bluuebunny/crossref_metadata_2025_split huggingface dataset:
Acute and long‐term efficacy of ablation index‐guided higher power shorter duration ablation in patients with atrial fibrillation: A prospective registry
Authors: Lee So‐Ryoung , Park Hyoung‐Seob , Choi Eue‐Keun , Lee Euijae , Oh Seil 
Published: July 2021

AbstractBackgroundTheoretically, targeting the same ablation index (AI) using higher power may achieve the same lesion size with a shorter ablation time. We evaluated the acute and long‐term efficacy of higher‐powered ablation guided by ablation index (HPAI) compared with conventional‐powered ablation guided by AI (CPAI) for pulmonary vein isolation (PVI) in patients with atrial fibrillation (AF).MethodsDrug refractory symptomatic AF patients who had been ablated with 40 W on the anterior/roof segments and 30 W on the posterior/inferior/carina segments were enrolled (HPAI group). We compared the HPAI group with the CPAI group who were ablated with 30 W on the anterior/roof segments and 25 W on the posterior/inferior/carina segments. The same AI was targeted (≥450 on the anterior/roof segments and ≥350 on the posterior/inferior/carina segments). We compared ablation time, acute pulmonary vein reconnection (PVR) and 1‐year AF recurrence between the two groups.ResultsA total of 118 patients were included (86 in the HPAI group and 32 in the CPAI group, paroxysmal AF, 73%). There was no significant difference in the acute PVR rate between the HPAI and the CPAI groups (3.7% vs. 4.2%, P = .580) with a 41% reduction in ablation time for PVI (38.7 ± 8.3 vs. 65.8 ± 13.7 minutes, P < .001). The 1‐year AF recurrence rate was not significantly different between HPAI and CPAI groups (12.8% vs. 21.9%, Log‐rank P = .242). There were no major complications in either group.ConclusionsIncreased power during AF ablation, using the same AI targets, reduced the procedure and ablation times, and showed a comparable acute and long‐term outcome without compromising safety.Clinical Trial Registrationhttps://www.clinicaltrials.gov. Unique identifier: NCT 04379557.
ASPEN definitions in pediatric intestinal failure
Authors: Modi Biren P. , Galloway David P. , Gura Kathleen , Nucci Anita , Plogsted Steven , Tucker Alyssa , Wales Paul W. 
Published: July 2021

AbstractPediatric intestinal failure (PIF) is a relatively rare disease entity that requires focused interdisciplinary care and specialized nutrition management. There has long been a lack of consensus in the definition of key terms related to PIF because of its rarity and a plethora of small studies rather than large trials. As such, the American Society for Parenteral and Enteral Nutrition (ASPEN) PIF Section, composed of clinicians from a variety of disciplines caring for children with intestinal failure, is uniquely poised to provide insight into this definition void. This document is the product of an effort by the Section to create evidence‐based consensus definitions, with the goal of allowing for appropriate comparisons between clinical studies and measurement of long‐term patient outcomes. This paper has been approved by the ASPEN Board of Directors.
An active surveillance program in oral preneoplasia and translational oncology benefit
Authors: Archibald Hunter , Buryska Seth , Ondrey Frank G. 
Published: July 2021

AbstractObjectiveWe desired to establish an active surveillance clinic for head and neck cancer. In this review we examined.MethodsWe examined the natural history of human oral carcinogenesis, the types of preneoplastic lesions, and efforts at oral chemoprevention over the past decades for presentation here.ResultsWe established a clinic and program for patients with oral premalignant lesions approximately over 15 years ago based on an unmetneed for this service. We have completed over 4000 outpatient visits for this cohort and have a place for referrals of difficult oral lesions. We have leveraged this population for multiple federally funded trials on oral cancer prevention as well as specimen banking.ConclusionThere is need for routine active surveillance for oral preneoplastic conditions in patients at high risk for conversion to cancer. There are no effective durable treatment or preventions for these individuals and we have attempted to fill this unmet need with our program.
Temperature sensing technique by using a microwave photonics filter based on an actively mode‐locked fiber laser
Authors: Luo Jian , Cai Xun , Wang Haoran , Fu Hongyan 
Published: July 2021

