bluuebunny/crossref_metadata_2025_split huggingface dataset:
Predictive model for postoperative pleural effusion after hepatectomy
Authors: Nitta Hidetoshi , Mitsuura Chisho , Shiraishi Yuta , Miyata Tatsunori , Shimizu Kenji , Harada Kazuto , Karashima Ryuichi , Masuda Toshiro , Matsumoto Katsutaka , Okino Tetsuya , Yamashita Yo‐ichi , baba Hideo , Takamori Hiroshi 
Published: December 2020

AbstractAimSevere postoperative pleural effusion (sPOPE) after hepatectomy can lead to respiratory distress and may require thoracic drainage, leading to prolonged hospitalization. Preventive chest tube insertion may be useful for patients at high risk for sPOPE. We aimed to develop a predictive model for sPOPE after hepatectomy and evaluate indications for preventive chest tube insertion using our model.MethodsWe evaluated all patients who underwent hepatectomy from 2013 to 2020. Risk factors for sPOPE were used to develop a predictive model for sPOPE, which was validated in a cohort that received preventative chest tube placement postoperatively.ResultsA total of 325 patients were analyzed. Thirty‐one (9.5%) patients had a preventive chest tube placed at the end of their operation. Twenty‐one patients out of the remaining 294 patients developed sPOPE. Multivariate analysis identified resection containing segment 8 [relative risk (RR) 3.24, P = .022], intraoperative bleeding ≥ 500 g (RR 4.02, P = .008), intraoperative diaphragmatic incision (RR 6.96, P = .042) and open hepatectomy (RR 7.51, P = .016) as independently associated with sPOPE. The estimated probability of sPOPE ranged from 0.4% in patients with none of these factors to 73.4% in the presence of all factors. Among the 31 patients who received a preventive chest tube, more patients in the high‐risk group defined by the model had postoperative pleural effusions compared to the low‐risk group (P = .012).ConclusionOur predictive model for sPOPE using four risk factors allows for reliable prediction and may be useful for selection of preventive chest tube in patients undergoing hepatectomy.
Pathways to Well‐being among LGBT adults: Sociopolitical Involvement, Family Support, Outness, and Community Connectedness with Race/Ethnicity as a Moderator
Authors: Roberts Leah Marion , Christens Brian D. 
Published: December 2020

AbstractPeople who identify as lesbian, gay, bisexual, and/or transgender (LGBT) experience disparate levels of psychological distress due to marginalization, yet there are also opportunities for community connectedness and sociopolitical involvement in identify‐specific issues and organizations, which may improve psychological well‐being. This study contributes to intersectional research on LGBT psychological well‐being by locating LGBT community connectedness as a mediator of the associations between well‐being and (a) LGBT sociopolitical involvement and (b) being out as LGBT among a sample of predominately LGBT‐identified adults in the United States and Puerto Rico (n = 4940) across four racial/ethnic identity groups: non‐Hispanic Black, Latinx/Hispanic, non‐Hispanic White, and other races/ethnicities. Analyses revealed that separate models were operating across racial/ethnic identity groups. Path analysis further showed that LGBT community connectedness mediated (either partially or fully) the effects of both LGBT sociopolitical involvement and outness on well‐being. Direct effects on well‐being were also found for family support across all groups and for outness only among the non‐Hispanic White and other races/ethnicities groups. Community leaders and practitioners should seek to create opportunities for LGBT sociopolitical involvement and other activities that may facilitate feeling connected to LGBT community as part of efforts to promote LGBT well‐being.
Synthesis, structural characterization, and biological studies of ATBS–M complexes (M(II) = Cu, Co, Ni, and Mn): Access for promising antibiotics and anticancer agents
Authors: Ismael Mohamed , Abdel‐Rahman Laila H. , Abou El‐ezz Doaa , Ahmed Ebtehal A.‐H. , Nafady Ayman 
Published: December 2020

