bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metal‐triggered supramolecular hydrogels based on bipyridine ligand possessing hydrazine moieties with metal ions
Authors: Go Kayeong , Kim Sehee , Kim MinHye , Choi Heekyoung , Jung Sung Ho , Jung Jong Hwa 
Published: February 2024

AbstractBipyridine‐based gelator 1 having two D‐alanine units was prepared, and its gelation ability was evaluated in the presence of Co(NO3)2 and AgNO3 in water. Gelator 1 could gelate H2O in the presence of Co(NO3)2 or AgNO3 (1.0 equiv.) in water. Gelator 1 formed a 2:1 (1:Co2+) octahedral complex with Co2+, whereas it formed a 2:1 (1:Ag+) tetrahedral complex with Ag+. The metallosupramolecular hydrogel with Co2+ assembled into a left‐handed helical fiber, whereas that with Ag+ assembled into a nanorod structure. 1H NMR and FTIR analyses revealed that π–π stacking and intermolecular hydrogen bonds acted as the driving force for the formation of the supramolecular nanoarchitectures. Furthermore, to characterize the viscoelastic properties of hydrogels, rheology experiments were conducted at 25°C, including time, strain, and frequency sweeps.
A theoretical study for the linear free energy relationship of CH bond activation and the role of the axial ligand in cytochrome P450 model complexes
Authors: Kwon Soobin , Choi Yun‐Cheol , Kim Yongho 
Published: February 2024

AbstractHydrogen abstraction is essential for CH bond activation by Compound I in cytochrome P450 and is influenced by various factors, including spin states, bond dissociation energies of the CH and FeOH bonds, axial ligands, and quantum mechanical tunneling. The role of axial ligands has been extensively studied, but it is still not fully understood. To explore their role, we used density functional theory calculations to determine whether a linear free energy relationship is established for the hydrogen transfer reaction, according to changes in axial ligands. The B3LYP* functional exhibits a strong linear correlation, but the slopes are inconsistent with the characteristics of the transition state. Natural bond orbital analysis reveals no direct orbital interaction between axial ligands and the reaction center of hydrogen transfer. The electron‐donating orbitals of the axial ligands weaken the FeO bond, lowering the energy barrier, but they do not directly participate in the intrinsic hydrogen transfer. During the reaction, the FeO bond length increases significantly before the hydrogen transfer itself, generating an asynchronous shift in the bond orders, and most of the activation energy is used for the increase in the FeO bond rather than the hydrogen transfer itself. This study may explain why there is no apparent correlation between the rate constants and the FeO bond strength.
Synthesis of diverse aryl‐substituted amino propanes
Authors: Yoo Seyeon , Yi Sojeong , Ha Hyun‐Joon 
Published: February 2024

AbstractAmines bearing diverse aryl substituents for potential utilities as energy and new materials have been synthesized from aziridine‐2‐carboxaldehyde and diverse aryl‐containing substrates. At first two aryl groups were to yield (aziridine‐2‐yl)‐1,1‐diaryl‐methane which was converted to 5‐diarylmethyl oxazolidin‐2‐one as a synthetic intermediate. They were further reacted with another aryl group in the presence of methanesulfonic acid to yield 2,3,3‐triarylpropylamine with the possible carbenium ion intermediate. In addition, this reaction with a second additional phenolic aryl group gave rise to the diversely substituted 3‐(4‐methoxyphenyl)‐(2,3‐dihydrobenzofuran‐2‐yl)methanamine derived from the intramolecular aziridine ring‐opening reaction by hydroxy group at phenol.
Determination of three C18‐oxygenated steroids in adrenal lesion segments in primary aldosteronism by super‐selective adrenal venous sampling and LC/ESI–MS/MS
Authors: Mizumoto Yuka , Hirakawa Ayaka , Sugiura Yuki , Nishikawa Tetsuo , Nishimoto Koshiro , Mano Yasunari , Higashi Tatsuya 
Published: February 2024