AbstractIn this article, a temperature‐sensing scheme by using a microwave photonics filter (MPF) based on an actively mode‐locked fiber laser (MLFL) has been proposed and experimentally demonstrated. The MPF is formed by the MLFL and a photodetector (PD). Single‐mode fibers with different lengths in the laser cavity acts as the sensing head. The experimental results show good linearity between the frequency shift of the MPF's passband and temperature variation. The sensitivity of the sensor reaches −17.17236 kHz/°C with 100 m sensing fiber in the laser cavity when the passband with central frequency of 2.985 GHz is utilized for measurement. The proposed temperature sensor has the advantages of high resolution, good reliability, and tailorable sensitivity and shows good potential in practical applications.
Classification of focal liver lesions in CT images using convolutional neural networks with lesion information augmented patches and synthetic data augmentation
Authors: Lee Hansang , Lee Haeil , Hong Helen , Bae Heejin , Lim Joon Seok , Kim Junmo 
Published: July 2021

AbstractPurposeWe propose a deep learning method that classifies focal liver lesions (FLLs) into cysts, hemangiomas, and metastases from portal phase abdominal CT images. We propose a synthetic data augmentation process to alleviate the class imbalance and the Lesion INformation Augmented (LINA) patch to improve the learning efficiency.MethodsA dataset of 502 portal phase CT scans of 1,290 FLLs was used. First, to alleviate the class imbalance and to diversify the training data patterns, we suggest synthetic training data augmentation using DCGAN‐based lesion mask synthesis and pix2pix‐based mask‐to‐image translation. Second, to improve the learning efficiency of convolutional neural networks (CNNs) for the small lesions, we propose a novel type of input patch termed the LINA patch to emphasize the lesion texture information while also maintaining the lesion boundary information in the patches. Third, we construct a multi‐scale CNN through a model ensemble of ResNet‐18 CNNs trained on LINA patches of various mini‐patch sizes.ResultsThe experiments demonstrate that (a) synthetic data augmentation method shows characteristics different but complementary to those in conventional real data augmentation in augmenting data distributions, (b) the proposed LINA patches improve classification performance compared to those by existing types of CNN input patches due to the enhanced texture and boundary information in the small lesions, and (c) through an ensemble of LINA patch‐trained CNNs with different mini‐patch sizes, the multi‐scale CNN further improves overall classification performance. As a result, the proposed method achieved an accuracy of 87.30%, showing improvements of 10.81%p and 15.0%p compared to the conventional image patch‐trained CNN and texture feature‐trained SVM, respectively.ConclusionsThe proposed synthetic data augmentation method shows promising results in improving the data diversity and class imbalance, and the proposed LINA patches enhance the learning efficiency compared to the existing input image patches.
The chemical effect of furfuryl amide on the enhanced performance of the diphenolic acid derived bio‐polybenzoxazine resin
Authors: Qian Zizhao , Li Qing , Wang Lujie , Fu Feiya , Liu Xiangdong 
Published: July 2021

AbstractAs a renewable chemical, diphenolic acid (DPA) has attracted immense interest in bio‐based polymer science. However, its application for polybenzoxazines is limited due to decarboxylation, that is, the release of CO2 during the curing reaction of benzoxazine. In this study, the amidation strategy of converting DPA to diphenolic amides (DPAM) was demonstrated to solve this problem while simultaneously improving the thermal properties of polybenzoxazine. DPA was amidated by separately using four amines (hexamine, cyclohexylamine, furfurylamine, and aniline), then reacted with furfurylamine and paraformaldehyde to synthesize their benzoxazine monomers. By using TGA and DMA, all amide‐containing polybenzoxazines were found to exhibit excellent thermal stabilities. Among all of the benzoxazine resins, poly(DFA‐fa), which was obtained from amidation with furfurylamine, exhibited the highest glass transition temperature (Tg) of 310°C and a decomposition temperature (Td10) of 406°C. Furthermore, a possible post‐curing reaction mechanism was proposed to explain the outstanding thermal performance of poly(DFA‐fa) resin. This study proposes an innovative strategy to solve the decarboxylation of DPA‐based polymers, which is of significance for high‐performance bio‐based polymers.
Reduced pediatric urgent asthma utilization and exacerbations during the COVID‐19 pandemic
Authors: Hurst Jillian H. , Zhao Congwen , Fitzpatrick Nicholas S. , Goldstein Benjamin A. , Lang Jason E. 
Published: July 2021

