bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cobalt Quaterpyridine Complexes for Highly Efficient Heterogeneous CO2 Reduction in Aqueous Media
Authors: Sun Libo , Reddu Vikas , Xi Shibo , Dai Chencheng , Sheng Yuan , Su Tan , Fisher Adrian C. , Wang Xin 
Published: July 2022

AbstractLigands play a critical role in the electrocatalytic CO2 reduction reaction (CO2RR) based on heterogeneous molecular catalysts. Previous research on heterogeneous molecular electrocatalysis has mainly dealt with N4 ligands with pyrrole as subunits (porphyrin, phthalocyanine, etc.), while ligands constructed from pyridine subunits remain uncommon. The examples for comparing active configurations are few and far between. Herein, the development of new N4 cobalt complexes based on pyridine subunits is explored. After anchoring onto carbon nanotubes, they can exhibit CO2RR activity at a low overpotential of 140 mV, and high activity from ‐0.30 to ‐0.60 V versus reference hydrogen electrode with a selectivity of above 98%. Excellent performance at large current densities can also be observed in a flow cell. In situ attenuated total reflectance‐Fourier transform infrared spectroscopy proves that such electrocatalysts exhibit CO production at lower overpotential and moderate CO adsorption ability over a wide potential range. From density functional theory calculations, it is shown that a pyridine‐based cobalt complex on a carbon substrate can reduce the Gibbs free energy for reactions further than its counterpart pyrrole‐based ones. Further analysis proves that the semimetal behavior of optimized d‐orbitals may facilitate charge transfer and increase the activity. This provides a new insight for understanding catalytically active moieties in heterogeneous molecular catalysts with ligands constructed from pyridine subunits.
Governing for quality and safety: A new province for boards of Australian aged care and disability support providers?
Authors: Hough Alan , McGregor‐Lowndes Myles 
Published: July 2022

AbstractThe Australian Royal Commissions on aged care quality and safety, and on violence, abuse, neglect and exploitation of people with disability, have raised important questions about the degree to which boards of directors of aged care and disability support providers are assuring that the organisations they govern are providing quality and safe services. This article addresses the question of to what extent changes in legislation and regulatory standards in aged care and disability create new expectations of these boards and directors. Although directors have long been held to have a duty of care and diligence, and to have responsibility for determining and monitoring an organisation's services, these expectations have been elevated to a new level in relation to quality and safety.
Development of Parkinson Disease and Its Relationship with Incidentally Discovered White Matter Disease and Covert Brain Infarction in a Real‐World Cohort
Authors: Kent David M. , Leung Lester Y. , Puttock Eric J. , Wang Andy Y. , Luetmer Patrick H. , Kallmes David F. , Nelson Jason , Fu Sunyang , Zheng Chengyi , Vickery Ellen M. , Liu Hongfang , Noyce Alastair J. , Chen Wansu 
Published: July 2022

ObjectiveThis study aimed to examine the relationship between covert cerebrovascular disease, comprised of covert brain infarction and white matter disease, discovered incidentally in routine care, and subsequent Parkinson disease.MethodsPatients were ≥50 years and received neuroimaging for non‐stroke indications in the Kaiser Permanente Southern California system from 2009 to 2019. Natural language processing identified incidentally discovered covert brain infarction and white matter disease and classified white matter disease severity. The Parkinson disease outcome was defined as 2 ICD diagnosis codes.Results230,062 patients were included (median follow‐up 3.72 years). A total of 1,941 Parkinson disease cases were identified (median time‐to‐event 2.35 years). Natural language processing identified covert cerebrovascular disease in 70,592 (30.7%) patients, 10,622 (4.6%) with covert brain infarction and 65,814 (28.6%) with white matter disease. After adjustment for known risk factors, white matter disease was associated with Parkinson disease (hazard ratio 1.67 [95%CI, 1.44, 1.93] for patients <70 years and 1.33 [1.18, 1.50] for those ≥70 years). Greater severity of white matter disease was associated with increased incidence of Parkinson disease(/1,000 person‐years), from 1.52 (1.43, 1.61) in patients without white matter disease to 4.90 (3.86, 6.13) in those with severe disease. Findings were robust when more specific definitions of Parkinson disease were used. Covert brain infarction was not associated with Parkinson disease (adjusted hazard ratio = 1.05 [0.88, 1.24]).InterpretationIncidentally discovered white matter disease was associated with subsequent Parkinson disease, an association strengthened with younger age and increased white matter disease severity. Incidentally discovered covert brain infarction did not appear to be associated with subsequent Parkinson disease. ANN NEUROL 2022;92:620–630
Phasentrennung von heterogenem nuklearem Ribonukleoprotein A1 bei spezifischer RNA‐Bindung, beobachtet durch magnetische Resonanzspektroskopie**
Authors: Ritsch Irina , Lehmann Elisabeth , Emmanouilidis Leonidas , Yulikov Maxim , Allain Frédéric , Jeschke Gunnar 
Published: July 2022

