bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rb‐Promoted Au/CeO2 Nanocatalyst for Remarkably‐Enhanced Aniline Conversion to Azoxybenzene with Ultrahigh Selectivity
Authors: Khan Afsar , Ju Peiwen , Han Zhengwei , Xie Yu , Gan Ziyu , Zhong Hui , He Zhiguo , Xie Weiqi 
Published: May 2024

AbstractAromatic azo compounds have proven to be a relevant class of building blocks in chemical synthesis. However, uncontrollable selectivity towards azo compounds and low reactant conversion in traditional synthetic methods seriously impede their applications. Herein, Rb‐doped Au/CeO2 nanocatalyst (Rb−Au/CeO2) was prepared and utilized as a highly efficient supported metal catalyst for the selective oxidation of anilines to azocompounds using hydrogen peroxide as an oxidant, which reached ultrahigh selectivity (92 %) towards azoxybenzene and complete aniline conversion (100 %). The addition of Rb+ accelerates the electron transformation of Au to produce Au+, which is ready for catalysis. This research presents a promising Rb‐doped strategy for achieving complete aniline conversion and high selectivity towards azoxybenzene, opening up new possibilities for the application of aromatic azo compounds in chemical synthesis.
New Architecture Based on Metal‐Organic Frameworks and Spin Crossover Complexes to Detect Volatile Organic Compounds
Authors: Cuza Emmelyne , Patriarche Gilles , Serre Christian , Tissot Antoine 
Published: May 2024

AbstractWe present here the encapsulation of a spin crossover complex C1 [FeII(L)] (L: 4‐amino‐, 2‐(2‐pyridinylmethylene)hydrazide) inside MOF‐808(Zr), a chemically robust Metal‐Organic Framework. The compound C1⊂MOF‐808 retains its crystallinity as well as a partial porosity compared to pristine MOF and shows solvatochromism under Volatile Organic compounds (VOCs) sorption associated to a spin state change of the guest complex. More specifically, this compound shows an interesting reversible color change under formaldehyde and formic acid vapor sorption and can therefore be considered as a new kind of optical VOCs chemosensor, opening new doors for developing a broad range of VOCs optical sensors.
1,2,3‐Triazole‐Containing Azamacrocycles from Chiral Triazolopeptoids: Synthesis and Solid‐State Studies
Authors: Araszczuk Alicja M. , Pierri Giovanni , Schettini Rosaria , Costabile Chiara , Della Sala Giorgio , Di Marino Luca , Tedesco Consiglia , De Riccardis Francesco , Izzo Irene 
Published: May 2024

AbstractTwo new chiral 1,2,3‐triazole‐containing macrocyclic oligoamides (i. e.: triazolopeptoid 4 and 5) were obtained through solid‐phase synthesis of linear precursors followed by high dilution macrocyclization reaction. Theoretical (DFT) and spectroscopic (NMR) studies revealed the intricate interplay between the Nα‐chiral side chains and their conformational attitudes. BH3‐mediated reduction of the tertiary amide groups of known 1–3 and newly synthesized 4 gave novel azamacrocycles 6–9. Detection of borane complexes of azamacrocycles 6 and 9 (i. e.: 10 and 11), corroborated by X‐ray diffraction studies, demonstrated the peculiar properties of 1,2,3‐triazole‐containing macrorings.
Myosin phosphatase targeting subunit1 controls localization and motility of Rab7‐containing vesicles: Is myosin phosphatase a cytoplasmic dynein regulator?
Authors: Matsumura Fumio , Murayama Takashi , Kuriyama Ryoko , Matsumura Aya , Yamashiro Shigeko 
Published: May 2024

