevant data, including number of rapid responses (88%), arrests outside intensive care units (100%), and serious safety events (88%). In conclusion, most pediRES‐Q institutions utilize systems to detect/respond to deteriorating hospitalized children. Heterogeneity exists among programs. Rigorous evaluation is needed to identify best practices.
Physicochemical homogeneity of stingless bee honey (Heterotrigona itama) produced in the west coast, east coast and inland area of Peninsular Malaysia
Authors: Ramlan Nurul Ainaa Farhanah Mat , Mohamad Azman Ezzat , Muhammad Kharidah , Jusoh Arif Zaidi , Johari Nor Azfa , Yusof Yus Aniza , Zawawi Norhasnida 
Published: October 2023

AbstractBACKGROUNDThe nutritional composition of stingless bee honey (SBH) can be affected by different climates and soil composition across different geographical areas. However, the range of attributes set for a honey quality standard should be inclusive. This study analysed the sugar profile's physiochemical properties, including quantifying the rare sugar trehalulose, organic acid and mineral composition of SBH collected from inland, and west and east coasts of Peninsular Malaysia. Forty‐three SBH (Heterotrigona itama) samples were collected and labelled as <20 and <40 West Coast (<20WC, <40WC), <20 and <40 East Coast (<20EC, <40EC) and Inland, according to their distance from the coasts.RESULTSThe moisture, pH and sugar composition of all SBH samples adhered to the Malaysian Kelulut Honey Standard (MS2683:2017) but not to the International Codex Standard (CODEX) for honey. Trehalulose presence in all samples, regardless of geographical area, was predominant alongside fructose and glucose. Only hydroxymethylfurfural (HMF) content and electrical conductivity (EC) results complied with both standards. The principal component analysis biplot showed that the discrimination of SBH according to the five different areas was not feasible, indicating sample homogeneity.CONCLUSIONThe physicochemical evaluation of SBH from Peninsular Malaysia shows mainly homogeneous attributes of samples across geographical locations. These findings demonstrated that the current MS2683:2017 is relevant and accommodates all SBH of H. itama species produced in Peninsular Malaysia. Furthermore, the trehalulose range calculated in this study can be implemented as a new benchmark for the indicator of SBH honey quality standard by national and international food standard committees. © 2023 Society of Chemical Industry.
Long‐term exposure to elevated temperature leads to altered gene expression in a common bloom‐forming cyanobacterium
Authors: Briddon Charlotte L. , Miclăuş Mihai , Hegedüs Adriana , Nicoară Maria , Chiriac Maria‐Cecilia , Drugă Bogdan 
Published: October 2023

AbstractCyanobacteria have a strong potential to compete well under elevated temperatures. Understanding how they acclimate and evolve under climatic stressors can help us accurately predict their response to forecasted future conditions. However, it is unclear whether increased temperature results in microevolution and/or changes in gene expression. This is the first study to investigate how long‐term exposure under increased temperature influences cyanobacterial genomes. Here, we cultivated three strains of Microcystis aeruginosa (M10, M11, and M12) under two temperature conditions, ambient (22°C) and high‐temperature (26°C) for 2 yr and subsequently sequenced the full genomes. The six genomes were then compared to a reference genome and analyzed for single‐nucleotide polymorphisms, from which the mutation rate was calculated to see if temperature influenced the prevalence of gene changes. Furthermore, we investigated how temperature impacted the gene expression of six genes involved in thermal tolerance and heat shock response. We found that M. aeruginosa exposure to high temperatures demonstrated a stronger expressional response with genes associated with heat shock and thermal tolerance due to exposure to elevated temperature. Although the functionality of many genes encoding for the carbon concentrating mechanisms, nutrient metabolism and secondary metabolites were unaffected, temperature could be a possible driver of genetic change due to enhanced mutation rates. Yet, differing patterns in M10 exposed to high temperatures suggests strain specifics components are also a factor. These patterns suggest changes in plasticity, which would allow for M. aeruginosa to respond rapidly to changes in temperature and to be resilient to environmental change.
Evaluation of Far‐Field Electrospun Polyvinyl Alcohol/Hyaluronic Acid Nanofibrous Membranes for Skin Tissue Engineering Applications
Authors: Ilomuanya Margaret O. , Bassey Peace Ofonabasi , Cardoso‐Daodu Ibilola M. , Hou Yanhao , Nmesirionye Bright U. , Amenaghawon Andrew N. , Ojo Olusola , Adeosun Samson A. , Wang Weiguang 
Published: October 2023

