bluuebunny/crossref_metadata_2025_split huggingface dataset:
On‐surface Synthesis of Multiple Non‐benzenoid Carbohelicenes Fused with Fluorene Unit(s)
Authors: Xiong Wei , Geng Xi , Lu Jianchen , Niu Gefei , Fu Boyu , Zhang Yi , Li Shicheng , Yang Yuhang , Li Nianqiang , Gao Lei , Cai Jinming 
Published: July 2024

Comprehensive SummaryCarbohelicenes have garnered considerable attention for their inherent chirality and structural flexibility. Increasing multi‐helicity and incorporating non‐six‐membered rings to substitute benzenoid rings within helicenes are effective strategies for introducing unique photoelectric properties. Despite the disclosure of numerous helicenes, the inaccessible precursors and the lack of synthetic routes pose a challenge in achieving desired helicene structures fused with non‐benzenoid rings. Herein, we report the synthesis of multiple non‐benzenoid carbohelicenes fused with fluorene unit(s) through intramolecular cyclodehydrogenation of 9,10‐di(naphthalen‐1‐ yl)anthracene on Au(111) surface. Two potential cyclodehydrogenation manners between naphthyl and anthracene lead to the formation of fluorene‐fused [5]helicene and [4]helicene moiety. Consequently, a total of four stable products were observed. The atomic topographies of products are characterized by bond‐resolving scanning tunneling microscopy. The chiral helicity of targeted products can be switched by tip manipulation. Density‐functional‐theory calculations unveils the reaction pathway of four products. The comparative analysis of their respective energy barriers exhibits a correlation with the experimentally determined yields. Furthermore, we synthesize the polymer chains incorporating non‐benzenoid carbohelicenes via the Ullmann reaction of 2,6‐dibromo‐9,10‐di(1‐naphthyl)anthracene precursors. Our work proposes a synthetic methodology for several novel helicene‐like structures fused with fluorene units and the polymer bearing helicene subunits, thus highlighting the immense potential of these compounds in the application fields of luminescent electronic devices.
Performance evaluation of different machine learning algorithms for prediction of nitrate in groundwater in Thiruvannamalai District
Authors: Jacob Christina , Masilamani Uma Shankar 
Published: July 2024

AbstractThe prevalence of nitrates (NO3−) in groundwater due to the extensive application of fertilizers and anthropogenic sources pollutes the groundwater. Machine learning (ML) techniques are now being increasingly deployed to achieve high precision in predicting water quality. This study assesses the efficacy of nine distinct ML algorithms, namely, linear regression, polynomial regression, decision tree, random forest (RF), support vector machine, multilayer perceptron regressor, eXtreme gradient boosting (XGB), light gradient boosting (LGB), and K‐nearest neighbors to predict nitrate concentration in the groundwater in Thiruvannamalai District, Tamil Nadu. Overall, 360 water samples for 1 year and 14 groundwater variables were determined to predict nitrate. Performance evaluation metrics such as root mean square error (RMSE), moving average error (MAE), and correlation coefficient (R2) were evaluated for pre‐monsoon, monsoon, and post‐monsoon seasons. For all three seasons, RF predicted the nitrate concentration with low values of RMSE, MAE, and higher values of R2. The results show values for RF with: RSME: 0.49, MAE: 1.30, and R2: 0.94, which has a higher prediction tailed by LGB and XGB and is true for all the seasons. The results from the study will aid the policymakers in planning the strategy for remediation.
Real‐world genetic testing outcomes of pan‐cancer testing for mismatch repair deficiency
Authors: Chai Teresa S. , Rodgers‐Fouche Linda H. , Walls Jenna O. , Mattia Anthony R. , Chung Daniel C. 
Published: July 2024