AbstractA new bidentate Schiff base ligand (ATBS [4‐bromo‐2‐(thiazole‐2‐yliminomethyl)phenol]) was synthesized via the condensation reaction of 2‐aminothiazole with 5‐bromosalicylaldehyde in ethanol. The reaction of ATBS with transition metal salts of Cu(II), Co(II), Ni(II), and Mn(II) afforded the corresponding ATBS–M complexes. Results from physicochemical and spectral analyses, such as elemental analysis, infrared, UV–Vis spectroscopy, magnetic susceptibility, and molar conductance, revealed a nonelectrolytic nature with octahedral (Oh) geometry and a metal/ligand ratio of 1:2 for Cu(II), Co(II), and Ni(II), but 1:1 for the Mn(II) complex. The density functional theory (DFT) calculations are correlated very well with the proposed structure and molecular geometry of the complexes as [M(ATBS)2] (M = Cu, Co, and Ni) and [Mn(ATBS)(H2O)2]. Significantly, the prepared compounds showed strong inhibition activity for a wide spectrum of bacteria (Escherichia coli, Bacillus subtilis, and Staphylococcus aureus) and fungi (Candida albicans, Aspergillus flavus, and Trichophyton rubrum), with the ATBS–Ni complex being the most promising antibiotic agent. Molecular docking studies of the binding interaction between the title complexes with the bacterial protein receptor CYP51 revealed clear insights about the inhibition nature against the studied microorganisms, with the following order: ATBS–Cu > ATBS–Mn > ATBS–Ni > ATBS–Co for complex stability. Moreover, the cytotoxicity measurements of all prepared metal complexes against the colon carcinoma (HCT‐116) and hepatocellular carcinoma (Hep‐G2) cell lines showed exceptional anticancer efficacy of the complexes as compared with the free ATBS Schiff base ligand. Significantly, the results attested that ATBS–Cu is the most effective complex against HCT‐116 cells, whereas ATBS–Mn has the highest cytotoxic efficiency against Hep‐G2 cells. Furthermore, electronic spectra, viscosity measurements, and gel electrophoresis techniques were employed to probe the interaction of all prepared ATBS–metal complexes with calf thymus (CT)‐DNA. Results confirmed that all complexes are strongly bound to CT‐DNA via intercalation mode, with the ATBS–Co complex having the highest binding ability.
Bifunctional Catalysts Containing Zn(II) and Imidazolium Salt Ionic Liquids for Chemical Fixation of Carbon Dioxide
Authors: Shang Hui , Bai Shiyang , Yao Jie , Ma Shuangshuang , Sun Jihong , Su Hongjing , Wu Xia 
Published: December 2020

AbstractZn(II) can efficiently promote the catalytic performance of imidazolium salt ionic liquids (imi‐ILs) for the chemical fixation of CO2 into epoxides. To obtain sustainability, immobilized bifunctional catalysts containing both imi‐ILs and Zn(II) were prepared using bimodal mesoporous silica (BMMs) as carrier, through grafting of Zn(OAc)2 and 1‐(trimethoxysilyl)propyl‐3‐methylimidazolium chloride (Si‐imi) separately in the nanopores. The catalysts, named as BMMs−Zn&ILs, were identified as efficient catalysts for cycloaddition reaction of CO2 into epoxides under solvent‐free conditions. BMMs−Zn&ILs showed good catalytic activity, which increased with the increase of the molar ratio of Zn(II) to Si‐imi. As a comparison, different catalytic systems including homogeneous imi‐IL, BMMs‐ILs and BMMs−Zn were studied to demonstrate different cooperation behaviors. Furthermore, the kinetics studies of homogeneous and heterogeneous bifunctional catalysts were employed to confirm the differences, as well as to support the proposed cooperative catalysis mechanism in the nanopores.
Modelle zur Vorhersage des Schwindens und Kriechens von Beton
Authors: Müller Harald S. , Acosta Urrea Fernando , Kvitsel Vladislav 
Published: December 2020