AbstractElectrospinning has emerged as one of the major technologies for designing and fabricating tissue engineering membranes. The resemblance of the electrospun fiber structure to blood capillaries endowed them with unique capabilities to mimic the native tissue biological characteristics, while the high surface‐to‐volume ratio enables them to exert a controlled release of drug directly to the exposed interstitial tissue. This research attempts to compare the characteristics of different electrospun polyvinyl alcohol/hyaluronic acid (PVA/HA) composite material nanofibrous membranes in order to identify the optimal material‐fabrication combination for wound dressing and skin tissue engineering applications. Far‐field electrospinning equipped with both rotatory and wire collectors is considered for membrane fabrication. PVA with different concentrations and molecular weights of HA are electrospun as nanofibrous membranes considering a voltage of 30 kV on both types of collectors. Comprehensive characterization is conducted including morphological, chemical, thermal, mechanical, and in vitro mucoadhesion analysis. In vitro cell viability/proliferation studies are also carried out and pointed out that the designed membranes are cytocompatible, and able to support keratinocytes proliferation. All these results proved that the fabricated PVA/HA nanofibrous membranes are suitable for wound dressing and skin tissue engineering applications, the optimal material‐fabrication combination is also determined.
The Increasing Prevalence ofREMSleep Behavior Disorder with Parkinson's Disease Progression: A Polysomnography‐Supported Study
Authors: Sixel‐Döring Friederike , Muntean Maria‐Lucia , Petersone Daina , Leha Andreas , Lang Elisabeth , Mollenhauer Brit , Trenkwalder Claudia 
Published: October 2023

AbstractObjectivesRapid eye movement (REM) sleep behavior disorder (RBD) is proposed as an early diagnostic marker in Parkinson's disease (PD). We investigated the frequency of RBD during the progression of PD in the advanced stages and identified potential risk factors for developing RBD earlier or later.Patients and MethodsWe performed a retrospective analysis and determined the frequency of RBD in all PD in‐patients (Hoehn and Yahr stages ≥3) with motor fluctuations who had undergone video‐polysomnography (vPSG) for a sleep complaint or daytime sleepiness. To correct for selection bias, we analyzed the prevalence of RBD in PD patients from the DeNoPa cohort. PD patients with RBD were compared with PD without RBD. To identify potential risk factors, we performed multiple regression modeling.ResultsA total of 504 PD patients had vPSG. 37 were excluded due to missing REM or artifacts during REM. RBD was present in 406/467 (86.9%) PD patients. PD + RBD patients were older than PDnonRBD (69 ± 7.7 vs. 64 ± 9.2 years,P < 0.01), were more likely to have postural instability [234 (59.1%) vs. 19 (33.9%),P < 0.01], and were treated more often with antidepressants (other than SSRIs) [141 (34.7%) vs. 7 (13%),P < 0.01]. Multiple regression modeling identified predictors of RBD with an AUC of 0.78.ConclusionThe prevalence of RBD in patients with advanced PD is high and increases with disease severity, motor deficits, postural instability, orthostatic symptoms, and age. This suggests RBD is a progression marker of PD in patients with sleep complaints.
Isoliquiritin treatment of osteoporosis by promoting osteogenic differentiation and autophagy of bone marrow mesenchymal stem cells
Authors: Su Zhikang , Chen Ding , Huang Jiangyon , Liang Zitian , Ren Wen , Zhang Zeyu , Jiang Qianzhou , Luo Tao , Guo Lvhua 
Published: October 2023