AbstractMyosin phosphatase targeting subunit1 (MYPT1) is a critical subunit of myosin phosphatase (MP), which brings PP1Cδ phosphatase and its substrate together. We previously showed that MYPT1 depletion resulted in oblique chromatid segregation. Therefore, we hypothesized that MYPT1 may control microtubule‐dependent motor activity. Dynein, a minus‐end microtubule motor, is known to be involved in mitotic spindle assembly. We thus examined whether MYPT1 and dynein may interact. Proximity ligation assay and co‐immunoprecipitation revealed that MYPT1 and dynein intermediate chain (DIC) were associated. We found that DIC phosphorylation is increased in MYPT1‐depleted cells in vivo, and that MP was able to dephosphorylate DIC in vitro. MYPT1 depletion also altered the localization and motility of Rab7‐containing vesicles. MYPT1‐depletion dispersed the perinuclear Rab7 localization to the peripheral in interphase cells. The dispersed Rab7 localization was rescued by microinjection of a constitutively active, truncated MYPT1 mutant, supporting that MP is responsible for the altered Rab7 localization. Analyses of Rab7 vesicle trafficking also revealed that minus‐end transport was reduced in MYPT1‐depleted cells. These results suggest an unexpected role of MP: MP controls dynein activity in both mitotic and interphase cells, possibly by dephosphorylating dynein subunits including DIC.
The synergy mechanism of CsSnI3 and LiTFSI enhancing the electrochemical performance of PEO‐based solid‐state batteries
Authors: Sun Rui , Zhu Ruixiao , Li Jiafeng , Wang Zhongxiao , Zhu Yuting , Yin Longwei , Wang Chengxiang , Wang Rutao , Zhang Zhiwei 
Published: May 2024

AbstractLithium metal solid‐state battery is the first choice of batteries for electromobiles and consumer electronic products because of the specific capacity of 3860 mAh g−1 and high electrochemical potential (−3.04 V) of Li metal. Flexible polymer solid electrolytes have become the optimal solution to produce high energy density lithium batteries with arbitrary size and shape. In this work, we introduce a halide perovskite, CsSnI3, into the polyethylene oxide/lithium bis‐(trifluoromethanesuphone)imide (PEO–LiTFSI) polymer matrix. The CsSnI3 could form a LixSn alloy with Li, leading to homogenization of the electric field and Li+‐flux at the interface, Sn atom also bonds with the TFSI− anion to provide more dissociated Li+. Besides that, the I atom could interact with Li to form an electronic insulation with a strong blocking effect on electron tunneling. As a proof of concept, the synergy mechanism of the PEO–LiTFSI–CsSnI3 electrolyte improves the stable cycle life of the symmetric battery to more than 500 h, and the Li+ conductivity raised to 6.1 × 10−4 S cm−1 at 60°C. The application of the “zwitter ions analog” halide perovskite in PEO–LiTFSI provides a new choice among various methods to improve the electrochemical performance of polymer solid‐state batteries.
Assessing nasal airway resistance and symmetry: An approach to global perspective through computational fluid dynamics
Authors: Burgos Manuel A. , Bastir Markus , Pérez‐Ramos Alejandro , Sanz‐Prieto Daniel , Heuzé Yann , Maréchal Laura , Esteban‐Ortega Francisco 
Published: May 2024

AbstractThis study aimed to explore the variability in nasal airflow patterns among different sexes and populations using computational fluid dynamics (CFD). We focused on evaluating the universality and applicability of dimensionless parameters R (bilateral nasal resistance) and ϕ (nasal flow asymmetry), initially established in a Caucasian Spanish cohort, across a broader spectrum of human populations to assess normal breathing function in healthy airways. In this retrospective study, CT scans from Cambodia (20 males, 20 females), Russia (20 males, 18 females), and Spain (19 males, 19 females) were analyzed. A standardized CFD workflow was implemented to calculate R‐ϕ parameters from these scans. Statistical analyses were conducted to assess and compare these parameters across different sexes and populations, emphasizing their distribution and variances. Our results indicated no significant sex‐based differences in the R parameter across the populations. However, moderate sexual dimorphism in the ϕ parameter was observed in the Cambodian group. Notably, no geographical differences were found in either R or ϕ parameters, suggesting consistent nasal airflow characteristics across the diverse human groups studied. The study also emphasized the importance of using dimensionless variables to effectively analyze the relationships between form and function in nasal airflow. The observed consistency of R‐ϕ parameters across various populations highlights their potential as reliable indicators in both medical practice and further CFD research, particularly in diverse human populations. Our findings suggest the potential applicability of dimensionless CFD parameters in analyzing nasal airflow, highlighting their utility across diverse demographic and geographic contexts. This research advances our understanding of nasal airflow dynamics and underscores the need for additional studies to validate these parameters in broader population cohorts. The approach of employing dimensionless parameters paves the way for future research that eliminates confounding size effects, enabling more accurate comparisons across different populations and sexes. The implications of this study are significant for the advancement of personalized medicine and the development of diagnostic tools that accommodate individual variations in nasal airflow.
Cation Dependence of Enniatin B/Membrane‐Interactions Assessed Using Surface‐Enhanced Infrared Absorption (SEIRA) Spectroscopy
Authors: Gonzalez Barbara Daiana , Forbrig Enrico , Yao Guiyang , Kielb Patrycja , Mroginski Maria Andrea , Hildebrandt Peter , Kozuch Jacek 
Published: May 2024