AbstractThe COVID‐19 pandemic has had a profound impact on healthcare access and utilization, which could have important implications for children with chronic diseases, including asthma. We sought to evaluate changes in healthcare utilization and outcomes in children with asthma during the COVID‐19 pandemic. We used electronic health records data to evaluate healthcare use and asthma outcomes in 3959 children and adolescents, 5–17 years of age, with a prior diagnosis of asthma who had a history of well‐child visits and encounters within the healthcare system. We assessed all‐cause healthcare encounters and asthma exacerbations in the 12‐months preceding the start of the COVID‐19 pandemic (March 1, 2019–February 29, 2020) and the first 12 months of the pandemic (March 1, 2020–February 28, 2021). All‐cause healthcare encounters decreased significantly during the pandemic compared to the preceding year, including well‐child visits (48.1% during the pandemic vs. 66.6% in the prior year; p < .01), emergency department visits (9.7% vs. 21.0%; p < .01), and inpatient admissions (1.6% vs. 2.5%; p < .01), though there was over a 100‐fold increase in telehealth encounters. Asthma exacerbations that required treatment with systemic steroids also decreased (127 vs. 504 exacerbations; p < .01). Race/ethnicity was not associated with changes in healthcare utilization or asthma outcomes. The COVID‐19 pandemic corresponded to dramatic shifts in healthcare utilization, including increased telehealth use and improved outcomes among children with asthma. Social distancing measures may have also reduced asthma trigger exposure.
DynaBiS: A hierarchical sampling algorithm to identify flexible binding sites for large ligands and peptides
Authors: Melse Okke , Hecht Sabrina , Antes Iris 
Published: July 2021

ABSTRACTKnowing the ligand or peptide binding site in proteins is highly important to guide drug discovery, but experimental elucidation of the binding site is difficult. Therefore, various computational approaches have been developed to identify potential binding sites in protein structures. However, protein and ligand flexibility are often neglected in these methods due to efficiency considerations despite the recognition that protein–ligand interactions can be strongly affected by mutual structural adaptations. This is particularly true if the binding site is unknown, as the screening will typically be performed based on an unbound protein structure. Herein we present DynaBiS, a hierarchical sampling algorithm to identify flexible binding sites for a target ligand with explicit consideration of protein and ligand flexibility, inspired by our previously presented flexible docking algorithm DynaDock. DynaBiS applies soft‐core potentials between the ligand and the protein, thereby allowing a certain protein–ligand overlap resulting in efficient sampling of conformational adaptation effects. We evaluated DynaBiS and other commonly used binding site identification algorithms against a diverse evaluation set consisting of 26 proteins featuring peptide as well as small ligand binding sites. We show that DynaBiS outperforms the other evaluated methods for the identification of protein binding sites for large and highly flexible ligands such as peptides, both with a holo or apo structure used as input.
Computational study of ammonia generation by iron(III) and iron(IV) complexes supported by trigonal bipyramidal iron
Authors: Vyas Nidhi , Sen Asmita , Kumar Aditya , Grover Abhinav 
Published: July 2021

AbstractHigh‐valent species such as terminal iron nitrides (FeN) are carried out for many organic and inorganic transformations. Simultaneously, they provide significant insight into the reactivity of various metalloenzyme as they involved in the reaction of nitrogenase enzyme. Various biomimetic model complexes were reported to understand nitrogenase enzyme's reactivity. In this framework, Peters et al. have published the facile formation of intermediate species [(TPB)FeIII/IVN]0/1+ from the complex [(TPB)FeN2] (here, TPB = tris(o‐diisopropylphosphinophenyl) borane. However, all species were thoroughly synthesized and characterized. But the mechanism is still elusive in terms of reactivity and the roles of intermediate species. In this work, we have tried to explore the mechanism of ammonia generation from these high‐valent [(TPB)FeIII/IVN]0/1+ species employing the experimental conditions. Our computed results shows a very small energy barrier of 6.7 kJ/mol for the first transition state of protonation by the [(TPB)FeIIIN] species (path1) in the NH bond activation of path1, however comparatively large energy barrier was reported for path2. From this reaction mechanism, it is established that species [(TPB)FeIIIN] is more reactive than [(TPB)FeIVN]+. The reactivity difference between these two species is mainly due to the nature of FeN bond, its basicity and electron delocalization during the NH bond activation. Comprehensive electronic structure investigation of the transition state reveals that the substrate will follow the low energy σ‐type pathway and the electron from the NH bond electron will go in the σz2 orbital. However, the high‐energy π‐type pathway, where the NH bond electron will go in the π*xz orbital. The spectroscopic parameters (Absorption, and Mössbauer) computed for some species, are compared to experimental observation to get belief on the computed data.
Revisiting the relationship between sustainable project management and project success: The moderating role of stakeholder engagement and team building
Authors: Shaukat Mohammad Bilal , Latif Khawaja Fawad , Sajjad Aymen , Eweje Gabriel 
Published: July 2021

