bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synergistic mechanism of isolated Fe3+ and highly dispersed Ptδ+ over zeolite for boosting propane dehydrogenation
Authors: Zhang Ying , Wang Xiaofang , Deng Huihui , Sun Qin , Li Baozhen , Zheng Wenchun , Ren Zhuangzhuang , Fang Xiangqing , Tan Li , Tang Yu , Wu Lizhi 
Published: September 2023

AbstractPt‐based catalysts have been widely investigated in propane dehydrogenation (PDH) owing to their high activity in CH activation, while it suffers from Pt sintering and coke deposition. We develop a transition metal Fe and zeolite support synergistic‐modified method to realize the highly dispersed and stable Pt species inside zeolite over Pt/Fe‐silicate‐1. And it shows the excellent PDH performance with propylene generation rate of 51.6 mol C3H6 gPt−1 h−1 and low deactivation rate constant kd of 0.017 h−1 as well as a high TOFPt of 37.6 s−1 at 550°C. The systematic characterizations reveal the isolated Fe3+ species could significantly improve Pt dispersity and regulate Pt electronic density to realize a more positive Ptδ+ species inside Silicalite‐1 pore. And the further in situ DRIFTS experiments demonstrate that the synergistic effect between the appropriate acidic Fe sites and the highly dispersed Ptδ+ species around Fe species are responsible for the superior PDH performance.
Healthy fitness zone prevalence and age‐specific fitness profile of young people in seven European countries in 2022: The EUFITMOS project
Authors: Marques Adilson , Demetriou Yolanda , Popovic Stevo , Gardasevic Jovan , Masanovic Bojan , Martins João , Gouveia Élvio R. , Tsiatsos Thrasyvoulos , Douka Stella , Jarani Juel , Peralta Miguel 
Published: September 2023

AbstractBackgroundPhysical fitness is a health marker in youth and is associated with current and future health.ObjectivePresent the healthy fitness zone (HFZ) prevalence and age‐specific fitness profile of young people from seven European countries.MethodsThis study used data from the European Fitness Monitoring System project. The sample comprised 4965 (51.4% boys) youths aged 9 to 18 years. Fitness data were collected by physical education teachers using field‐based tests. Raw data from the fitness tests were used to calculate the prevalence and 95% confidence intervals (CI) of participants in the HFZ.ResultsThe overall prevalence of boys and girls in the HFZ for all tests was 16.6% (95% CI = 14.7, 18.1) and 14.9% (95% CI = 13.2, 16.6), respectively. Boys have a mainly positive HFZ profiles, except for the 9‐year‐olds in the sit and reach (z‐score difference = −1.20) and the 20 m run for boys 13–18‐year‐olds (z‐score difference range: −0.09 to −0.01). Girls have worse HFZ profiles than boys, being out of the HFZ in several tests. Furthermore, a decreasing trend in z‐score difference from the HFZ with age was observed in VO2 peak for boys and girls and sit and reach for girls. Notwithstanding, several country‐related, sex and age differences were observed.ConclusionsBoys presented mostly healthy age‐specific fitness profiles in several fitness tests and ages. These differences should be considered when promoting youth's health through physical activity and fitness, as different fitness levels may require different approaches to implementing health‐enhancing physical activity policies.
In situ‐spektroskopische Detektion der weitreichenden Reorientierung von Transmembranhelices während der Öffnung des Influenza A M2‐Kanals**
Authors: Paschke Ronja Rabea , Mohr Swantje , Lange Sascha , Lange Adam , Kozuch Jacek 
Published: September 2023

