bluuebunny/crossref_metadata_2025_split huggingface dataset:
Progression of echocardiographic parameters and prognosis in transthyretin cardiac amyloidosis
Authors: Chacko Liza , Karia Nina , Venneri Lucia , Bandera Francesco , Passo Beatrice Dal , Buonamici Lodovico , Lazari Jonathan , Ioannou Adam , Porcari Aldostefano , Patel Rishi , Razvi Yousuf , Brown James , Knight Daniel , Martinez‐Naharro Ana , Whelan Carol , Quarta Candida C. , Manisty Charlotte , Moon James , Rowczenio Dorota , Gilbertson Janet A. , Lachmann Helen , Wechelakar Ashutosh , Petrie Aviva , Moody William E. , Steeds Richard P. , Potena Luciano , Riefolo Mattia , Leone Ornella , Rapezzi Claudio , Hawkins Philip N. , Gillmore Julian D. , Fontana Marianna 
Published: July 2022

AimsTransthyretin amyloid cardiomyopathy (ATTR‐CM) is an increasingly diagnosed disease. Echocardiography is widely utilized, but studies to confirm the value of echocardiography for tracking changes over time are not available. We sought to describe (i) changes in multiple echocardiographic parameters; (ii) differences in rate of progression of three predominant genotypes; and (iii) the ability of changes in echocardiographic parameters to predict prognosis.Methods and resultsWe prospectively studied 877 ATTR‐CM patients attending our centre between 2000 and 2020. Serial echocardiography findings at baseline, 12 months and 24 months were compared with survival. Overall, 565 patients had wild‐type ATTR‐CM and 312 hereditary ATTR‐CM (201 with V122I; 90 with T60A). There was progressive worsening of structural and functional parameters over time, patients with V122I ATTR‐CM showing more rapid worsening of left and right ventricular structural and functional parameters compared to both wild‐type and T60A ATTR‐CM. Among a wide range of echocardiographic analyses, including deformation‐based parameters, only worsening in the degree of mitral (MR) and tricuspid regurgitation (TR) at 12‐ and 24‐month assessments was associated with worse prognosis (change at 12 months: MR, hazard ratio 1.43 [95% confidence interval 1.14–1.80], p = 0.002; TR, hazard ratio 1.38 [95% confidence interval 1.10–1.75], p = 0.006). Worsening in MR remained independently associated with poor prognosis after adjusting for known predictors.ConclusionIn ATTR‐CM, echocardiographic parameters progressively worsen over time. Patients with V122I ATTR‐CM demonstrate the most rapid deterioration. Worsening of MR and TR were the only parameters associated with mortality, MR remaining independent after adjusting for known predictors.
Synthesis of 2,3‐Disubstituted Quinoline‐4‐carbonitriles through Truce–Smiles Rearrangement of Phenacyl‐4‐nitrobenzenesulfonamides
Authors: Králová Petra , Žáková Kateřina , Pospíšilová Lenka , Soural Miroslav 
Published: July 2022

Abstract2‐Aminobenzyl cyanide was sulfonylated with 4‐nitrobenzenesulfonyl chloride and reacted with 2‐haloketones and N,N‐diisopropylethylamine (DIPEA). 2,3‐Disubstituted quinoline‐4‐carbonitriles were obtained as the main products originating from subsequent N‐alkylation, base‐catalysed intramolecular C‐arylation, aldol condensation and aromatization. A single‐step protocol was successfully tested for various starting materials. Nevertheless, 3‐substituted quinoline‐4‐carbonitriles were received as the separable by‐products resulting from competitive denosylation. Some of the prepared compounds showed medium activity against E. coli.
Effects of different iron treatments on wine grape berry quality and peel flavonoid contents
Authors: Zhang Shu , Chen Heting , Gao Ming , Gu Chaofeng , Wang Rui 
Published: July 2022