AbstractDie Wechselwirkung von heterogenem nuklearem Ribonukleoprotein A1 (hnRNP A1) mit spezifischer einzelsträngiger RNA und ihre Beziehung zur Flüssig‐Flüssig‐Phasen‐Trennung (LLPS, engl. liquid liquid phase separation) wurden in vitro mittels Methoden der magnetischen Resonanzspektroskopie auf der Basis von selektiver Spin‐Markierung untersucht. Ein Ensemble‐Modell von dispergiertem hnRNP A1 in Abwesenheit von RNA wurde aus Abstandsverteilungen zwischen spinmarkierten Stellen und Kleinwinkel‐Röntgenstreudaten (SAXS) erstellt. Dieses Modell zeigte einen kompakten Zustand der intrinsisch ungeordneten Domäne und Interaktion mit den RNA‐Erkennungsmotiven auf. Paramagnetische Relaxations NMR‐Spektroskopie bestätigte diese Wechselwirkungen. Die Zugabe von RNA zu dispergiertem hnRNP A1 führte zur Bildung von Flüssigkeitströpfchen (LLPS). Diese LLPS hing von der RNA‐Konzentration und ‐Sequenz ab. Mittels EPR‐Spektroskopie konnte ein Einfluss von Punktmutationen in der RNA auf die lokale Proteindynamik festgestellt werden. Wir schlagen vor, dass ein Zusammenspiel von sequenzspezifischer RNA‐Bindung und LLPS zur Regulierung der spezifischen RNA‐Segregation beiträgt.
Facile Benzylic Alkylation of Arenes with Alcohols by Catalysis with a Spirocyclic NHC IrIII Pincer Complex
Authors: Dai Kun‐Long , Chen Qi‐Long , Xie Wen‐Ping , Lu Ka , Yan Zhi‐Bo , Peng Meng , Li Chang‐Kun , Tu Yong‐Qiang , Ding Tong‐Mei 
Published: July 2022

AbstractA facile benzylic alkylation of indenes and other arenes was developed from readily available primary and secondary alcohols using our newly investigated CCC pincer IrIII catalyst (SNIr−H). Excellent regioselectivity and yield (89 %) of the C3‐alkylated indenes were obtained. Additionally, the challenging sp2C‐alkylation was readily accomplished. This method could be utilized for the synthesis of the analogs of a histamine H1 receptor antagonist and the functional material template molecule, indeno[2,1‐a]indene. A hemilabile IrIII‐dihydride intermediate was proposed based on control experiments and previous density functional theory (DFT) calculations for the borrowing hydrogen mechanism and is key to the success of this IrIII catalyst in the reduction of unactivated multi‐substituted olefin intermediates.
Molecular Engineering of Metal Complexes for Electrocatalytic Carbon Dioxide Reduction: From Adjustment of Intrinsic Activity to Molecular Immobilization
Authors: Yang Zhi‐Wen , Chen Jin‐Mei , Qiu Li‐Qi , Xie Wen‐Jun , He Liang‐Nian 
Published: July 2022

AbstractThe electrocatalytic CO2 reduction reaction (ECO2RR) is one promising method for storing intermittent clean energy in chemical bonds and producing fuels. Among various kinds of catalysts for ECO2RR, molecular metal complexes with well‐defined structures are convenient for studies of their rational design, structure–reactivity relationships, and mechanisms. In this Review, we summarize the molecular engineering of several N‐based metal complexes including Re/Mn bipyridine compounds and metal macrocycles, concluding with general modification strategies to devise novel molecular catalysts with high intrinsic activity. Through physical adsorption, covalent linking, and formation of a periodic backbone, these active molecules can be heterogenized into immobilized catalysts with more practical prospects. Finally, significant challenges and opportunities based on molecular catalysts are discussed.
A double‐click strategy for the synthesis of P and N‐containing hydrolytically stable reactive flame retardant for photocurable networks
Authors: Ozukanar Ozge , Cakmakci Emrah , Daglar Ozgun , Durmaz Hakan , Kumbaraci Volkan 
Published: July 2022