AbstractViroporine sind kleine Ionenkanäle in Membranen umhüllter Viren, die Schlüsselrollen in viralen Lebenszyklen spielen. Um Viroporine als Wirkstoffziele zur Bekämpfung von Virusinfektionen nutzen zu können, bedarf es eines umfassenden Verständnisses ihrer Funktionsweise. Hierfür sind wiederum Methoden notwendig, die ihre Untersuchung unter in situ‐Bedingungen ermöglichen. In dieser Arbeit nutzen wir die oberflächenverstärkte Infrarotabsorptionsspektroskopie (SEIRA, engl. surface‐enhanced infrared absorption), um den Mechanismus der Viroporinfunktion von Influenza A M2 in einer trägergestützten Membran zu untersuchen. M2 ist ein Paradebeispiel pH‐aktivierter Protonenkanäle, das den Protonenfluss in das Virusinnere während einer Virusinfektion kontrolliert. Mit Hilfe von SEIRA verfolgen wir die weitreichende Reorientierung der transmembranen α‐Helices von M2 in situ während der pH‐aktivierten Kanalöffnung. Wir quantifizieren dieses Ereignis als eine helikale Neigung von 26° zu 40° durch eine Korrelation der experimentellen Ergebnisse mit rechnergestützter Spektroskopie basierend auf Strukturen aus Festkörper‐Kernspinresonanzspektroskopie. Die mechanische Bewegung wird durch die Zugabe des Inhibitors Rimantadin verhindert, was somit einen direkten spektroskopischen Marker zum Testen der antiviralen Aktivität darstellt. Der hier vorgestellte Ansatz bietet somit ein spektroskopisches Werkzeug zur Quantifizierung großskaliger Strukturänderungen und zum Beobachten der Funktion und Inhibition einer wachsenden Zahl von Viroporinen aus pathogenen Viren.
Supramolecular Barrel‐Rosette Ion Channel Based on 3,5‐Diaminobenzoic Acid for Cation‐Anion Symport
Authors: Chattopadhayay Sandip , Ghosh Anupam , Kumar Mukhopadhyay Titas , Sharma Rashmi , Datta Ayan , Talukdar Pinaki 
Published: September 2023

AbstractThe structural tropology and functions of natural cation‐anion symporting channels have been continuously investigated due to their crucial role in regulating various physiological functions. To understand the physiological functions of the natural symporter channels, it is vital to develop small‐molecule‐based biomimicking systems that can provide mechanistic insights into the ion‐binding sites and the ion‐translocation pathways. Herein, we report a series of bis((R)‐(−)‐mandelic acid)‐linked 3,5‐diaminobenzoic acid based self‐assembled ion channels with distinctive ion transport ability. Ion transport experiment across the lipid bilayer membrane revealed that compound 1 b exhibits the highest transport activity among the series, and it has interesting selective co‐transporting functions, i.e., facilitates K+/ClO4− symport. Electrophysiology experiments confirmed the formation of supramolecular ion channels with an average diameter of 6.2±1 Å and single channel conductance of 57.3±1.9 pS. Selectivity studies of channel 1 b in a bilayer lipid membrane demonstrated a permeability ratio of
,
, and
indicating the higher selectivity of the channel towards KClO4 over KCl salt. A hexameric assembly of a trimeric rosette of 1 b was subjected to molecular dynamics simulations with different salts to understand the supramolecular channel formation and ion selectivity pattern.
Electrochemical Biosensor Arrays for Multiple Analyte Detection
Authors: Sen Debashis , Lazenby Robert A. 
Published: September 2023

AbstractThe simultaneous detection of multiple analytes using electrochemical biosensor arrays has demonstrated significant potential in various fields, including medical diagnostics. These platforms are designed to be low‐cost, easy to use, and offer fast detection of a range of molecules. This concept article discusses the components necessary to achieve multiplexing with electrochemical biosensor arrays. The various methods used to fabricate electrode arrays of different types are discussed. Furthermore, the methods for the selective immobilization of multiple different bioreceptors onto individual electrodes within the array, a crucial step essential for conferring specificity to the analytical processes, are presented with relevant examples. We have focused on enzymes, antibodies and aptamers as examples of bioreceptors that have been deployed in various multianalyte electrochemical detection platforms. Finally, we discuss the key challenges associated with their application for the analysis of real samples and provide a future outlook on possible strategies that can be used to overcome these challenges.
Novel quinazoline–chromene hybrids as anticancer agents: Synthesis, biological activity, molecular docking, dynamics and ADME studies
Authors: Tokalı Feyzi Sinan , Şenol Halil , Yetke Hande İpek , Hacıosmanoğlu‐Aldoğan Ebru 
Published: September 2023