AbstractBackgroundIn 2017, the Food and Drug Administration approved pembrolizumab for treatment of any mismatch repair–deficient (dMMR) tumor making MMR immunohistochemistry (IHC) testing beneficial for all tumor types. For the first time, MMR IHC was not performed exclusively to screen for Lynch syndrome (LS).MethodsIn this study, all MMR IHC reports issued between 2017 and 2021 at an academic hospital were reviewed and completion of genetic testing was determined through chart review. Colorectal cancers (CRCs), endometrial cancers (ECs), and noncancerous lesions were excluded.ResultsBetween 2017 and 2021, MMR IHC was completed in 1939 patients with a malignancy other than CRC or EC. Absent or weak staining for at least one MMR protein was detected in 115 (5.9%) patients and 59 (51%) of those completed germline genetic testing. Overall, the identification rate of LS in this cohort was 0.72%, which is similar to the rate in our previously reported CRC and EC universal screening cohort. A diagnosis of LS was most commonly made in patients with dMMR brain (18.75%) and small intestinal cancers (10.20%). Five additional patients were found to carry a pathogenic variant in a non‐LS gene.ConclusionsPan‐cancer MMR testing for pembrolizumab consideration can identify LS cases at a rate similar to universal CRC and EC screening programs. A persistent challenge is subsequent uptake of genetic testing. MMR testing should be prioritized in brain and small intestinal tumors, and multigene panel testing is recommended in patients with dMMR, as unexpected pathogenic variants in non‐LS genes were found as frequently as LS gene variants.
The Bioequivalence of Abexinostat (CRA‐024781) Tosylate Tablets (20 mg) in Chinese Healthy Subjects Under Fasting Conditions
Authors: Li Xiang , Guo Wenqiang , Chen Jian , Tan Gewen 
Published: July 2024

AbstractThis study aimed to investigate the pharmacokinetic parameters of single oral administration of postchange and prechange abexinostat (CRA‐024781) tosylate tablets in Chinese healthy subjects under fasting conditions, and assess the bioequivalence (BE) of the 2 formulations (Test [T1] and Reference [T2]). This study was a randomized, open‐label, 2‐formulation, fasting administration, single‐dose, 2‐sequence, 2‐cycle, crossover BE study. Thirty‐six subjects were enrolled in the study and 33 subjects completed 2 cycles. The plasma concentrations were determined by liquid chromatography‐tandem mass spectrometry. The 90% confidence intervals (CIs) for the Cmax, AUC0‐t, and AUC0‐∞ of CRA‐024781 and its 2 major metabolites (PCI‐27789 and PCI‐27887, both metabolites are pharmacologically inactive on HDAC1) fell within the acceptable range of 80%‐125%. The results suggest that the CRA‐024781 test preparation (Test [T1]) is bioequivalent to the reference preparation (Reference [T2]) in healthy Chinese subjects under fasting conditions.
Molecular Insights of 5‐Hydroxymethylfurfural in a Mixture of Ionic Liquids and Alkylated Phenolic Solvents
Authors: Jha Sweta , Sappidi Praveenkumar 
Published: July 2024

AbstractThis paper presents all‐atom molecular dynamics to understand the separation behavior of 5‐hydroxymethylfurfural (5‐HMF) from 1‐butyl‐3‐methylimidazolium tetrafluoroborate [BMIM]+[BF4]− using alkylated phenols as extractants. We have utilized four solvents such as 4‐methyl phenol (4‐MP), 4‐ethyl phenol (4‐EP), 4‐propyl phenol (4‐PP), and 4‐butyl phenol (4‐BP). We perform structural, dynamic, and rigorous thermodynamic analyses of 5‐HMF in the mixture of ILs and solvents. The [BMIM]+[BF4]− show a strong interaction with phenols. The self‐diffusion coefficient of 5‐HMF shows a 3‐fold increase with a decrease in the methyl group on the phenol. The solvation‐free energy (ΔGsolvation) of 5‐HMF shows favorably in phenols. On the other hand, the transfer free energy (ΔGtransfer) of 5‐HMF presents favorable from ILs to phenols. The partition coefficient (log P) values show favorability for separation of 5‐HMF using phenols. Overall, the molecular level analysis provides the role of the alkyl group effect on the phenols for extracting 5‐HMF from the ILs.
Discovery of 5‐(1‐benzyl‐1H‐imidazol‐4‐yl)‐1,2,4‐oxadiazole derivatives as novel RIPK1 inhibitors via structure‐based virtual screening
Authors: Yu Yanzhen , Hu Yunzhen , Yan Huihui , Zeng Xin , Yang Haodong , Xu Lei , Sheng Rong 
Published: July 2024