AbstractSuper‐selective adrenal venous sampling (ssAVS) can collect the adrenal tributary venous blood in the aldosterone (ALD)‐hypersecreting segments in primary aldosteronism. The concentrations of the C18‐oxygenated steroids, especially 18‐oxocortisol (18‐oxoF), in the lesion segments might be more useful indices than those in the peripheral or adrenal central veins (current candidate indexes) for the differential diagnosis of unilateral ALD‐producing adenoma (APA) and bilateral adrenal hyperplasia (BAH). To verify this hypothesis, we developed a liquid chromatography/electrospray ionization‐tandem mass spectrometry (LC/ESI–MS/MS) method for simultaneously quantifying ALD, 18‐oxoF and 18‐hydroxycortisol in the adrenal tributary venous serum sample collected by ssAVS (ssAVS serum) and compared their concentrations between APA and BAH patients. Only deproteinization was required for a 10 μl sample prior to the LC/ESI–MS/MS analysis. Endogenous corticoids did not interfere with the quantifications, and the intra‐assay and interassay precisions (≤ 8.3%) and accuracies (94.2–102.7%) were acceptable. The clinical study revealed that the 18‐oxoF concentration was significantly higher in the ALD‐producing tumor tissues (from APA patients) than in the hyperplastic tissues (from BAH patients). However, in conclusion, the 18‐oxoF concentration in the ssAVS serum sample can be a rough indication but cannot be decisive for the differential diagnosis between APA and BAH owing to the significant individual difference.
Exploring the associations between physical activity level, cognitive performance, and response to computerized cognitive training among chronic stroke patients
Authors: Sanders Anne‐Marthe , Richard Geneviève , Kolskår Knut , Ulrichsen Kristine M. , Alnæs Dag , Dørum Erlend S. , Ihle‐Hansen Hege , Pedersen Mads L. , Nordvik Jan Egil , Westlye Lars T. 
Published: February 2024

AbstractBackgroundPost‐stroke attentional and working memory deficits are common and represent relevant predictors of long‐term functional recovery and outcome. The individual responses to cognitive rehabilitation and interventions vary between patients and are influenced by multiple factors. Recently, a link between the level of engagement in physical activities and cognitive rehabilitation has been suggested. However, few previous studies have tested the predictive value of physical activity on cognitive performance and response to cognitive training among chronic stroke patients. There is also a lack of knowledge concerning the prognostic value of index stroke characteristics on physical activity in chronic phase.MethodIn this cross‐sectional and longitudinal study, including stroke survivors suffering mild‐to‐moderate strokes (n = 52, mean age = 70 years), we used Bayesian regression to test the association between cognitive performance and response to a 3‐week intervention with a commonly used computerized cognitive training (CCT) system and baseline physical activity level measured with International Physical Activity Questionnaire. We also tested the association between physical activity level in chronic phase and stroke characteristics, including stroke severity (National Institutes of Health Stroke Scale), ischemic stroke etiology (Trial of Org 10172 in Acute Stroke Treatment), and stroke location (n = 66, mean age = 68 years). For descriptive purposes, we included 104 sex‐ and age‐matched healthy controls (mean age = 69 years).ResultsThe analyses revealed anecdotal evidence of a positive association between overall cognitive performance and daily minutes of sedentary behavior, indicating that better cognitive performance was associated with more daily hours of sitting still. We found no support for an association between cognitive performance and response to CCT with activity level. In addition, the analysis showed group differences in sedentary behavior between patients with small‐vessel disease (n = 20) and cardioembolism (n = 7), indicating more sedentary behavior in patients with small‐vessel disease. There was no further support for a predictive value of index stroke characteristics on physical activity level.ConclusionThe results do not support that baseline physical activity level is a relevant predictor of the overall performance or response to CCT in this sample of chronic stroke patients. Similarly, the analyses revealed little evidence for an association between index stroke characteristics and future activity level in patients surviving mild‐to‐moderate stroke.
Prediction of clinical progression of subjective cognitive decline through alterations in morphology and structural covariance networks
Authors: Hu Zheqi , Zhang Xue , Hou Xinle , Wang Lianlian , Chen Haifeng , Huang Lili , Yang Dan , Mo Yuting , Xu Yun , Bai Feng 
Published: February 2024