AbstractIn this study, new quinazoline–chromene hybrid compounds were synthesized. The cytotoxic effects on cell viability of the hybrid compounds were tested against A549 human lung adenocarcinoma and BEAS‐2B healthy bronchial epithelial cell lines in vitro. In addition, the ability of the active compounds to inhibit cell migration was tested. Molecular docking studies were performed to evaluate the ligand–protein interactions, and molecular dynamics simulations were performed to determine the interactions and stability of ligand–protein complexes. In silico absorption, distribution, metabolism, and excretion (ADME) studies were conducted to estimate the drug‐likeness of the compounds. Compounds 4 (IC50 = 51.2 µM) and 5 (IC50 = 44.2 µM) were found to be the most active agents against A549 cells. They are found to be more selective against A549 cells than the reference drug doxorubicin. They also have the ability to significantly inhibit cell migration. They have the best docking scores against epidermal growth factor receptor (EGFR) (−11.300 and −11.226 kcal/mol) and vascular endothelial growth factor receptor 2 (VEGFR2) (−10.987 and −11.247 kcal/mol), respectively. In MD simulations, compounds 4 and 5 have strong hydrogen bond interactions above 80% of simulation times and showed a low ligand root mean square deviation (RMSD) around 2 Å. According to the ADME analysis, compounds 4 and 5 exhibit excellent drug‐likeness and pharmacokinetic characteristics.
The link between North Atlantic tropical cyclones and ENSO in seasonal forecasts
Authors: Doane‐Solomon Robert , Befort Daniel J. , Camp Joanne , Hodges Kevin , Weisheimer Antje 
Published: September 2023

AbstractThis study assesses the ability of six European seasonal forecast models to simulate the observed teleconnection between ENSO and tropical cyclones (TCs) over the North Atlantic. While the models generally capture the basin‐wide observed link, its magnitude is overestimated in all forecast models compared to reanalysis. Furthermore, the ENSO‐TC relationship in the Caribbean is poorly simulated. It is shown that incorrect forecasting of wind shear appears to affect the representation of the teleconnection in some models, however it is not a completely sufficient explanation for the overestimation of the link.
Quality consistency evaluation of chemical composition and pharmacology of Shaoyao‐Gancao decoction dispensing granules and traditional decoction
Authors: Dong Fengyu , Xie Mengdi , Xu Manwen , Lu Lu , Miao Yan , Zhang Panpan , Li Xiaopeng , Gui Xinjing , Liu Ruixin 
Published: September 2023

AbstractDispensing granules of Chinese medicine (DGCM) have emerged as a more convenient alternative to traditional decoction (TD) of Chinese medicine, gaining popularity in recent years. However, the debate surrounding the consistency of DGCM compared to TD remains unresolved. In this study, three batches of Baishao and Gancao DGCM were obtained from manufacturers A, B, and C, and 15 batches of crude drugs were procured from hospital pharmacies for the preparation of dispensing granule decoction (DGD) and TD of Shaoyao‐Gancao decoction (SGD). The HPLC‐UV method was employed to determine the levels of gallic acid, paeoniflorin, albiflorin, liquiritin, liquiritin apioside, isoliquiritin apioside, isoliquiritin, glycyrrhizic acid, and isoliquiritigenin. The analgesic and antispasmodic effects were assessed using the hot plate and acetic acid writhing test in mice. To evaluate the consistency of chemical constituents and pharmacological effects between the two decoctions, the Criteria Importance Though Intercriteria Correlation (CRITIC) method combined with chemometrics was employed. Grey relation analysis (GRA) was used to assess the comprehensive quality consistency of the two decoctions. The CRITIC results revealed certain differences in chemical constituents and pharmacological effects between the selected DGCM and TD. Notably, DGD‐A/C exhibited a significant difference from TD (p > 0.05), whereas DGD‐B demonstrated no significant difference from TD (p > 0.05). The GRA analysis demonstrated that the overall quality consistency between DGD‐B and TD was the highest among the three manufacturers. This study presents a method for evaluating the quality consistency of DGCM and TD of SGD, offering novel insights into the evaluation of consistency between DGCM and TD.
Three‐dimensional adipofascial and dermal structures involved in forehead crease formation
Authors: Takaya Kento , Sakamoto Yoshiaki , Noji Shinobu , Imanishi Nobuaki , Kishi Kazuo 
Published: September 2023