AbstractRIPK1 plays a key role in necroptosis and is associated with various inflammatory diseases. Using structure‐based virtual screening, a novel hit with 5‐(1‐benzyl‐1H‐imidazol‐4‐yl)‐1,2,4‐oxadiazole scaffold was identified as an RIPK1 inhibitor with an IC50 value of 1.3 μM. Further structure–activity relationship study was performed based on similarity research and biological evaluation. The molecular dynamics simulation of compound 2 with RIPK1 indicated that it may act as a type II kinase inhibitor. This study provides a highly efficient way to discover novel scaffold RIPK1 inhibitors for further development.
Stigma of Binge‐Eating Disorder in Hong Kong Chinese Adults: Effects of Weight Status, Diagnostic Labeling, and Etiological Explanations
Authors: Chan Wai Sze , Po Shuk Kwan , Ng Albe Sin Ying 
Published: July 2024

ABSTRACTObjectiveBinge‐eating disorder (BED) is a strongly stigmatized condition and is often complicated by weight stigma. Research on the intersection between BED and weight stigma is scarce especially in Chinese populations. The present study examined BED stigma in Chinese, whether BED stigma was independent from weight stigma, and whether diagnostic labeling and etiological explanations influenced the degree of BED stigma.MethodUsing a between‐subject experimental vignette study, 642 participants (mean age = 29.74 years, SD = 11.34) were randomly assigned to read one of the 18 vignettes, describing a character with information on BED symptoms, weight status, diagnostic labeling, and etiological explanations, followed by measures of stigma and help‐seeking intentions.ResultsThe character with BED symptoms was ascribed more negative personality characteristics, elicited more negative affective reactions, and triggered greater desired social distance compared to the character without BED symptoms. No evidence for weight stigma was found nor for its interaction with BED stigma. The Cantonese diagnostic label of BED, kwong sik zing, was associated with lower levels of volitional stigma and greater help‐seeking intentions than the diagnostic label of eating disorders, jam sik sat tiu, and the absence of labeling. The effect of etiological explanations was only significant in the univariate test, indicating that providing either a psychosocial or a biogenetic etiological explanation lessened the negative evaluations of personality characteristics.DiscussionThe present study provided first evidence for BED stigma in Chinese. BED stigma appeared to be attributable to the presence of disordered eating behavior rather than the BED diagnosis.
Catheter‐based ablation to improve outcomes in patients with atrial fibrillation and heart failure with preserved ejection fraction: Rationale and design of the CABA‐HFPEF‐DZHK27 trial
Authors: Parwani Abdul S. , Kääb Stefan , Friede Tim , Tilz Roland Richard , Bauersachs Johann , Frey Norbert , Hindricks Gerhard , Lewalter Thorsten , Rienstra Michiel , Rillig Andreas , Scherr Daniel , Steven Daniel , Kirchhof Paulus , Pieske Burkert 
Published: July 2024

AbstractAimsAtrial fibrillation (AF) is common in heart failure (HF) and negatively impacts outcomes. The role of ablation‐based rhythm control in patients with AF and HF with preserved (HFpEF) or mildly reduced ejection fraction (HFmrEF) is not known. The CABA‐HFPEF‐DZHK27 (CAtheter‐Based Ablation of atrial fibrillation compared to conventional treatment in patients with Heart Failure with Preserved Ejection Fraction) trial will determine whether early catheter ablation for AF can prevent adverse cardiovascular outcomes in patients with HFpEF or HFmrEF.MethodsCABA‐HFPEF‐DZHK27 (NCT05508256) is an investigator‐initiated, prospective, randomized, open, interventional multicentre strategy trial with blinded outcome assessment. Approximately 1548 patients with paroxysmal or persistent AF diagnosed within 24 months prior to enrolment and HFpEF or HFmrEF will be randomized to early catheter ablation within 4 weeks after randomization or to usual care. All patients receive anticoagulation, rate control, and HF management according to current guideline recommendations. Usual care can include rhythm control in symptomatic patients. Patients will be followed until the end of the trial for the primary outcome, a composite of cardiovascular death, stroke, and total unplanned hospitalizations for HF or acute coronary syndrome. The safety outcome comprises complications of catheter ablation and death. The trial is powered for a rate ratio of 0.75 (two‐sided alpha = 0.05, 1‐beta = 0.8).ConclusionCABA‐HFPEF‐DZHK27 will define the role of systematic and early catheter ablation in patients with AF and HFpEF or HFmrEF.
Chronic cannabis use alters the spontaneous and oscillatory gamma dynamics serving cognitive control
Authors: Schantell Mikki , John Jason A. , Coutant Anna T. , Okelberry Hannah J. , Horne Lucy K. , Glesinger Ryan , Springer Seth D. , Mansouri Amirsalar , May‐Weeks Pamela E. , Wilson Tony W. 
Published: July 2024