AbstractThe use of modern chemical routes and the development of innovative material designs bring smart solutions to the problems in materials science and open up new horizons for future research. In this work, we utilized from two click reactions to prepare a P and N‐containing reactive flame retardant. The para‐fluoro groups of bis(pentafluorophenyl)phenyl phosphine oxide were converted to azides and then the obtained compound was reacted with propargyl acrylate via copper‐catalyzed azide‐alkyne cycloaddition reaction. The effect of the synthesized monomer (10%, 20%, and 30%) on the mechanical, thermal, and flame retardancy properties of an aliphatic polyurethane acrylate was investigated. The newly synthesized monomer led to a slight decrease in double bond conversion percentages, an increase in tensile strength of the photocured samples, and a decrease in the elongation at break values. The glass transition temperatures increased with the increasing amount of the flame retardant monomer as well as the limiting oxygen index (LOI) values. When the flame retardant ratio was 30% in the formulations, almost a 25% enhancement was realized in the LOI values.
Synthesis and characteristics of nonisocyanate polyurethane composed of bio‐based dimer diamine for supercritical CO2 foaming applications
Authors: Mao Hsu‐I , Chen Chin‐Wen , Yan Hao‐Chen , Rwei Syang‐Peng 
Published: July 2022

AbstractNonisocyanate polyurethane (NIPU) was synthesized using different concentrations of C36‐alkylenediamine (C36DDA), hexamethylene diamine, and a cyclic carbonate monomer synthesized from bisphenol A epoxy resin and carbon dioxide. The structures, molecular weights, thermal behaviors, and stabilities of the NIPU copolymers were evaluated using 1H nuclear magnetic resonance, Fourier transform infrared spectroscopy, gel permeation chromatography, thermogravimetric analysis, and differential scanning calorimetry measurements. All synthesized NIPUs were amorphous and exhibited good Td−5% thermal stabilities above 250°C; Tg decreased from 73 to 51°C as C36DDA content increased from 0% to 10% based on dynamic mechanical analysis tests. Furthermore, ethylenediamine (EDA) as a chain extender incorporating a small amount of crosslinker 1,2,4,5‐benzenetetracarboxylic acid (PMA) can enhance the melt strength of a partially three‐dimensional network, and the attained NIPU showed elastic properties. Thus, the NIPU synthesized with 7.5% and 10% C36DDA containing small amounts of EDA and PMA were suitable choices for supercritical CO2 foaming; their morphologies and mechanical behaviors were examined by scanning electron microscopy and DMA, and the densities of foamed NIPU with 7.5% and 10% C36DDA were calculated as 432 and 215 kg m−3 with pore sizes of 10–20 μm, respectively. The maximum stresses were attained at 149.5 and 123.4 kPa, and the foamed NIPU displayed rigid foam behaviors owing to the compression behaviors of the stress–strain curves.
3D Printing of Skin Equivalents with Hair Follicle Structures and Epidermal‐Papillary‐Dermal Layers Using Gelatin/Hyaluronic Acid Hydrogels
Authors: Kang Moon Sung , Kwon Mina , Lee Seok Hyun , Kim Won‐Hyeon , Lee Gyeong Won , Jo Hyo Jung , Kim Bongju , Yang Seung Yun , Kim Ki Su , Han Dong‐Wook 
Published: July 2022

AbstractRecent advances in three‐dimensional (3D) bioprinting technologies have enabled the fabrication of sophisticated live 3D tissue analogs. Despite the existing hydrogel‐based bioinks, the development of advanced bioink materials that can accurately reproduce the composition of a native extracellular matrix and mimic the intrinsic properties of laden cells remains challenging. In this study, 3D printed skin equivalents incorporating hair follicle structures and epidermal/papillary dermal layers were fabricated using gelatin methacryloyl/hyaluronic acid methacryloyl (GelMA/HAMA) bioink. The composition of collagen and glycosaminoglycan in native skin was recapitulated by adjusting the combination of GelMA and HAMA. The GelMA/HAMA bioink exhibited excellent viscoelastic and physicochemical properties, 3D printability, cytocompatibility, and functionality to maintain hair‐inductive potency while facilitating spontaneous hair pore development. The results indicate that GelMA/HAMA hydrogels are promising candidates as bioinks for the 3D printing of skin equivalents. Furthermore, they may serve as useful models for skin tissue engineering and regeneration.
Analysis of the spectral‐luminescence properties of imidazo[1,2‐b]pyrido[4,3‐e][1,2,4]triazin‐6(7Н)‐ones
Authors: Vandyshev Dmitriy Yu. , Shikhaliev Khidmet S. , Prezent Mikhail A. , Kozaderov Oleg A. , Ovchinnikov Oleg V. , Smirnov Mikhail S. , Ilyinova Tatiana N. , Mangusheva Daria A. , Iminova Renata R. , Chetti Prabhakar 
Published: July 2022