AbstractIn this study, eight‐year‐old wine grape plants (Cabernet Sauvignon) were subjected to five different iron treatments: ferrous sulfate, ferric ethylenediaminetetraacetic acid (EDTA‐Fe), ferric citrate, ferric gluconate, and ferric sugar alcohol, and conventional fertilization. Foliar spraying with clear water was used as the control treatment. The effects of different iron treatments on berry quality and flavonoid accumulation in grape peels were explored. All five iron treatments affected the sugar, acid, and peel flavonoid contents of grape berries, but the contents varied greatly among the different iron treatments. Foliar spraying with iron increased berry sugar content and reduced acid content. In addition, foliar spraying with ferrous sulfate, EDTA‐Fe, ferric gluconate, and ferric sugar alcohol reduced the total anthocyanin, flavanol, and flavonol contents in the peel. The unique flavonoid monomer content of the peel was significantly higher under ferric citrate treatment than under the control and other iron treatments. Moreover, the results showed that foliar spraying with ferric citrate balanced the berry sugar–acid ratio and also increased the anthocyanin, flavanol, and flavonol contents of the grape peel, thereby improving the overall nutritional status of the berries and the final wine quality. The results obtained in this study demonstrate that different iron treatments could improve grape berry quality and clarify the effects of different exogenous iron treatments.
Political polarization and cooperation during a pandemic
Authors: Cornelson Kirsten , Miloucheva Boriana 
Published: July 2022

AbstractIn this paper, we examine the relationship between political polarization and individuals' willingness to contribute to the public good by engaging in preventative behaviors against COVID‐19. Using a sample of individuals from close‐election states, we first show that individuals engage in fewer preventative behaviors when the governor of their state is from the opposite party. We also show that this effect is concentrated among moderate individuals who live in polarized states, and that it is strongest when the state has been relatively forceful in combating COVID‐19. We estimate that the opposite‐party effect increased COVID‐19 cases by around 1%.
Parental decisions to divorce and have additional children among families with children with cerebral palsy: Evidence from Swedish longitudinal and administrative data
Authors: Müller Vibeke , Gerdtham Ulf , Alriksson‐Schmidt Ann , Jarl Johan 
Published: July 2022

AbstractThis study analyzes the relationship of having a child with the early‐onset disability cerebral palsy (CP) and the parental decision to divorce and to have additional children. We use longitudinal matched case‐control data from multiple linked Swedish National Population Registers between 2001 and 2015 and perform Cox proportional hazards regressions with interval‐censoring. Although we do not find a general excess parental divorce risk on CP relative to the comparison group without CP, we find that having a child with CP increases the risk of divorce for parents with low education. We also find that having a child with CP reduces the likelihood of having additional children, especially for mothers in the older age range (maternal age at delivery >33 years) and parents with low education. The severity level of the disability, as indicated by gross motor function, is not related to the results. These findings should be understood in the Swedish context, which provides extensive welfare support (e.g., personal assistance). If future studies would find adverse results in countries with less social care and benefits, our results may indicate that it is possible to mitigate negative consequences for the family of a child with disability.
Incidence and survival of benign, borderline, and malignant meningioma patients in the United States from 2004 to 2018
Authors: Cao Junguo , Yan Weijia , Li Guihong , Zhan Zhixin , Hong Xinyu , Yan Hong 
Published: July 2022

AbstractMeningioma is the most common primary central nervous system tumor, and its incidence is increasing. A systematic epidemiological and clinical analysis is required to better estimate its public health impact and understand its prognostic factors. Data were obtained from the Surveillance, Epidemiology, and End Results (SEER) database from 2004 to 2018 for all types of meningiomas without an age restriction. Age‐adjusted incidence rates (IRs) and 95% confidence intervals were estimated according to sex, age, race, ethnicity, and tumor location. Kaplan‐Meier analysis and multivariate Cox proportional hazard models were used to analyze the overall survival (OS). The competing risk regression model of Fine‐Gray was used to analyze cause‐specific survival. Data from a total of 109 660 meningioma patients were analyzed. A majority of patients were older than 60 years, and only 0.41% of patients were 0‐19 years. The meningioma IRs were higher in females, Black, and non‐Hispanic patients than in males, White, and Hispanic patients, respectively, and IRs increased with age. The ratio of IRs for females to males was 2.1 and also increased with age, peaking at 3.6 in the 45‐49‐year‐old group. Older and male patients with all types of meningiomas, Black patients with benign and borderline meningiomas, and patients with larger borderline and malignant meningiomas showed poorer prognosis. For all meningioma types, surgical resection improved survival. The reported incidence rates and survival trends covered all demographics and subtypes of meningiomas. Older age, male sex, Black race, and tumor size may be important prognostic factors for meningioma cases, and tumor resection can substantially improve survival among meningioma patients.
The influence of corporate governance and shareholding structure on corporate social responsibility: The key role of executive compensation
Authors: Sarhan Ahmed A. , Al‐Najjar Basil 
Published: July 2022