AbstractDeeply etched forehead creases indicate aging. Various treatments such as filler injections, fat grafting, and facelift surgery are used to remove them. However, knowledge of the anatomical structures associated with subcutaneous tissue changes and the superficial musculoaponeurotic system is lacking, and there is no consensus about the appropriate treatment. We have investigated the subcutaneous structures involved in forehead creases; this will help to establish selection criteria for improved treatment. The forehead sections of five unfixed adult Asian cadavers were obtained. Tissues containing forehead creases were removed from the periosteum and were examined using gross observation, radiography, histology, and nano‐computed tomography. All methods revealed that the dermis in the skin crease area, namely the fold visible from the body surface, was bound to the frontalis muscle by a three‐dimensional fibrous structure between the fatty septa. This structure was dense near the skin folds and sparse and thin in other areas. In particular, it was tightly bound to the dermis immediately below the crease, with collagen fibers traversing toward the epidermis. In addition, there were fewer skin appendages near the crease than in the normal area, or they were absent altogether; the epidermis was thicker, and the dermal papillae were more developed. It is thought that the density and firmness of the fibrous fatty septal structures between the dermis‐frontalis muscle and the specific structures of the epidermis and dermis immediately below the crease account for the characteristic plastic forehead creases.
Barriers, facilitators, and recommendations for sexual orientation and gender identity data collection in community oncology practices
Authors: Mullins Megan A. , Reber Lisa , Washington Ariel , Stasenko Marina , Rankin Aaron , Friese Christopher R. , Cooley Mary E. , Hudson Matthew F. , Wallner Lauren P. 
Published: September 2023

AbstractBackgroundSexual orientation and gender identity (SOGI) data collection in community oncology practices is critical to identify and address cancer inequities, but less than 20% of NCI Community Oncology Research Program (NCORP)‐affiliated practices regularly collect SOGI data despite widespread recommendations. We evaluated multilevel barriers and facilitators for SOGI data collection at NCORP practices.MethodsWe conducted 14 semi‐structured interviews at seven purposefully sampled NCORP oncology practices. We interviewed one clinician (oncologist, advanced practice provider) and one clinic staff member per practice. Thematic analysis informed by the Consolidated Framework for Implementation Research (CFIR) was conducted to identify barriers and facilitators.ResultsThematic saturation occurred after interviews at six practices and was confirmed with interviews at an additional practice. Participants highlighted multilevel barriers including low levels of understanding, information technology infrastructure, and perceived low relative priority. Not understanding the role of SOGI data in oncology care contributed to cis‐heteronormative culture. At the clinic level, this culture coincided with a lack of processes and policies for collecting SOGI from all patients. At the care team level, perceived irrelevance to oncology care was related to discomfort asking SOGI, fear of patient discomfort, and limited awareness of SOGI in electronic health records. Suggested solutions included: normalizing asking SOGI questions, giving patients privacy to complete SOGI, and clarifying clinical relevance.ConclusionsSOGI data collection barriers stemmed from perceptions that SOGI disclosure does not influence care quality. Oncology teams may benefit from training on culturally sensitive SOGI collection, education on SOGI data relevance to oncology practices, and support for implementing SOGI data collection policies.
Cardiorespiratory fitness and BMI measured in youth and 5‐year mortality after site‐specific cancer diagnoses in men—A population‐based cohort study with register linkage
Authors: Onerup Aron , Mehlig Kirsten , Ekblom‐Bak Elin , Lissner Lauren , Börjesson Mats , Åberg Maria 
Published: September 2023

AbstractBackgroundOur aim was to assess associations between cardiorespiratory fitness (CRF) and body mass index (BMI) in youth and 5‐year mortality after site‐specific cancer diagnoses in men.MethodsMen with cancer from a population who underwent military conscription at ages 16–25 during 1968–2005 in Sweden were included. CRF was assessed as maximal aerobic workload on a cycle ergometer test and was classified as low, moderate, or high. BMI (kg/m2) was classified as underweight (<18.5), normal weight (18.5–24.9), overweight (25–29.9), or obesity (>30). Conscription data were linked with register data on cancer diagnosis and mortality. Analyses included CRF, BMI, date of diagnosis, and age, year, and center for conscription.ResultsA total of 84,621 cancer cases were included. Mean age at diagnosis was 52 years. Follow‐up data were available during a mean of 6.5 years. There were linear protective associations between CRF and mortality after any cancer diagnosis (hazard ratio [HR] for high vs. low CRF 0.70), malignant skin cancer (HR 0.80), non‐Hodgkin lymphoma (HR 0.78), and cancer in the lungs (HR 0.80), head and neck (HR 0.68), pancreas (HR 0.83), stomach (HR 0.78), liver (HR 0.84), rectum (HR 0.79), and bladder (HR 0.71). Overweight and/or obesity were associated with increased mortality after any cancer (HR for obesity vs. normal weight 1.89), malignant skin cancer (HR 2.03), Hodgkin lymphoma (HR 2.86) and cancer in the head and neck (HR 1.38), thyroid (HR 3.04), rectum (HR 1.53), kidney (HR 1.90), bladder (HR 2.10), and prostate (HR 2.44).ConclusionWe report dose‐dependent associations between CRF and BMI in youth and mortality after site‐specific cancer diagnoses in men. The associations with mortality could be due to both cancer inhibition and an improved tolerance to withstand cancer treatment. These results strengthen the incentive for public health efforts aimed at establishing a high CRF and normal weight in youth.
Role of TLR4 signaling pathway in the mitigation of damaged lung by low‐dose gamma irradiation
Authors: Fahmy Hanan A. , Mohamed Marwa A. , Mekkawy Mai H. , Taha Eman F. S. 
Published: September 2023