AbstractRegular cannabis use is associated with cortex‐wide changes in spontaneous and oscillatory activity, although the functional significance of such changes remains unclear. We hypothesized that regular cannabis use would suppress spontaneous gamma activity in regions serving cognitive control and scale with task performance. Participants (34 cannabis users, 33 nonusers) underwent an interview regarding their substance use history and completed the Eriksen flanker task during magnetoencephalography (MEG). MEG data were imaged in the time‐frequency domain and virtual sensors were extracted from the peak voxels of the grand‐averaged oscillatory interference maps to quantify spontaneous gamma activity during the pre‐stimulus baseline period. We then assessed group‐level differences in spontaneous and oscillatory gamma activity, and their relationship with task performance and cannabis use metrics. Both groups exhibited a significant behavioral flanker interference effect, with slower responses during incongruent relative to congruent trials. Mixed‐model ANOVAs indicated significant gamma‐frequency neural interference effects in the left frontal eye fields (FEF) and left temporoparietal junction (TPJ). Further, a group‐by‐condition interaction was detected in the left FEF, with nonusers exhibiting stronger gamma oscillations during incongruent relative to congruent trials and cannabis users showing no difference. In addition, spontaneous gamma activity was sharply suppressed in cannabis users relative to nonusers in the left FEF and TPJ. Finally, spontaneous gamma activity in the left FEF and TPJ was associated with task performance across all participants, and greater cannabis use was associated with weaker spontaneous gamma activity in the left TPJ of the cannabis users. Regular cannabis use was associated with weaker spontaneous gamma in the TPJ and FEF. Further, the degree of use may be proportionally related to the degree of suppression in spontaneous activity in the left TPJ.
How do dental practices respond to changes in scope of practice regulations?
Authors: Nasseh Kamyar , Bowblis John R. , Wing Coady 
Published: July 2024

AbstractRegulations that restrict the tasks that credentialed workers are allowed to perform may affect a firm's input choices, output, and which part of the market the firm serves. Using dental practice survey data from 1989 to 2014 and a stacked difference‐in‐differences design, this paper examines the effects of state‐level scope of practice regulations on the behavior of dental practices. Results suggest that scope of practice deregulation in regards to dental hygienists' ability to administer nitrous oxide or local anesthesia is associated with fewer dentist visits per week in the short‐term, lower patient wait times, and an increased likelihood of treating lower revenue generating publicly insured patients. There is weak evidence that scope of practice deregulation alters a practice's labor inputs.
The effect of vertical identification card laws on teenage tobacco and alcohol use
Authors: Mtenga Erica Louis , Pesko Michael F. 
Published: July 2024

AbstractWe study the impact of vertical identification card laws, which changed the orientation of driver's licenses and state identification cards from horizontal to vertical for those under 21 years, on teenage tobacco and alcohol use. We study this question using four national datasets (pooled national and state Youth Risk Behavior Surveillance System, National Youth Tobacco Survey, Current Population Survey to Tobacco Use Supplements, and Behavioral Risk Factor Surveillance System). We improve previous databases of vertical ID law implementation by using original archival research to identify the exact date of the law change. We estimate models using standard two‐way fixed effects and stacked difference‐in‐differences that avoid bias from dynamic and heterogeneous treatment effects. Using data through 2021, we do not find evidence of reductions in teenage tobacco and alcohol use. While these laws reduce retail‐based purchasing, they also increase social sourcing, thus leading to no net impact on use.
Health literacy and non‐communicable disease knowledge of pregnant women and mothers in Tasmania: Qualitative exploration
Authors: Melwani Satish , Cleland Verity , Patterson Kira , Nash Rosie 
Published: July 2024