AbstractThis paper aims to contribute to the extant literature on corporate social responsibility and corporate governance by empirically examining the effect of firm governance and shareholding structure (and their interaction) on corporate social responsibility performance. Our study is conducted within a unique context of improving social responsibility policies, regulations, and management. In particular, we examine how corporate governance practices and both outside (institutional and pension) and inside (managerial) shareholdings impact corporate social responsibility activities. Using one of the largest UK data sets to date, consisting of FTSE 350 nonfinancial listed firms for the period from 2002 to 2016, our results provide evidence that corporate governance has a positive impact on corporate social responsibility. Institutional (indicating strong monitoring role) and managerial (proxy for alignment of interests between insiders and outsiders) shareholdings are negatively associated with corporate social responsibility performance. Our additional analyses provide empirical evidence that compensation structure, as a corporate governance tool, aligns management decisions toward engaging in corporate social responsibility activities and corporate strategic sustainable objectives. Additionally, our results suggest a substitutive relationship of institutional shareholding with corporate governance practices. There is a complementary relationship of managerial shareholding with corporate governance practices in influencing corporate social responsibility. Our evidence is robust after controlling for entrenched managerial shareholding, 2SLS and alternative measures of corporate social responsibility performance. The findings provide empirical support for the UK Corporate Governance Code's emphasis on designing effective remuneration policies and practices.
A collagen/PLA hybrid scaffold supports tendon‐derived cell growth for tendon repair and regeneration
Authors: Xie Yu , Zhang Fan , Akkus Ozan , King Martin W. 
Published: July 2022

AbstractA rotator cuff tendon tear is a common shoulder injury with a relatively high rate of recurrence after surgical repair. In order to reinforce the repair and reduce the risk of clinical complications, a patch scaffold is typically sutured over the tendon tear to provide post‐surgical mechanical support. However, despite considerable research effort in this area, a patch scaffold that provides both superior initial mechanical properties and supports cell proliferation at the same time has not yet been achieved. In this study, we engineered a collagen/poly(lactic acid) (COL/PLA) hybrid yarn to leverage mechanical strength of PLA yarn and the bioactivity of collagen. The COL/PLA yarns were used to fabricate a tissue engineering scaffold using textile weaving technology. This hybrid scaffold had a tensile strength of 354.0 ± 36.0 N under dry conditions and 267.2 ± 15.9 N under wet conditions, which was satisfactory to maintain normal tendon function. By introducing COL yarns into the hybrid scaffold, the proliferation of tendon‐derived cells was significantly improved on the scaffold. Cell coverage after 28‐days of in vitro cell culture was noticeably higher on the COL yarns compared to the PLA yarns as a result of a larger number of cells and more spread cell morphology on collagen. Cells spread in multiple directions on COL yarns, which resembled a more natural cell attachment on extracellular matrix. On the contrary, the cells attached to the PLA filaments presented an elongated morphology along the fiber's axial direction. Combining the mechanical robustness of PLA and the biological activity of collagen, the woven COL/PLA hybrid scaffold has shown its potential to be a promising candidate for tendon repair applications.
Automation of AMOEBA polarizable force field for small molecules: Poltype 2
Authors: Walker Brandon , Liu Chengwen , Wait Elizabeth , Ren Pengyu 
Published: July 2022

AbstractA next‐generation protocol (Poltype 2) has been developed which automatically generates AMOEBA polarizable force field parameters for small molecules. Both features and computational efficiency have been drastically improved. Notable advances include improved database transferability using SMILES, robust torsion fitting, non‐aromatic ring torsion parameterization, coupled torsion‐torsion parameterization, Van der Waals parameter refinement using ab initio dimer data and an intelligent fragmentation scheme that produces parameters with dramatically reduced ab initio computational cost. Additional improvements include better local frame assignment for atomic multipoles, automated formal charge assignment, Zwitterion detection, smart memory resource defaults, parallelized fragment job submission, incorporation of Psi4 quantum package, ab initio error handling, ionization state enumeration, hydration free energy prediction and binding free energy prediction. For validation, we have applied Poltype 2 to ~1000 FDA approved drug molecules from DrugBank. The ab initio molecular dipole moments and electrostatic potential values were compared with Poltype 2 derived AMOEBA counterparts. Parameters were further substantiated by calculating hydration free energy (HFE) on 40 small organic molecules and were compared with experimental data, resulting in an RMSE error of 0.59 kcal/mol. The torsion database has expanded to include 3543 fragments derived from FDA approved drugs. Poltype 2 provides a convenient utility for applications including binding free energy prediction for computational drug discovery. Further improvement will focus on automated parameter refinement by experimental liquid properties, expansion of the Van der Waals parameter database and automated parametrization of modified bio‐fragments such as amino and nucleic acids.
Molecular properties and tautomeric equilibria of isolated flavins
Authors: Curtolo Felipe , Arantes Guilherme M. 
Published: July 2022