AbstractBackgroundSubjective cognitive decline (SCD) is a preclinical, asymptomatic stage of Alzheimer's disease (AD). Early identification and assessment of progressive SCD is crucial for preventing the onset of AD.MethodsThe study recruited 60 individuals diagnosed with SCD from the Alzheimer's Disease Neuroimaging Initiative (ADNI) database. Participants were divided into two groups: progressive SCD (pSCD, 23 individuals) and stable SCD (sSCD, 37 individuals) based on their progression to mild cognitive impairment (MCI) within 5 years. Cortical thickness, volumes of the hippocampus subfield, and subcortical regions were analyzed using T1‐weighted images and the FreeSurfer software. Network‐based statistics (NBS) were performed to compare structural covariance networks (SCNs) between the two groups.ResultsResults showed that the pSCD group showed significant atrophy of the hippocampal‐fimbria (p = .018) and cortical thinning in the left transverse temporal (cluster size 71.84 mm2, cluster‐wise corrected p value = .0004) and left middle temporal gyrus (cluster size 45.05 mm2, cluster‐wise corrected p value = .00639). The combination of these MRI features demonstrated high accuracy (AUC of 0.86, sensitivity of 78.3%, and specificity of 89.3%). NBS analysis revealed that pSCD individuals showed an increase in structural networks within the default mode network (DMN) and a decrease in structural connections between the somatomotor network (Motor) and DMN networks.ConclusionOur findings demonstrate that atrophy of the hippocampus and thinning of the cortex may serve as effective biomarkers for early identification of individuals at high risk of cognitive decline. Changes in connectivity within and outside of the DMN may play a crucial role in the pathophysiology of pSCD.
Barriers to adopting circular business models: A cross‐sectoral analysis
Authors: Brändström Johan , Jazairy Amer , Roos Lindgreen Erik 
Published: February 2024

AbstractFirm‐level adoption of circular business models is a crucial part of the transition toward circular economy, but companies that delve into such pursuits often encounter a series of barriers that hamper their success. Although multiple studies on barriers to circular economy have been made, there is a lack of understanding of how barriers are formed under firm‐specific characteristics such as sectoral conditions and the type of circular business model adopted. To bridge this gap, we illustrate a barrier framework in a multiple‐case study including nine Swedish firms. We derived about 28 barriers within five categories of circularity approaches (design, waste, service, platform, and nature) across three sectors (furniture, electronics, and garment). This research contributes to the circular economy literature by revealing how adhering to certain sectors and circular business approaches significantly changes the way barriers are perceived by firms. The outcomes may support both practitioners and policymakers as they facilitate circular economy transitions.
Referred molecular testing as a barrier to optimal treatment decision making in metastatic non‐small cell lung cancer: Experience at a tertiary academic institution in Canada
Authors: Grafham Grace K. , Craddock Kenneth J. , Huang Weei‐Yuarn , Louie Alexander V. , Zhang Liying , Hwang David M. , Parmar Ambica 
Published: February 2024

AbstractBackgroundMolecular testing is critical to guiding treatment approaches in patients with metastatic non‐small cell lung cancer (mNSCLC), with testing delays adversely impacting the timeliness of treatment decisions. Here, we aimed to evaluate the time from initial mNSCLC diagnosis to treatment decision (TTD) following implementation of in‐house EGFR, ALK, and PD‐L1 testing at our institution.MethodsWe conducted a retrospective chart review of 165 patients (send‐out testing, n = 92; in‐house testing, n = 73) with newly diagnosed mNSCLC treated at our institution. Data were compared during the send‐out (March 2017–May 2019) and in‐house (July 2019–March 2021) testing periods. We performed a detailed workflow analysis to provide insight on the pre‐analytic, analytic, and post‐analytic intervals that constituted the total TTD.ResultsTTD was significantly shorter with in‐house testing (10 days vs. 18 days, p < 0.0001), driven largely by decreased internal handling and specimen transit times (2 days vs. 3 days, p < 0.0001) and laboratory turnaround times (TAT, 3 days vs. 8 days, p < 0.0001), with 96% of in‐house cases meeting the international guideline of a ≤ 10‐day intra‐laboratory TAT (vs. 74% send‐out, p < 0.001). Eighty‐eight percent of patients with in‐house testing had results available at their first oncology consultation (vs. 52% send‐out, p < 0.0001), and all patients with in‐house testing had results available at the time of treatment decision (vs. 86% send‐out, p = 0.57).ConclusionOur results demonstrate the advantages of in‐house biomarker testing for mNSCLC at a tertiary oncology center. Incorporation of in‐house testing may reduce barriers to offering personalized medicine by improving the time to optimal systemic therapy decision.
Comparative survival analysis of bladder preservation therapy versus radical cystectomy in muscle‐invasive bladder cancer
Authors: Kang Nai‐Wen , Feng Yin‐Hsun , Lin Kuei‐Li , Chen Yi‐Chen , Ho Chung‐Han , Yang Ching‐Chieh 
Published: February 2024