AbstractThe article presents a method for the construction of a new tricyclic system of imidazo[1,2‐b]pyrido[4,3‐e][1,2,4]triazin‐6(7Н)‐ones based on subsequent reactions of the obtained 1,2‐diamino‐4‐phenylimidazole ethyl ether of 3‐methyl‐6‐phenylimidazo[1,2‐b][1,2,4]triazin‐2‐carboxylic acid with dimethylformamide dimethyl acetal and primary amines. The structures of the obtained compounds were confirmed using the data obtained from 1Н and 13С NMR, HRMS, and XRD analyses. We analyzed the dependence of the absorption and photoluminescence spectra on the structure of the compounds obtained using quantum chemistry methods. The theoretical results were compared with the data from a real experiment. The article suggests a range of practical applications for imidazo[1,2‐b]pyrido[4,3‐e][1,2,4]triazin‐6(7Н)‐ones.
Liposomal eribulin for advanced adenoid cystic carcinoma, gastric cancer, esophageal cancer, and small cell lung cancer
Authors: Udagawa Hibiki , Takahashi Shunji , Hirao Motohiro , Tahara Makoto , Iwasa Satoru , Sato Yasuyoshi , Hamakawa Takuya , Shitara Kohei , Horinouchi Hidehito , Chin Keisho , Masuda Norikazu , Suzuki Takuya , Okumura Shiori , Takase Takao , Nagai Reiko , Yonemori Kan 
Published: July 2022

AbstractBackgroundIn this open‐label, Phase 1 study, we explore the safety and efficacy of E7389‐LF (liposomal formulation of eribulin) in Japanese patients with advanced solid tumors.MethodsThis open‐label, Phase 1 study enrolled Japanese adult patients to receive E7389‐LF for the treatment of advanced solid tumors. Treatment with E7389‐LF 2.0 mg/m2 every 3 weeks (previously determined maximum tolerated dose) was tested for the treatment of adenoid cystic carcinoma, gastric cancer, esophageal cancer, or small lung cell cancer in the expansion part of this study. Secondary endpoints included safety, objective response rate, best overall response, and progression‐free survival.ResultsAs of October 16, 2020, 43 patients were enrolled (adenoid cystic carcinoma, n = 12; gastric cancer, n = 10; esophageal cancer, n = 11; small cell lung cancer, n = 10). Thirty‐three patients experienced a Grade ≥3 treatment‐related treatment‐emergent adverse event, most commonly neutropenia (53.5%). Additionally, the incidence of hypersensitivity did not appear to change with a reduced number of infusion steps (2 vs. 4) and patients who were administered prophylactic pegylated granulocyte‐colony stimulating factor had a noticeably lower incidence of Grade 3–4 neutropenia (although this did not have a proper control). The overall objective response rate was 11.6% (95% confidence interval: 3.9–25.1), corresponding to two partial responses in patients with adenoid cystic carcinoma, two partial responses in gastric cancer, and one partial response in esophageal cancer. Median progression‐free survival was longer in the adenoid cystic carcinoma population (16.6 months) than in others.ConclusionsE7389‐LF 2.0 mg/m2 every 3 weeks was well tolerated for the treatment of several different tumor types, and larger studies in these populations are warranted.
Influence of Seasonal Variation on the Chemical Composition and Biological Activities of Essential Oil from Eugenia pohliana DC Leaves
Authors: Costa Wêndeo Kennedy , de Oliveira Alisson Macário , da Silva Santos Izabelly Bianca , Silva Valquíria Bruna Guimarães , de Aguiar Júlio César Ribeiro de Oliveira Farias , Navarro Daniela Maria do Amaral Ferraz , dos Santos Correia Maria Tereza , da Silva Márcia Vanusa 
Published: July 2022

AbstractThe purpose of this study was to analyses the influence of seasonal variation on the chemical composition and antimicrobial, antioxidant and cytotoxicity activities of the essential oil (EO) extracted from the leaves of Eugenia pohliana. Chemical characterization of the samples – by gas chromatography‐mass spectrometry – found 35 and 38 components for summer and winter, respectively, of the EO from E. pohliana leaves, totaling 47 different compounds. Analysis of antioxidant capacity (DPPH, ABTS and TAC) revealed that the summer EO showed greater free radical scavenging capacity than the winter. Similarly, the summer EO exhibited superior antimicrobial potential (MIC=128–512 μg/mL and MMC=128–1024 μg/mL, compared to the winter EO (128–2048 μg/mL and 256–2048 μg/mL, respectively). Results showed that both oils had a low potential to cause hemolysis. This study provides new scientific evidence on the influence of seasonality on the pharmacological properties of E. pohliana leaves and its potential for the development of herbal medicines.
Impact of left atrial appendage fibrosis on atrial fibrillation in patients following coronary bypass surgery
Authors: Eckstein Jan , Renner André , Zittermann Armin , Fink Thomas , Sohns Christian , Niehaus Karsten , Bednarz Hanna , Neumann Judith Martha , Piran Misagh , Kellner Udo , Gummert Jan 
Published: July 2022