AbstractFlavins are employed as redox cofactors and chromophores in a plethora of flavoenzymes. Their versatility is an outcome of intrinsic molecular properties of the isoalloxazine ring modulated by the protein scaffold and surrounding solvent. Thus, an investigation of isolated flavins with high‐level electronic‐structure methods and with error assessment of the calculated properties will contribute to building better models of flavin reactivity. Here, we benchmarked ground‐state properties such as electron affinity, gas‐phase basicity, dipole moment, torsion energy, and tautomer stability for lumiflavins in all biologically relevant oxidation and charge states. Overall, multiconfigurational effects are small and chemical accuracy is achieved by coupled‐cluster treatments of energetic properties. Augmented basis sets and extrapolations to the complete basis‐set limit are necessary for consistent agreement with experimental energetics. Among DFT functionals tested, M06‐2X shows the best performance for most properties, except gas‐phase basicity, in which M06 and CAM‐B3LYP perform better. Moreover, dipole moments of radical flavins show large deviations for all functionals studied. Tautomers with noncanonical protonation states are significantly populated at normal temperatures, adding to the complexity of modeling flavins. These results will guide future computational studies of flavoproteins and flavin chemistry by indicating the limitations of electronic‐structure methodologies and the contributions of multiple tautomeric states.
LncRNA LIFR‐AS1 overexpression suppressed the progression of serous ovarian carcinoma
Authors: Liu Fang , Cao Linyan , Zhang Yufang , Xia Xinyi , Ji Yanhua 
Published: July 2022

AbstractBackgroundSerous ovarian carcinoma (SOC) is a common malignant tumor in female reproductive system. Long noncoding RNA (lncRNA) LIFR‐AS1 is a tumor suppressor gene in colorectal cancer, but its effect and underlying mechanism in SOC are still unclear. Therefore, this study focuses on unveiling the regulatory mechanism of LIFR‐AS1 in SOC.MethodsThe relationship between LIFR‐AS1 expression and prognosis of SOC patients was analyzed by TCGA database and Starbase, and then, the LIFR‐AS1 expression in SOC tissues and cells was detected by quantitative real‐time PCR (qRT‐PCR) and in situ hybridization (ISH). Besides, the relationship between LIFR‐AS1 and clinical characteristics was analyzed. Also, the effects of LIFR‐AS1 on the biological behaviors of SOC cells were measured by Cell Counting Kit‐8, colony formation, and wound‐healing and Transwell assays, respectively. Western blot and qRT‐PCR were employed to determine the protein expressions of genes related to proliferation (PCNA), apoptosis (cleaved caspase‐3), epithelial‐mesenchymal transition (E‐cadherin, N‐cadherin, and Snail).ResultsLIFR‐AS1 was lowly expressed in SOC, which was correlated with the poor prognosis of SOC patients. Low expression of LIFR‐AS1 in SOC was associated with the tumor size, clinical stage, lymph node metastasis, and distant metastasis. LIFR‐AS1 overexpression promoted the expressions of cleaved caspase‐3 and E‐cadherin while suppressing the malignant behaviors (proliferation, migration, and invasion) of SOC cells, the expressions of PCNA, N‐cadherin, and Snail. Besides, silencing LIFR‐AS1 exerted the effects opposite to overexpressed LIFR‐AS1.ConclusionLIFR‐AS1 overexpression inhibits biological behaviors of SOC cells, which may be a new therapeutic method.
Removal of organic pollutants (pharmaceuticals and pesticides) from sewage sludge by hydrothermal carbonization using response surface methodology (RSM)
Authors: Miserli Kleopatra , Nastopoulou Amalia , Konstantinou Ioannis 
Published: July 2022