AbstractBackgroundBladder preservation therapy is an alternative to radical cystectomy in patients with muscle‐invasive bladder cancer (MIBC). The purpose of this study is to compare survival outcomes between bladder preservation therapy and radical cystectomy in MIBC patients using an Asian nationwide cancer registry database.MethodsFrom the Taiwan Cancer Registry database and the Taiwan National Health Insurance Research Database, we identified bladder cancer patients from 2008 to 2018. The patients with urothelial carcinoma and clinical stage T2‐T4aN0‐1 M0 were included. Propensity score matching by age, gender, clinical stage, cT classification, and Charlson Comorbidity Index score was used between those receiving bladder preservation therapy or radical cystectomy. Overall survival (OS), cancer‐specific survival (CSS), and disease‐free survival (DFS) were compared using the Kaplan–Meier method. Multivariate Cox regression models were used to determine the predictive factors of OS, CSS, and DFS.ResultsFollowing the propensity score matching, 393 MIBC patients were analyzed, 131 (33.3%) receiving bladder preservation therapy and 262 (66.7%) receiving radical cystectomy. After 5 years of the follow‐up period the overall duration was with a median of 15.6 months. The treatment groups did not differ significantly in OS, CSS, and DFS (p = 0.2681, 0.7208, and 0.3616, respectively). In multivariable Cox regression models, bladder preservation therapy remained non‐inferior to radical cystectomy in OS (adjusted hazard ratio [aHR] 1.08; 95% confidence interval [CI], 0.77–1.50; p = 0.6689), CSS (aHR, 1.06; 95% CI, 0.72–1.57; p = 0.7728), and DFS (aHR, 0.76; 95% CI, 0.46–1.27; p = 0.2929). Additionally, among patients ≥80 years, the use of bladder preservation therapy compared with radical cystectomy resulted in an equivalent OS, CSS and DSS.ConclusionIn Asian populations, bladder preservation therapy yielded similar survival outcomes as radical cystectomy in MIBC patients. Based on the results, it is evident that a multidisciplinary approach and shared decision‐making are recommended for bladder cancer treatment.
Factors Influencing Clinicians', Health Visitors' and Social Workers' Professional Judgements, Decision‐Making and Multidisciplinary Collaboration When Safeguarding Children with Burn Injuries: A Qualitative Study
Authors: Cowley Laura E. , Bennett C. Verity , Quinn‐Scoggins Harriet D. , Nuttall Diane , Wilkins David , Kemp Alison M. 
Published: February 2024

AbstractBurns are a common injury to young children, sometimes related to neglect or physical abuse. Emergency department (ED) clinicians, health visitors and social workers must work collaboratively when safeguarding children with burns; however, little is known about the factors influencing their professional judgements, decision‐making and multidisciplinary collaboration. Objective was to explore factors affecting ED clinicians', health visitors' and social workers' professional judgements and decision‐making when children present to the ED with burns, and experiences of multidisciplinary collaboration, to identify areas for improvement. This was a qualitative semi‐structured interview study using purposive and snowball sampling to recruit participants. Data were analysed using ‘codebook’ thematic analysis. Four themes were identified: ‘perceived roles and responsibilities when safeguarding children with burn injuries’, ‘factors influencing judgment of risk and decision‐making’, ‘information sharing’ and ‘barriers and facilitators to successful multidisciplinary collaboration’. There is limited understanding between the groups about each other's roles. Each agency is dependent on one another to understand the full picture; however, information sharing is lacking in detail and context and hindered by organisational and resource constraints. Formal opportunities for multiagency team working such as strategy meetings can be facilitators of more successful collaborations. Professionals may benefit from multiagency training to improve understanding of one another's roles. Greater detail and context are needed when notifying health visitors of burn injuries in children or making a referral to children's services.
Alkaloids from Fritillaria przewalskii Bulbs and Their Anti‐Alzheimer's Disease Activities
Authors: Ma Rui‐Xue , Zhang Shu‐Li , Lin Feng‐Ke , Zhu Ming‐Ming , Zhu Dong‐Rong , Liu Yu‐Ming 
Published: February 2024