AbstractThis paper examines the relationship between sustainable project management (SPM) and project success with the moderating effect of stakeholder engagement and team building on this relationship. A structured survey questionnaire technique was applied for data collection and 323 responses were received from project management professionals in Pakistan. The results revealed that SPM has a positive impact on project success. However, the effects of stakeholder engagement and team building were found insignificant. Accordingly, this paper contributes to SPM literature by demonstrating the relationship between SPM and project success in a developing world context. From a practical viewpoint, firms need to consider SPM from a holistic perspective by embracing and incorporating key sustainability aspects into various project life‐cycle stages. To this end, project managers not only need to promote stakeholder engagement and team‐building strategies, but also scrutinize all important project decisions from a sustainability lens to further enhance SPM outcomes and create a meaningful value proposition for each stakeholder group, which are increasingly recognized as critical issues for project success.
Facile Synthesis of an Mg‐incorporated ZSM‐5 Zeolite from Dual Silicon Sources and Its Application for Conversion of Methanol to Olefins
Authors: Chen Xueshuai , Jiang Rongli , Hou Huilin , Zhou Zihan , Wang Xingwen 
Published: July 2021

AbstractIn this work, an Mg‐incorporated ZSM‐5 zeolite with superior catalytic properties is synthesized directly from dual silicon sources(laponite and tetraethylorthosilicate) as raw material via hydrothermal method. The ZSM‐5 synthesized from laponite as one of the Si sources exhibits unique aggregated spherical morphology composed of sheet‐like crystals, which is due to the depolymerized laponite can act as crystalline seeds and facilitate the ZSM‐5 zeolite nucleation. Furthermore, the Mg species in laponite can subsequently enter into the ZSM‐5 zeolite during the process of crystallization. In comparison with ZSM‐5(0) synthesized by using tetraethylorthosilicate(TEOS) as single Si source, ZSM‐5 zeolite synthesized from dual silicon sources exhibited better catalytic performace for MTO reaction. Our work provides a straightforward and green route for the synthesis of an Mg‐incorporated ZSM‐5 zeolite from dual silicon sources with excellent MTO performance.
Synthesis, Biological Evaluation, Molecular Docking, and Acid Dissociation Constant of New Bis‐1,2,3‐triazole Compounds
Authors: Nural Yahya , Ozdemir Sadin , Yalcin Mustafa Serkan , Demir Bunyamin , Atabey Hasan , Ece Abdulilah , Seferoglu Zeynel 
Published: July 2021

AbstractIn this study, new bis‐1,2,3‐triazole derivatives, N,N′‐(1,3‐phenylene)bis(2‐(4‐R‐1H‐1,2,3‐triazol‐1‐yl)acetamide), were synthesized by copper‐catalyzed azide‐alkyne cycloaddition click chemistry in 84–96 % yield. A wide range bioactivity screening was performed to determine DNA cleavage, antioxidant, antibacterial and antifungal activities. All of the synthesized bis‐1,2,3‐triazoles showed excellent DNA cleavage activity and 4 e, bearing 2‐bromoethyl moiety as a substituent, was almost degraded all of the plasmid DNA. Molecular docking simulations suggest that the synthesized compounds act as minor groove binders of DNA. The antioxidant activities of the bis‐1,2,3‐triazoles were determined based on the radical scavenging effect of the stable 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) free radical and iron chelating activity. The compounds exhibited effective iron chelating activity at 200 mg/L while showing a moderate ability to scavenge DPPH radical. The compounds exhibited antibacterial activity against B. cereus, L. pneumophila subsp. pneumophila, S. aureus, P. aeruginosa, E. coli and E. hirae bacterial strains, and antifungal activity against C. albicans and C. tropicalis microfungus strains with a MIC value in the range of 4–128 μg/mL. 4 d, bearing cyclohexylmethyl moiety as substituent, exhibited a broad‐spectrum antimicrobial activity (both antibacterial and antifungal). Four different acid dissociation constant (pKa) values of each product were determined potentiometrically in 20 % (v/v) dimethyl sulfoxide‐water at 25±0.1 °C, at an ionic background of 0.1mol/L of NaCl using the HYPERQUAD program.
DFT Studies of Substituted Phenols Cytotoxicity I. Para‐substituted Phenols
Authors: Štekláč Marek , Breza Martin 
Published: July 2021