AbstractObjectivesWe aimed to assess the relationship of left atrial appendage (LAA) fibrosis with atrial fibrillation (AF) and postoperative events in patients receiving coronary artery bypass graft surgery (CABG).BackgroundIncreased atrial fibrosis has been associated with AF and worse outcome following catheter ablation. Only limited data exists focusing on the impact of LAA fibrosis on AF after CABG.MethodsLAA tissue from 164 CABG‐patients was stained with Masson‐Goldner trichrome. The histological landscape was scanned and segmented into superpixels for software analysis (QuPath). A classification algorithm was extensively trained to detect fibrotic superpixels for quantification. In 43 propensity score matched pairs with AF or sinus rhythm (SR), LAA fibrosis was compared. Moreover, subgroups of mitral valve regurgitation (MR) were analyzed as follows: SR, SR + MR, AF and AF + MR. The predictive value of LAA fibrosis postoperative stroke, postoperative AF and mortality was assessed.ResultsFibrotic remodeling (%) showed no significant difference for the total cohort between the SR and AF group (SR: 30.8 ± 11.4% and AF: 33.8 ± 16.0%, respectively, p = .32). However, significant fibrotic remodeling was observed for SR and AF subgroups (SR: 27.2 ± 12.2% vs. AF: 35.3 ± 13.7%; respectively, p = .049) and between SR and SR + MR subgroups (SR: 27.2 ± 12.2% vs. SR + MR: 34.9 ± 9.1%, respectively, p = .027). LAA fibrosis was not significantly associated with postoperative stroke, postoperative AF or overall mortality (all p > .05).ConclusionLAA fibrosis may contribute to an individual arrhythmia substrate for AF in patients with AF but also in those with SR and coincidence of MR. LAA fibrosis was not found to be predictive for clinical events in patients after CABG.
Compound Interaction Screen on a Photoactivatable Cellulose Membrane (CISCM) Identifies Drug Targets
Authors: Melder F. Teresa I. , Lindemann Peter , Welle Alexander , Trouillet Vanessa , Heißler Stefan , Nazaré Marc , Selbach Matthias 
Published: July 2022

AbstractIdentifying the protein targets of drugs is an important but tedious process. Existing proteomic approaches enable unbiased target identification but lack the throughput needed to screen larger compound libraries. Here, we present a compound interaction screen on a photoactivatable cellulose membrane (CISCM) that enables target identification of several drugs in parallel. To this end, we use diazirine‐based undirected photoaffinity labeling (PAL) to immobilize compounds on cellulose membranes. Functionalized membranes are then incubated with protein extract and specific targets are identified via quantitative affinity purification and mass spectrometry. CISCM reliably identifies known targets of natural products in less than three hours of analysis time per compound. In summary, we show that combining undirected photoimmobilization of compounds on cellulose with quantitative interaction proteomics provides an efficient means to identify the targets of natural products.
Predicting the language of depression from multivariate twitter data using a feature‐rich hybrid deep learning model
Authors: Kour Harnain , Gupta Manoj Kumar 
Published: July 2022

SUMMARYDepression is a clinical entity that might be difficult for a psychiatrist to diagnose it effectively on time. A depressed person usually suffers from distress and anxiety, leading to serious consequences if not diagnosed early. Social media platforms facilitate users to exchange ideas and dialogs, resulting in the collection of a huge volume of data. Analyzing user's online behavior to categorize depression is a challenging task for researchers. This motivated researchers to investigate machine learning, deep learning, and natural language processing techniques supporting research related to depression prediction. The dataset used in the study is a large‐scale Twitter dataset. This article aims to investigate a hybrid CNN‐LSTM deep learning model with the Word2Vec feature extraction technique for classifying depressive sentiments from Twitter data. By using TF‐IDF, PCA, and Word2Vec approaches, this model utilizes significant linguistic features present within the text. The proposed model is evaluated on four benchmark datasets and its efficiency is compared with four traditional machine learning models. Moreover, the proposed model's performance is compared to three deep learning‐based hybrid models. The proposed model showed comparable performance with the hybrid deep learning‐based models and outperformed state‐of‐the‐art machine learning techniques with an accuracy of 96.78% and an MSE score of 3.21.