AbstractEnniatins are mycotoxins with well‐known antibacterial, antifungal, antihelmintic and antiviral activity, which have recently come to attention as potential mitochondriotoxic anticancer agents. The cytotoxicity of enniatins is traced back to ionophoric properties, in which the cyclodepsipeptidic structure results in enniatin:cation‐complexes of various stoichiometries proposed as membrane‐active species. In this work, we employed a combination of surface‐enhanced infrared absorption (SEIRA) spectroscopy, tethered bilayer lipid membranes (tBLMs) and density functional theory (DFT)‐based computational spectroscopy to monitor the cation‐dependence (Mz+=Na+, K+, Cs+, Li+, Mg2+, Ca2+) on the mechanism of enniatin B (EB) incorporation into membranes and identify the functionally relevant EBn : Mz+ complexes formed. We find that Na+ promotes a cooperative incorporation, modelled via an autocatalytic mechanism and mediated by a distorted 2 : 1‐EB2 : Na+ complex. K+ (and Cs+) leads to a direct but less efficient insertion into membranes due to the adoption of “ideal” EB2 : K+ sandwich complexes. In contrast, the presence of Li+, Mg2+, and Ca2+ causes a (partial) extraction of EB from the membrane via the formation of “belted” 1 : 1‐EB : Mz+ complexes, which screen the cationic charge less efficiently. Our results point to a relevance of the cation dependence for the transport into the malignant cells where the mitochondriotoxic anticancer activity is exerted.
Iron as Recyclable Metal Fuel: Unraveling Oxidation Behavior and Cyclization Effects Through Thermogravimetric Analysis, Wide‐Angle X‐ray Scattering and Mössbauer Spectroscopy
Authors: Kuhn Carola , Knapp Anna , Deutschmann Max P. , Spielmann Jonas , Tischer Steffen , Kramm Ulrike I. , Nirschl Hermann , Deutschmann Olaf 
Published: May 2024

AbstractThe carbon‐free chemical storage and release of renewable energy is an important task to drastically reduce CO2 emissions. The high specific energy density of iron and its recyclability makes it a promising storage material. Energy release by oxidation with air can be realized by the combustion of micron‐sized iron powders in retro‐fitted coal fired power plants and in fixed‐bed reactors under milder conditions. An experimental parameter study of iron powder oxidation with air was conducted based on thermogravimetric analysis in combination with wide‐angle X‐ray scattering and Mössbauer spectroscopy. In agreement with literature the oxidation was found to consist of a very fast initial oxidation of the outer particle layer followed by much slower oxidation due to diffusion of iron ions through the Fe2O3/Fe3O4 layer being the rate‐limiting step. Scanning electron microscopy analysis of the iron particle before and after oxidation reveal a strong particle morphology transformation. This impact on the reaction was studied by cyclization experiments. Up to 10 oxidation‐reduction cycles show that both, oxidation and reduction rates, increase strongly with cycling due to increased porosity.
Hyperlactataemia is a marker of reduced exercise capacity in heart failure with preserved ejection fraction
Authors: Nan Tie Emilia , Wolsk Emil , Nanayakkara Shane , Vizi Donna , Mariani Justin , Moller Jacob Eifer , Hassager Christian , Gustafsson Finn , Kaye David M. 
Published: May 2024