AbstractOrganisms frequently suffer negative effects from large doses of ionizing radiation. However, radiation is not as hazardous at lower doses as was once believed. The current study aims to evaluate the possible radio‐adaptive effect induced by low‐dose radiation (LDR) in modulating high‐dose radiation (HDR) and N‐nitrosodiethylamine (NDEA)‐induced lung injury in male albino rats. Sixty‐four male rats were randomly divided into four groups: Group 1 (control): normal rats; Group 2 (D): rats given NDEA in drinking water; Group 3 (DR): rats administered with NDEA then exposed to fractionated HDR; and Group 4 (DRL): rats administered with NDEA then exposed to LDR + HDR. In the next stage, malondialdehyde (MDA), glutathione reduced (GSH), catalase (CAT), and superoxide dismutase (SOD) levels in the lung tissues were measured. Furthermore, the enzyme‐linked immunoassay analysis technique was performed to assess the Toll‐like receptor 4 (TLR4), interleukin‐1 receptor‐associated kinase 4 (IRAK4), and mitogen‐activated protein kinases (MAPK) expression levels. Histopathological and DNA fragmentation analyses in lung tissue, in addition to hematological and apoptosis analyses of the blood samples, were also conducted. Results demonstrated a significant increase in antioxidant defense and a reduction in MDA levels were observed in LDR‐treated animals compared to the D and DR groups. Additionally, exposure to LDR decreased TLR4, IRAK4, and MAPK levels, decreased apoptosis, and restored all the alterations in the histopathological, hematological parameters, and DNA fragmentation, indicating its protective effects on the lung when compared with untreated rats. Taken together, LDR shows protective action against the negative effects of subsequent HDR and NDEA. This impact may be attributable to the adaptive response induced by LDR, which decreases DNA damage in lung tissue and activates the antioxidative, antiapoptotic, and anti‐inflammatory systems in the affected animals, enabling them to withstand the following HDR exposure.
A Guanidine‐Supported π‐Complex of Germanium Amenable to Intramolecular C−C Cleavage in Arene and Ge Atom Transfer
Authors: Segizbayev Medet , Tho Nguyen Minh , Gusev Dmitry G. , Dmitrienko Anton , Pilkington Melanie , van der Est Art , Nikonov Georgii I. 
Published: September 2023

AbstractThe germylone dimNHCGe (dimNHC=diimino N‐heterocyclic carbene) reacts with azides N3R (R=SiMe3 or p‐tolyl) to furnish the first examples of germanium π‐complexes, i. e. guanidine‐ligated compounds (dimNHI−SiMe3)Ge (NHI=N‐heterocyclic imine, R=SiMe3) and (dimNHI−Tol)Ge (R=p‐tolyl). DFT calculations suggest that these species are formed by a Staudinger type replacement of dinitrogen in the azide by a nucleophilic germylone, leading to a transient carbene adduct of iminogermylidene. Heating a solution of compound (dimNHI−SiMe3)Ge to 70 °C results in extrusion of the iminogermylidene that further aggregates to produce the known [Me3SiNGe]4 tetramer, whereas the imidazolylidene fragment transforms into an unusual heptatriene species that can be considered as a product of carbene insertion into the C−C bond of a pendant Ar substituent at the imidazolylidene nitrogen of the dimNHC. Reaction of (dimNHI−SiMe3)Ge with tetrachloro‐o‐benzoquinone results in the net transfer of a germanium atom and formation of the free diimino‐guanidine ligand. This ligand also forms when (dimNHI−SiMe3)Ge is treated with azide N3(p−Tol), with the germanium product being [(p−Tol)NGe]n