AbstractOsteoporosis is a chronic progressive bone disease characterized by the decreased osteogenic ability of osteoblasts coupled with increased osteoclast activity. Natural products showing promising therapeutic potential for postmenopausal osteoporosis remain underexplored. In this study, we aimed to analyze the therapeutic effects of isoliquiritin (ISL) on osteoporosis in mice and its possible mechanism of action. An ovariectomy‐induced osteoporosis mouse model and bone marrow mesenchymal stem cells (BMSCs) were used to analyze the effects of ISL on bone regeneration in vivo and in vitro, respectively. Mitogen‐activated protein kinase (MAPK) and autophagy inhibitors were used, to investigate whether the MAPK signaling pathway and autophagy affect the osteogenic differentiation of BMSCs. ISL significantly improved bone formation and reduced bone resorption in mouse femurs without inducing any detectable toxicity in critical organs such as the liver, kidney, brain, heart, and spleen. In vitro experiments showed that ISL enhanced the proliferation and osteogenic differentiation of BMSCs and that its osteogenic effect was attenuated by p38/extracellular regulated protein kinase (ERK) and autophagy inhibitors. Further studies showed that the inhibition of phosphorylated p38/ERK blocked ISL autophagy in BMSCs. ISL promoted the osteogenic differentiation of BMSCs through the p38/ERK‐autophagy pathway and was therapeutically effective in treating osteoporosis in ovariectomized mice without any observed toxicity to vital organs. These results strongly suggest the promising potential of ISL as a safe and efficacious candidate drug for the treatment of osteoporosis.
Efficient Co‐Cu/MS Catalyst from the Sequential Adsorption and Carbonization of Melamine Foam for the Selective Oxidation of 5‐Hydroxymethylfurfural (HMF)
Authors: Le Tan Khanh Trinh , Nguyen Hong Thuc Duyen , Kongparakul Suwadee , Zhang Haibo , Guan Guoqing , Chanlek Narong , An Tran Nguyen Minh , Tran Thi Tuong Vi , Samart Chanatip 
Published: October 2023

AbstractPolyethylenefuranoate, a suitable alternative for polyethylene terephthalate, can be synthesized from biomass‐derived 2,5‐furandicarboxylic acid (FDCA), which is obtained via the selective oxidation of 5‐hydroxymethylfurfural (HMF) over noble or non‐noble metal oxide catalysts. However, the FDCA yields using non‐noble metal catalysts can be improved. Hence, in this study, we developed a series of Co‐ and Cu‐embedded melamine sponge (MS)‐derived carbon catalysts (xCo‐Cu/MS) for HMF oxidation, wherein Co and Cu oxides with different Co : Cu ratios were embedded in carbonized MS. The metals were adsorbed on the MS, followed by carbonization. This strategy allowed the uniform distribution of metal clusters in the carbon texture, which enhanced the catalytic activity for HMF conversion and improved the FDCA yield. The good distribution and small crystal size of Co3O4 significantly increased the active surface area, enhancing the catalytic activity. Compared to Co‐Cu/MS catalysts, the 4Co‐Cu/activated carbon catalyst synthesized via impregnation afforded the maximum FDCA yield (93 %) with 100 % HMF conversion at 170 °C and 7 h. Moreover, oxidative regeneration using H2O2 proved to be the best regeneration method for the MS catalysts, with only a 5 % decrease in the FDCA yield after three cycles.
Wireless Electrochemical Gel Actuators
Authors: Imato Keiichi , Hino Taichi , Kaneda Naoki , Imae Ichiro , Shida Naoki , Inagi Shinsuke , Ooyama Yousuke 
Published: October 2023

AbstractSoft actuators generate motion in response to external stimuli and are indispensable for soft robots, particularly future miniature robots with complex structure and motion. Similarly to conventional hard robots, electricity is suitable for the stimulation. However, previous electrochemical soft actuators require a tethered connection to a power supply, limiting their size, structure, and motion. Here, wireless electrochemical soft actuators composed of hydrogels and driven by bipolar electrochemistry are reported. Viologen, which dimerizes by one‐electron reduction and dissociates by one‐electron oxidation, is incorporated in the side chains of the gel networks and works as a reversible cross‐link. Wireless and reversible electrochemical actuation of the hydrogels, i.e., muscle‐like shrinking and swelling, is demonstrated at microscopic and even macroscopic scales.
Evaluating the Stability of Semantic Concept Representations in CNNs for Robust Explainability
Authors: Mikriukov Georgii , Schwalbe Gesina , Hellert Christian , Bade Korinna 
Published: October 2023