AbstractThree undescribed isosteroidal alkaloids, przewalskines A−C (1–3), as well as seven known alkaloids (4–10) were obtained from Fritillaria przewalskii bulbs. Their structures were deduced by extensive HRESIMS, 1D NMR, and 2D NMR analyses, and their bioactivities were evaluated involving the anti–inflammatory and inhibitory potencies on AChE, BChE, and Aβ aggregation. Compound 4 revealed the potent effect on inhibiting Aβ aggregation activity with IC50 value of 33.1 μM, AChE activity with IC50 value of 6.9 μM, and also showed NO release inhibitory acitivity with IC50 value of 32.6 μM. These findings contribute new multi‐.target anti–AD agents and embody the chemical diversity of F. przewalskii.
Systematic Analysis of the MIO‐forming Residues of Aromatic Ammonia Lyases
Authors: Brack Yannik , Sun Chenghai , Yi Dong , Bornscheuer Uwe T. 
Published: February 2024

AbstractAromatic ammonia lyases (AALs) and tyrosine/phenylalanine ammonia mutases (TAM/PAM) are 3,5‐dihydro‐5‐methylidene‐4H‐imidazol‐4‐one (MIO)‐dependent enzymes. Usually, the MIO moiety is autocatalytically formed from the tripeptide Ala‐Ser‐Gly (ASG) and acts as an electrophile during the enzymatic reaction. However, the MIO‐forming residues (ASG) have some diversity in this enzyme class. In this work, a systematic investigation on the variety of MIO‐forming residues was carried out using in‐depth sequence analyses. Several protein clusters of AAL‐like enzymes with unusual MIO‐forming residues such as ACG, TSG, SSG, and CSG were identified, including two novel histidine ammonia lyases and one PAM with CSG and TSG residues, respectively, as well as three novel ergothioneine trimethylammonia lyases without MIO motif. The mutagenesis of common MIO‐groups confirmed the function of these MIO variants, which provides good starting points for future functional prediction and mutagenesis research of AALs.
Palladium‐Catalyzed Synthesis of Carboxylic Acid Anhydrides from Alkenes via in situ Generated Carboxylic Acids
Authors: Ramakrishnan Ashok , Bouwman Elisabeth 
Published: February 2024

AbstractWe herein present a carbonylative strategy to synthesize carboxylic acid anhydrides from alkenes from in situ generated carboxylic acids. Formic acid (FA) reacts with alkene and CO under catalytic conditions to generate carboxylic acids. With our established palladium‐based catalytic reaction conditions and modulating the alkene:formic acid ratio to at least 2 : 1, acid anhydrides were effectively generated from alkenes. The catalytic process was applied to various alkenes, simple as well as with various functional groups, to give moderate to excellent yields as observed with NMR and upon isolation of the corresponding (linear) amide produced on derivatization. Furthermore, one‐pot derivatization of the reaction mixtures provides direct access to various acyl‐based molecules including phenolic esters, primary amides, thioesters and ketones, which otherwise require special conditions for their synthesis via carbonylation.
Advancements in Ni‐based Catalysts for Direct Urea Fuel Cells: A Comprehensive Review
Authors: Putri Yulia M. T. A. , Syauqi Muhammad I. , Rahmawati Isnaini , Aliyah Aliyah , Sanjaya Afiten R. , Ivandini Tribidasari A. 
Published: February 2024

AbstractThe growing demand for sustainable energy sources has spurred significant studies to optimize the potency of fuel cell technology. Direct urea fuel cell (DUFC) has gained attention due to their energy density, eco‐friendliness, and potential applications in power generation using urea from various sources, including wastewater and urine. Efficient electrocatalysts are pivotal in DUFCs, and nickel‐based catalysts, particularly in the form of NiOOH, have demonstrated cost effectiveness, excellent stability in alkaline media, and good activity for urea oxidation reaction. However, low‐density and durability are still the major limitation in the overall DUFC performance. This review provides a comprehensive analysis of the latest development in Ni‐based catalysts, covering synthesis methods, factors influencing the catalytic activity as well as their implications for DUFC performance durability and commercial viability. In addition, another important factor including the use of different oxidant and electrolyte medium is also elaborated. Based on this review, 2D‐3D Ni‐based materials with the addition of other metals and the use of non‐oxide nickel binary compound are predicted to be the future evolution of the effective nickel‐based catalysts.