AbstractAimsHeart failure with preserved ejection fraction (HFpEF) is associated with an array of central and peripheral haemodynamic and metabolic changes. The exact pathogenesis of exercise limitation in HFpEF remains uncertain. Our aim was to compare lactate accumulation and central haemodynamic responses to exercise in patients with HFpEF, non‐cardiac dyspnoea (NCD), and healthy volunteers.Methods and resultsRight heart catheterization with mixed venous blood gas and lactate measurements was performed at rest and during symptom‐limited supine exercise. Multivariable analyses were conducted to determine the relationship between haemodynamic and biochemical parameters and their association with exercise capacity. Of 362 subjects, 198 (55%) had HFpEF, 103 (28%) had NCD, and 61 (17%) were healthy volunteers. This included 139 (70%) females with HFpEF, 77 (75%) in NCD (P = 0.41 HFpEF vs. NCD), and 31 (51%) in healthy volunteers (P < 0.001 HFpEF vs. volunteers). The median age was 71 (65, 75) years in HFpEF, 66 (57, 72) years in NCD, and 49 (38, 65) years in healthy volunteers (HFpEF vs. NCD or volunteer, both P < 0.001). Peak workload was lower in HFpEF compared with healthy volunteers [52 W (interquartile range 31–73), 150 W (125–175), P < 0.001], but not NCD [53 W (33, 75), P = 0.85]. Exercise lactate indexed to workload was higher in HFpEF at 0.08 mmol/L/W (0.05–0.11), 0.06 mmol/L/W (0.05–0.08; P = 0.016) in NCD, and 0.04 mmol/L/W (0.03–0.05; P < 0.001) in volunteers. Exercise cardiac index was 4.5 L/min/m2 (3.7–5.5) in HFpEF, 5.2 L/min/m2 (4.3–6.2; P < 0.001) in NCD, and 9.1 L/min/m2 (8.0–9.9; P < 0.001) in volunteers. Oxygen delivery in HFpEF was lower at 1553 mL/min (1175–1986) vs. 1758 mL/min (1361–2282; P = 0.024) in NCD and 3117 mL/min (2667–3502; P < 0.001) in the volunteer group during exercise. Predictors of higher exercise lactate levels in HFpEF following adjustment included female sex and chronic kidney disease (both P < 0.001).ConclusionsHFpEF is associated with reduced exercise capacity secondary to both central and peripheral factors that alter oxygen utilization. This results in hyperlactataemia. In HFpEF, plasma lactate responses to exercise may be a marker of haemodynamic and cardiometabolic derangements and represent an important target for future potential therapies.
Artificial intelligence‐assisted automated heart failure detection and classification from electronic health records
Authors: Oo Mon Myat , Gao Chuang , Cole Christian , Hummel Yoran , Guignard‐Duff Magalie , Jefferson Emily , Hare James , Voors Adriaan A. , de Boer Rudolf A. , Lam Carolyn S.P. , Mordi Ify R. , Tromp Jasper , Lang Chim C. 
Published: May 2024

AbstractAimsElectronic health records (EHR) linked to Digital Imaging and Communications in Medicine (DICOM), biological specimens, and deep learning (DL) algorithms could potentially improve patient care through automated case detection and surveillance. We hypothesized that by applying keyword searches to routinely stored EHR, in conjunction with AI‐powered automated reading of DICOM echocardiography images and analysing biomarkers from routinely stored plasma samples, we were able to identify heart failure (HF) patients.Methods and resultsWe used EHR data between 1993 and 2021 from Tayside and Fife (~20% of the Scottish population). We implemented a keyword search strategy complemented by filtering based on International Classification of Diseases (ICD) codes and prescription data to EHR data set. We then applied DL for the automated interpretation of echocardiographic DICOM images. These methods were then integrated with the analysis of routinely stored plasma samples to identify and categorize patients into HF with reduced ejection fraction (HFrEF), HF with preserved ejection fraction (HFpEF), and controls without HF. The final diagnosis was verified through a manual review of medical records, measured natriuretic peptides in stored blood samples, and by comparing clinical outcomes among groups. In our study, we selected the patient cohort through an algorithmic workflow. This process started with 60 850 EHR data and resulted in a final cohort of 578 patients, divided into 186 controls, 236 with HFpEF, and 156 with HFrEF, after excluding individuals with mismatched data or significant valvular heart disease. The analysis of baseline characteristics revealed that compared with controls, patients with HFrEF and HFpEF were generally older, had higher BMI, and showed a greater prevalence of co‐morbidities such as diabetes, COPD, and CKD. Echocardiographic analysis, enhanced by DL, provided high coverage, and detailed insights into cardiac function, showing significant differences in parameters such as left ventricular diameter, ejection fraction, and myocardial strain among the groups. Clinical outcomes highlighted a higher risk of hospitalization and mortality for HF patients compared with controls, with particularly elevated risk ratios for both HFrEF and HFpEF groups. The concordance between the algorithmic selection of patients and manual validation demonstrated high accuracy, supporting the effectiveness of our approach in identifying and classifying HF subtypes, which could significantly impact future HF diagnosis and management strategies.ConclusionsOur study highlights the feasibility of combining keyword searches in EHR, DL automated echocardiographic interpretation, and biobank resources to identify HF subtypes.
Diastereoselective Aldol Reaction of α‐Azido Ketones with α‐CF3 Pyruvate to Organoazides with Vicinal Tetrasubstituted Carbons
Authors: Gao Yang , Zhang Xue‐Xin , Tu Zhi , Yu Jin‐Sheng , Zhou Jian 
Published: May 2024