AbstractAnalysis of how semantic concepts are represented within Convolutional Neural Networks (CNNs) is a widely used approach in Explainable Artificial Intelligence (XAI) for interpreting CNNs. A motivation is the need for transparency in safety-critical AI-based systems, as mandated in various domains like automated driving. However, to use the concept representations for safety-relevant purposes, like inspection or error retrieval, these must be of high quality and, in particular, stable. This paper focuses on two stability goals when working with concept representations in computer vision CNNs: stability of concept retrieval and of concept attribution. The guiding use-case is a post-hoc explainability framework for object detection (OD) CNNs, towards which existing concept analysis (CA) methods are successfully adapted. To address concept retrieval stability, we propose a novel metric that considers both concept separation and consistency, and is agnostic to layer and concept representation dimensionality. We then investigate impacts of concept abstraction level, number of concept training samples, CNN size, and concept representation dimensionality on stability. For concept attribution stability we explore the effect of gradient instability on gradient-based explainability methods. The results on various CNNs for classification and object detection yield the main findings that (1) the stability of concept retrieval can be enhanced through dimensionality reduction via data aggregation, and (2) in shallow layers where gradient instability is more pronounced, gradient smoothing techniques are advised. Finally, our approach provides valuable insights into selecting the appropriate layer and concept representation dimensionality, paving the way towards CA in safety-critical XAI applications.
Finding Spurious Correlations with Function-Semantic Contrast Analysis
Authors: Bykov Kirill , Kopf Laura , Höhne Marina M.-C. 
Published: October 2023

AbstractIn the field of Computer Vision (CV), the degree to which two objects, e.g. two classes, share a common conceptual meaning, known as semantic similarity, is closely linked to the visual resemblance of their physical appearances in the data: entities with higher semantic similarity, typically exhibit greater visual resemblance than entities with lower semantic similarity. Deep Neural Networks (DNNs) employed for classification exploit this visual similarity, incorporating it into the network’s representations (e.g., neurons), resulting in the functional similarity between the learned representations of visually akin classes, often manifesting in correlated activation patterns. However, such functional similarities can also emerge from spurious correlations — undesired auxiliary features that are shared between classes, such as backgrounds or specific artifacts. In this work, we present the Function-Semantic Contrast Analysis (FSCA) method, which identifies potential unintended correlations between network representations by examining the contrast between the functional distance of representations and the knowledge-based semantic distance between the concepts these representations were trained to recognize. While natural discrepancy is expected, our results indicate that these differences often originate from harmful spurious correlations in the data. We validate our approach by examining the presence of spurious correlations in widely-used CV architectures, demonstrating that FSCA offers a scalable solution for discovering previously undiscovered biases, that reduces the need for human supervision and is applicable across various Image Classification problems.
A Note on the Jacobian Problem of Coifman, Lions, Meyer and Semmes
Authors: Lindberg Sauli 
Published: October 2023

AbstractCoifman, Lions, Meyer and Semmes asked in 1993 whether the Jacobian operator and other compensated compactness quantities map their natural domain of definition onto the real-variable Hardy space $$\mathcal {H}^1({\mathbb {R}}^n)$$

H

1

(

R

n

)

. We present an axiomatic, Banach space geometric approach to the problem in the case of quadratic operators. We also make progress on the main open case, the Jacobian equation in the plane.
Soluble LDL-receptor is induced by TNF-α and inhibits hepatocytic clearance of LDL-cholesterol
Authors: Zegeye Mulugeta M. , Nakka Sravya S. , Andersson Jonas S. O. , Söderberg Stefan , Ljungberg Liza U. , Kumawat Ashok K. , Sirsjö Allan 
Published: October 2023