AbstractBACKGROUNDConventional wastewater treatment plants (WWTPs) cannot degrade completely emerging pollutants such as pharmaceuticals and pesticides. The release of such contaminants through WWTP effluents or sludge disposal is of high environmental concern. Hydrothermal treatment has been adopted as alternative treatment technology for sludge to recover energy and valuable products. This study demonstrates the removal of inherent concentration levels of organic pollutants from the previous classes under variable reaction conditions, i.e. temperature, reaction time and sludge‐to‐water (%wt) ratio.RESULTSResponse surface methodology (RSM) was applied to model removal efficiency for the sum of detected pharmaceutical compounds and to evaluate the significant operational parameters. The results showed that higher values of temperature and time enhanced the percent degradation efficiency while sludge‐to‐water (%wt) ratio was not a significant factor affecting the removal process. The maximum removal efficiency of pharmaceutical residues reached 89.8% under the following conditions: 220 °C, 360 min reaction time, 7.50%wt sludge‐to‐water ratio. Additionally, hydrothermal treatment removed completely trace levels of detected pesticides, regardless of the applied conditions. RSM was also applied separately to those pharmaceuticals (i.e., amisulpride and amitriptyline) detected most frequently and at higher concentrations in sludge samples. Both compounds have been degraded at >90% using reaction temperatures from 205 to 220 °C and reaction time between 297 and 360 min with 7.5% sludge/H2O ratio.CONCLUSIONHydrothermal treatment is a suitable and promising technology for sewage sludge treatment for the efficient destruction of organic pollutants and the production of renewable hydrochars. © 2022 Society of Chemical Industry (SCI).
Differential diagnosis of diffuse sclerotic thyroid papillary carcinoma and Hashimoto's thyroiditis using fine‐needle aspiration cytology, BRAFV600E, and ultrasound elastography
Authors: Wang Xian , Xu Feiju , Gao Juan , Agyekum Enock Adjei , Sun Hui , Zhang Guoliang , Li Xinxin , Xiang Hong , Hu Shudong , Qian Xiaoqin 
Published: July 2022

AbstractBackgroundThe diffuse sclerosing variant of papillary thyroid carcinoma (DSV‐PTC) has ultrasound findings that are similar to Hashimoto's thyroiditis (HT), resulting in under‐diagnosis. DSV‐PTC combined with HT is also common, so early and accurate diagnosis of DSV‐PTC using a variety of diagnostic techniques, including FNAC, BRAFV600E mutation detection, and ultrasound elastography, is critical.ObjectiveTo assess the diagnostic value of fine‐needle aspiration cytology (FNAC) and BRAFV600E detection in combination with ultrasound elastography in the diagnosis of DSV‐PTC.MethodsWe performed a retrospective analysis of 40 patients with pathologically confirmed DSV‐PTC and 43 patients with HT admitted to our hospital's ultrasound department between January 2015 and December 2020. Preoperative FNAC, BRAFV600E mutation detection, and ultrasound elastography imaging were all performed on all patients. For a definitive diagnosis, the results of these tests were compared to postoperative pathological findings. The diagnostic value of FNAC, BRAFV600E mutation detection, ultrasound elasticity imaging, and their combination for DSV‐PTC diagnosis was assessed.ResultsThe mean elastic strain rate ratio (E1/E2) of the 40 DSV‐PTC cases was 5.75 ± 2.14, while that of the 43 HT cases was 2.81 ± 1.20. The receiver operating characteristic (ROC) curve was generated using the average value of E2/E1. The area under the ROC curve was 0.910, and the optimal E2/E1 cut‐off value was 4.500. When FNAC, BRAFV600E mutation detection, and ultrasound elasticity imaging detection were combined, the diagnostic sensitivity, specificity, negative predictive value, positive predictive value, and accuracy of DSV‐PTC diagnosis were 92.5%, 95.3%, 93.2%, 94.9%, and 94.0%, respectively, which were significantly higher than the single technique (p < 0.05).ConclusionsThe use of FNAC, BRAFV600E mutation detection, and ultrasound elastography in combination is more helpful in establishing an accurate diagnosis of DSV‐PTC than using a single diagnostic technique alone.