AbstractIm Herbst dieses Jahres wurde die Überarbeitung der EN 1992‐1‐1:2004 (Eurocode 2) abgeschlossen und damit der Entwurf prEN 1992‐1‐1:2020 vorgelegt. Er stellt der Praxis zahlreiche neue und bessere Konzepte und Modelle zur Verfügung. Dies gilt auch für die Modelle zum Kriechen und Schwinden von Konstruktionsbeton, die zum Teil erhebliche Veränderungen erfahren haben. In diesem zweiteiligen Aufsatz (Teil 1 Schwinden, Teil 2 Kriechen) werden die neuen Modelle zur Prognose des Verformungsverhaltens von Beton vorgestellt. Er beleuchtet auch die Hintergründe, die zur Entwicklung der verbesserten Ansätze geführt haben.Dieser Beitrag befasst sich mit dem Schwinden von Beton. In einem Überblick werden zunächst die wesentlichen Schwindarten und ihre Merkmale dargestellt. Danach werden die normativen Entwicklungen aufgezeigt, die zum heute gültigen Schwindmodell in DIN EN 1992‐1‐1:2011 geführt haben. Im Mittelpunkt steht die Analyse der Zuverlässigkeit und Genauigkeit dieses Modells. Sie ergab erhebliche Defizite, die Anlass für eine wesentliche Korrektur und Weiterentwicklung im Zuge der Erarbeitung der prEN 1992‐1‐1:2020 waren. Zahlreiche Untersuchungsergebnisse untermauern den neuen Ansatz, der hier vorgestellt und begründet wird. Statistische Betrachtungen zur Zuverlässigkeit des neuen Modells und die Darstellung eines Konzepts für den Einbezug von Laborversuchsdaten zur Verbesserung des Modells bilden den Abschluss des Beitrags.
Do financial penalties for environmental violations facilitate improvements in corporate environmental performance? An empirical investigation
Authors: Shevchenko Anton 
Published: December 2020

AbstractEnvironmental regulations play an essential role in managing firm behavior and providing a reference point for the minimum standards of corporate environmental performance, yet certain firms fail to ensure their environmental performance meets these standards. This research focuses on public firms that the US government has penalized for violating environmental regulations and investigates whether these firms subsequently improved their environmental performance. Surprisingly, neither the receipt of a penalty for an environmental violation nor the imposition of a greater penalty was associated with improvements in environmental performance. Instead, a penalty for environmental violation predicted further, albeit mild, deterioration in environmental performance. While the existing literature has established that financial penalties deter most firms from committing environmental violations, this research contributes to this literature by revealing that these penalties fail to motivate firms that have violated environmental regulations to improve their environmental performance.
Looking for sustainable development: Socially responsible mutual funds and the low‐carbon economy
Authors: Soler‐Domínguez Amparo , Matallín‐Sáez Juan Carlos , de Mingo‐López Diego Víctor , Tortosa‐Ausina Emili 
Published: December 2020

AbstractSustainable investment responds to demands for carbon and climate‐neutral societies. To address the urgency around climate change and provide investors with more qualified information, Morningstar has developed the Low Carbon Designation (LCD) to indicate that the companies held in a portfolio are in general alignment with the transition to a low‐carbon economy. The designation is given to portfolios that have low carbon risk and fossil fuel exposure scores. The present study builds on the LCD by examining the relationship between these scores and financial performance. With this aim, we analyze 3920 socially responsible mutual funds from across the world. Results show differences in financial performance according to scores and investment areas. We find evidence that funds considered to have higher levels of sustainability achieved better performance than funds with higher exposure to companies involved in carbon and fossil fuel industries. We provide insights on the informativeness of these new scores with a focus on climate change and their relevance in helping investors to identify climate‐aware funds. This study highlights the importance of introducing strategies to develop green finance; the analysis confirms that sustainability improves performance. Finally, the LCD indicator is shown to be relevant for making fairer comparisons among socially responsible funds and, ultimately, for developing low‐carbon economies.
Consequences of canceling elective invasive cardiac procedures during Covid‐19 outbreak
Authors: Moreno Raúl , Díez José‐Luis , Diarte José‐Antonio , Macaya Fernando , de la Torrre Hernández José‐María , Rodríguez‐Leor Oriol , Trillo Ramiro , Alonso‐Briales Juan , Amat‐Santos Ignacio , Romaguera Rafael , Díaz José‐Francisco , Vaquerizo Beatriz , Ojeda Soledad , Cruz‐González Ignacio , Morena‐Salas Daniel , Pérez de Prado Armando , Sarnago Fernando , Portero Pilar , Gutierrez‐Barrios Alejandro , Alfonso Fernando , Bosch Eduard , Pinar Eduardo , Ruiz‐Arroyo José‐Ramón , Ruiz‐Quevedo Valeriano , Jiménez‐Mazuecos Jesús , Lozano Fernando , Rumoroso José‐Ramón , Novo Enrique , Irazusta Francisco J , García del Blanco Bruno , Moreu José , Ballesteros‐Pradas Sara M , Frutos Araceli , Villa Manuel , Alegría‐Barrero Eduardo , Lázaro Rosa , Paredes Emilio 
Published: December 2020