AbstractNew type of cytotoxicity descriptors based on Cu(II) coordination ability of p‐substituted phenols and subsequent O→Cu electron density transfer is introduced. Geometries of phenols and of their Cu(II) complexes are optimized at the DFT level of theory. The amount of electron density transfer is evaluated using the copper charge or the electron density Laplacian at the Cu−O bond critical point. The Cu‐phenol interaction energy is a measure of the phenol reactivity. Statistical parameters for the linear dependence of the published cytotoxicity data on the above predictors are much better than the classical ones.
High‐Performance Fullerene Free Polymer Solar Cells Based on New Thiazole ‐Functionalized Benzo[1,2‐b:4,5‐b′]dithiophene D‐A Copolymer Donors
Authors: Keshtov Mukhamed. L. , Konstantinov Igor O. , Kuklin Sergei A. , Khokhlov Aleksei R. , Ostapov Ilya E. , Xie Zhiyuan , Komarov Pavel V. , Alekseev Vladimir G. , Dahiya Hemraj , Sharma Ganesh D. 
Published: July 2021

AbstractTwo new wide bandgaps D−A copolymers compromising of same benzo [1,2‐b:4, 5‐b′]dithiophene functionalized with thiazole side‐chain donor unit and different acceptors units, i. e., fluorinated benzotriazole (FBTA) (PBDTTZ‐FBTA) and bis‐thiophene‐thieno‐benzothiazole (BTZ) (PBDTTZ‐BTZ) were synthesized and their optical and electrochemical properties were investigated. These copolymers exhibit appropriate frontier energy levels and complementary absorption to most middle and narrow bandgap non‐fullerene small molecule non‐fullerene acceptors. We have explored using these two copolymers as donors combined with a narrow bandgap non‐fullerene acceptor, namely BThIND−Cl, for the construction of polymer solar cells. The optimized polymer solar cells employing PBDTTZ‐FBTA: BThIND−Cl showed overall power conversion efficiency of 14.96 % (with energy loss of 0.51 eV), which is higher than that for PBDTTZ‐BTZ: BThIND−Cl (11.68 % with energy loss of 0.56 eV). Although the PBDTTZ‐BTZ exhibits a broader absorption profile than that of PBDTTZ‐FBTA, the higher power conversion efficiency of the later copolymer may be correlated with the high charge carrier mobility, suppression of the bimolecular and trap‐assisted recombination due to appropriate phase separation and compact π‐π stacking distance in the active layer and low energy loss.
Enhanced Solubility and Oral Bioavailability of Hydrophobic Drugs Using Pluronic Nanomicelles: An In‐Vitro Evaluation
Authors: Shaikh Sofiya J. , Patel Hemil S. , Ray Debes , Aswal Vinod K. , Singh Sushmita , Vijayvargia Ravi , Sheth Urjita , Sharma Rakesh K. 
Published: July 2021

AbstractPoor drug solubility and oral bioavailability is a significant challenge with many effective drug candidates. Pluronic micelles are effective solutions for improved solubility, stability, and delivery of the hydrophobic drug to the right area, at the right time, and in the right amount. Solubilization of three drugs, namely curcumin (CUR), quercetin (QCN), and lamotrigine (LTG), were explored using Pluronics with varying molecular characteristics. All the drugs showed better solubility in Pluronic solutions. The tendency of augmentation in solubility was QCN>CUR>LTG. Results showed better solubilization of drugs in Pluronics which form micelles and have low CMTs. With an objective to enhance the oral bioavailability of drugs, the drug‐loaded Pluronic P123 nanomicelles (PLC for CUR, PLQ for QCN, and PLL for LTG) have been prepared and characterized using UV‐VIS, DLS, SANS, CPT, and TEM measurements. The drug‐loaded P123 nanomicelles having particle sizes range from 18 to 22.5 nm and spherical in shapes. In the in‐vitro release study, CUR and QCN showed slow release,while LTG exhibited a faster release profile. The PLC and PLQ assessed their anti‐oxidant potential had confirmed the oxidation resistance more significantly than the free drug. Considering the pharma uses of CUR, QCN, and LTG drugs and observing the application of Pluronics in drug delivery systems, the present work facilitates insight into the possible formulations of these drugs.