AbstractIssue AddressedThe World Health Organisation is prioritising health literacy development to address the growing burden of non‐communicable diseases (NCDs). Empowering pregnant women and mothers through health literacy development may help to reduce the intergenerational impact of NCDs. However, significant gaps exist in understanding the health literacy needs of this priority population globally.MethodsThis study aimed to qualitatively explore the health literacy strengths and challenges as well as NCDs knowledge and beliefs of pregnant women and mothers with young children (0–8 years) in Tasmania. Data were collected online using in‐depth semi‐structured interviews and analysed inductively using reflexive thematic analysis.ResultsTwenty women (mean age 35.5 years, standard deviation 5.13) participated. Four parent themes were generated from the data: perceived knowledge and awareness of NCDs and their causative factors; social determinants of health and the surrounding environment; social networks and peer support as health navigator; and trust in health services and social connections. These themes highlighted diverse factors that influenced the participant's access and use of health information and services and their engagement in healthy lifestyle practices and active health management.ConclusionParticipants demonstrated good knowledge and awareness about NCDs and associated risk factors but experienced numerous health literacy strengths and challenges which influenced their access to health care and engagement in healthy lifestyle practices.So WhatThis study highlights the need to address the diverse health literacy needs of pregnant women and mothers through codesigning locally informed health literacy development strategies combined with the creation of enabling service environments to reduce the growing burden of NCDs.
The variational approach to study the mixed convection boundary layer flow over a permeable Riga plate
Authors: Muthukumaran Chandrasekar , Semmandapatti Mohankumar Anitha , Malayampalayam Sathasivam Kasiviswanathan 
Published: July 2024

AbstractThe physical problem of steady state, laminar, mixed convection (Ri) with double‐diffusive (N) in an electrically low conducting fluid past a semi‐infinite electromagnetic () influenced flat plate with internal uniform heat generation (Q) in the presence of suction/injection (H) by considering viscous dissipation (Ec), thermophoresis (Nt) and thermal diffusion effects (Sr) is mathematically modeled as a simultaneous system of nonlinear partial differential equations. To achieve the solution of the problem numerically, Gyarmati's variational principle known as the “Governing Principle of Dissipative Processes” on the basis of nonequilibrium thermodynamic processes in the theory of continua, is adopted. This research work correlates the phenomenon of fluid around submersibles/space vehicles and provides related insights. To estimate the transportation fluid fields within the boundary layer, the appropriate trial polynomials have been employed, and functionals for the integral variational principle are determined. Next, the Euler–Lagrange equations of the functionals are obtained as a system of polynomial equations involving boundary layer thicknesses of momentum, temperature, and concentration. The expressions of local shear stress, local Nusselt, and local Sherwood numbers have been derived and the effects of various physical factors involved in the problem are explored. A comparison with the previously published results in the literature is provided to confirm the validity of the solution procedure. The results depict that injection () and opposing buoyancy () decrease the skin friction about 38% in sea water and 11% in ionized air when compared to impermeable plate for . The aiding buoyancy () plays a dominant role in heat and mass transfers, respectively, with the massive gradients of 340% and 763% in magnitude for the heavier fluid sea water flow while 47% and 3% for the lighter fluid ionized air flow when . The buoyancy parameters (Ri, N) decrease the heat transfer, but increase the mass transfer.
Interface strengthening for carbon fiber‐reinforced poly(ether‐ether‐ketone) laminated composites by introducing fluorene‐containing branched poly(aryl‐ether‐ketone)
Authors: Liu Zheng , Fan Xuerong , Lu Xinghan , Shi Xuetao , Zhang Junliang , Guo Hua , He Mukun , Gu Junwei 
Published: July 2024

AbstractFluorene‐containing branched poly(aryl‐ether‐ketone) (BFPAEK) with terminal hydroxyl groups is synthesized by random copolycondensation reaction; then, the CF@BFPAEK/PEEK laminated composite is prepared by the “powder impregnation‐high temperature compression molding” method with poly(ether‐ether‐ketone) (PEEK) as the matrix and BFPAEK‐modified carbon fiber (CF@BFPAEK) as the reinforcement. When the content of branched units in BFPAEK is 10% and the coating amount of BFPAEK on the carbon fiber (CF) surface is 3 wt%, the CF@BFPAEK/PEEK laminated composite has outstanding mechanical properties, with an interlaminar shear strength (ILSS) of 57.3 MPa and flexural strength of 589.4 MPa, which are 80.2% and 44.3% higher than those of the pure CF/PEEK laminated composite (31.8 and 408.4 MPa), respectively. After 288 h of hydrothermal aging and high/low‐temperature alternating aging, the corresponding retention rate of ILSS and flexural strength are respectively 87.9% and 84.7%, higher than those of pure CF/PEEK laminated composites (74.5% and 70.4%). The thermal conductivity coefficient and temperature for 5% weight loss of CF@BFPAEK/PEEK laminated composite are 1.85 W m−1 K−1 and 538.0°C, respectively.