Abstract
Defective LDL-C clearance and hence its elevation in the circulation is an established risk factor for cardiovascular diseases (CVDs) such as myocardial infarction (MI). A soluble LDL-receptor (sLDL-R) has been detected in human plasma which correlates strongly with circulating LDL-C and classical conditions that promote chronic inflammation. However, the mechanistic interplay between sLDL-R, inflammation, and CVDs remains to be investigated. Here, we report that stimulation of HepG2 cells with TNF-α induces the release of sLDL-R into culture supernatants. In addition, TNF-α induces gene expression of peptidases ADAM-17 and MMP-14 in HepG2 cells, and inhibiting these peptidases using TMI 1 significantly reduces the TNF-α induced sLDL-R release. We found that a soluble form of recombinant LDL-R (100 nM) can strongly bind to LDL-C and form a stable complex (KD = E-12). Moreover, incubation of HepG2 cells with this recombinant LDL-R resulted in reduced LDL-C uptake in a dose-dependent manner. In a nested case-control study, we found that baseline sLDL-R in plasma is positively correlated with plasma total cholesterol level. Furthermore, a twofold increase in plasma sLDL-R was associated with a 55% increase in the risk of future MI [AOR = 1.55 (95% CI = 1.10–2.18)]. Nevertheless, mediation analyses revealed that a significant proportion of the association is mediated by elevation in plasma cholesterol level (indirect effect β = 0.21 (95% CI = 0.07–0.38). Collectively, our study shows that sLDL-R is induced by a pro-inflammatory cytokine TNF-α via membrane shedding. Furthermore, an increase in sLDL-R could inhibit hepatic clearance of LDL-C increasing its half-life in the circulation and contributing to the pathogenesis of MI.

Key messages

TNF-α causes shedding of hepatocytic LDL-R through induction of ADAM-17 and MMP-14.

sLDL-R binds strongly to LDL-C and inhibits its uptake by hepatocytic cells.

Plasma sLDL-R is positively correlated with TNF-α and cholesterol.

Plasma sLDL-R is an independent predictor of myocardial infarction (MI).

Plasma cholesterol mediates the association between sLDL-R and MI.
Point-of-Care-Ultraschall in Gynäkologie und Geburtshilfe
Authors: Recker Florian 
Published: October 2023

ZusammenfassungDer Point-of-Care-Ultraschall (POCUS) hat sich in der medizinischen Diagnostik und Patientenversorgung als unverzichtbare Technik etabliert. Diese innovative Bildgebung ermöglicht es medizinischem Fachpersonal, Ultraschallaufnahmen direkt am Patientenbett oder in dessen unmittelbarer Nähe durchzuführen. Besonders in Akutsituationen beschleunigt dies die Diagnosestellung und erleichtert Therapieüberwachung wie Verlaufskontrollen. POCUS bietet hochwertige Echtzeit-Ultraschallbilder und ist weltweit ein essenzielles Instrument für Ärzte. In der Geburtshilfe und Gynäkologie ist POCUS ein besonders wichtiges Werkzeug. Es verbessert die Diagnosesicherheit, ermöglicht gezielte Therapien und stärkt die Arzt-Patienten-Beziehung. Insbesondere in Notsituationen kann der Einsatz von POCUS lebensrettend werden. Darüber hinaus bietet POCUS die Chance, in unterversorgten Regionen den Zugang zur Bildgebung zu erleichtern. Technologische Fortschritte bringen kompaktere, tragbare Geräte mit Bildqualität. Die Integration in die medizinische Ausbildung wird dabei die POCUS-Fähigkeiten der anwendenden Fachkräfte stärken. Auch in der pränatalen Versorgung und bei gynäkologischen Untersuchungen wird POCUS eine Rolle spielen, wobei telemedizinische Ansätze die Fernbehandlung von Patientinnen verbessern werden. Zusammenfassend revolutioniert POCUS die medizinische Diagnostik und Patientenversorgung. Mit fortschreitender Technologie, gezielter Ausbildung und zunehmender Integration wird es die Patientenversorgung in der Gynäkologie und Geburtshilfe weiter optimieren.