AbstractA direct diastereoselective aldol reaction of cyclic or acyclic α‐azido ketones with α‐trifluoromethyl (CF3) pyruvate catalysed by DABCO is developed, which allowed the facile access of CF3‐containing multifunctional organoazides with vicinal tetrasubstituted carbons in good to high yields and diastereoselectivities. Moreover, phenylethynyl trifluoro‐ and difluoromethyl ketones are also viable substrates. Up to 50 % enantioselectivity could be obtained in the initial exploration of the catalytic asymmetric variant.
Does a broad‐spectrum cannabidiol supplement improve performance in a 10‐min cycle ergometer performance‐test?
Authors: Gillham Scott H. , Starke Lynn , Welch Lauren , Mather Edward , Whitelegg Thomas , Chester Neil , Owens Daniel J. , Bampouras Theodoros , Close Graeme L. 
Published: May 2024

AbstractCannabidiol (CBD) is a non‐intoxicating phytocannabinoid which has been proposed to possess anti‐inflammatory and analgesic properties. Given the potential for perceptions of pain to limit exercise performance, the aim of the present study was to investigate if 3 weeks of daily CBD supplementation (150 mg day−1) improved performance in a 10‐min performance‐trial on a cycle ergometer. In a randomized, double‐blind and placebo‐controlled study, 22 healthy participants (n = 11 male and n = 11 female) completed two 10‐min performance trials on a WattBike cycle ergometer interspersed with a 3‐week supplementation period. Supplementation involved either 150 mg day−1 oral CBD or 150 mg day−1 of a visually identical placebo (PLA). During trials, ratings of perceived exertion (RPE [6–20]), heart rate (HR) and blood lactate (BLa) were collected every 2 min. Mean power (W) was also taken throughout the exercise at each time point. All data were analyzed using two‐way ANOVAs. There were no significant differences (P > 0.05) between CBD or PLA groups for mean power (W) during the 10‐min performance trial. There were also no significant differences (P > 0.05) in any of the physiological or perceptual parameters (HR, BLa and RPE) between conditions. Three weeks supplementation of a broad‐spectrum CBD supplement did not improve performance via any change in RPE during a 10‐min time trial on a cycle ergometer, and as such, this evidence does not support the claim that broad‐spectrum CBD supplements could be performance‐enhancing in this exercise modality.
Cognitive function in different motor subtypes of Parkinson's disease: A systematic review protocol
Authors: Child Brittany , Saywell Isaac , da Silva Robyn , Collins‐Praino Lyndsey , Baetu Irina 
Published: May 2024

AbstractBackground and AimsAs the fastest‐growing neurological disorder globally, a better understanding of Parkinson's disease (PD) is needed to improve patient outcomes and reduce the increasing economic and healthcare burden associated with the disease. Whilst classified as a movement disorder, this disease is highly heterogeneous, encompassing a broad range of both motor and non‐motor symptoms (NMS). Cognitive impairment, presenting as either mild cognitive impairment or PD‐dementia, is one of the most prevalent and disabling NMS. To better understand heterogeneity in PD, researchers have sought to identify subtypes of individuals who share similar symptom profiles. To date, this research has predominantly focused on motor subtyping, with many studies comparing these motor subtypes on non‐motor outcomes, such as cognitive impairment. However, despite evidence of a motor‐cognitive relationship in healthy aging, findings regarding the presence of a motor‐cognitive relationship in PD are inconsistent. In our proposed systematic review, we will investigate motor subtyping studies that have evaluated the relationship between motor and cognitive function in PD. We aim to examine what is currently known about the relationship between motor and cognitive impairment in PD and evaluate the state of the field with respect to the subtyping methods and quality of cognitive assessment tools used.MethodsSystematic literature searches will be conducted in PubMed, PsycINFO, CINAHL, Scopus, and Web of Science.ResultsResults will be synthesized using meta‐analysis and, where meta‐analysis is not feasible, narrative synthesis.ConclusionDespite the preponderance of motor subtyping research in PD, our study will be the first to systematically review evidence regarding the association between motor subtypes and cognitive impairment. Understanding the nature of the motor‐cognitive relationship in PD may lead to important insights regarding shared underlying disease pathology, which would have significant implications for early diagnosis, prognosis, and treatment of cognitive impairment in PD.