AbstractBackgroundDuring COVID‐19 pandemic in Spain, elective procedures were canceled or postponed, mainly due to health care systems overwhelming.ObjectiveThe objective of this study was to evaluate the consequences of interrupting invasive procedures in patients with chronic cardiac diseases due to the COVID‐19 outbreak in Spain.MethodsThe study population is comprised of 2,158 patients that were pending on elective cardiac invasive procedures in 37 hospitals in Spain on the 14th of March 2020, when a state of alarm and subsequent lockdown was declared in Spain due to the COVID‐19 pandemic. These patients were followed‐up until April 31th.ResultsOut of the 2,158 patients, 36 (1.7%) died. Mortality was significantly higher in patients pending on structural procedures (4.5% vs. 0.8%, respectively; p < .001), in those >80 year‐old (5.1% vs. 0.7%, p < .001), and in presence of diabetes (2.7% vs. 0.9%, p = .001), hypertension (2.0% vs. 0.6%, p = .014), hypercholesterolemia (2.0% vs. 0.9%, p = .026) [Correction added on December 23, 2020, after first online publication: as per Dr. Moreno's request changes in p‐values were made after original publication in Abstract.], chronic renal failure (6.0% vs. 1.2%, p < .001), NYHA > II (3.8% vs. 1.2%, p = .001), and CCS > II (4.2% vs. 1.4%, p = .013), whereas was it was significantly lower in smokers (0.5% vs. 1.9%, p = .013). Multivariable analysis identified age > 80, diabetes, renal failure and CCS > II as independent predictors for mortality.ConclusionMortality at 45 days during COVID‐19 outbreak in patients with chronic cardiovascular diseases included in a waiting list due to cancellation of invasive elective procedures was 1.7%. Some clinical characteristics may be of help in patient selection for being promptly treated when similar situations happen in the future.
Steric Effects in the Catalytic Tandem Isomerization‐Hydrosilylation Reaction
Authors: Prieto Unai , Azpeitia Susan , Sebastian Eider San , Freixa Zoraida , Garralda María A. , Huertos Miguel A. 
Published: December 2020

AbstractThe selective synthesis of linear silanes from remote alkenes is reported. Four new silane‐thioether bidentate proligands [SiMe2H(o‐C6H4SR)] (R=iBu, pentyl, benzyl, neopentyl) have been synthesized and used to form unsaturated and cationic 16‐electron hydrido‐silyl‐RhIII complexes. These compounds are efficient catalysts for the tandem catalytic alkene isomerization‐hydrosilylation reaction at room temperature under solvent‐free conditions. The different size of the substituent on the sulfur atom results on a difference in the activity of this tandem reaction. Experimental observations demonstrate that the isomerization process is the rate‐determining step of this catalytic transformation. This process would be of value to the chemical industry because mixtures of internal aliphatic olefins are substantially cheaper and more readily available than the pure terminal isomers.
Organocatalyzed C−N bond‐forming Reactions for the Synthesis of Amines and Amides
Authors: Upadhyay Rahul , Rana Rohit , Maurya Sushil K. 
Published: December 2020

AbstractThe synthesis of organonitrogen compounds via C−N bond formation emerges as a versatile route for drug discovery. Most of the pharmaceuticals and natural products, which are predominantly used generally contain amine functionalities and amide linkages in their structure. Traditionally, the synthesis is done by using several metal catalysts and hazardous chemicals. The organocatalyzed synthetic protocol provides a sustainable and eco‐compatible route for the synthesis of organonitrogen compounds and at the same time also avoids metal contamination. The main aim of this Review is to provide an overview of the organocatalyzed amine and amide synthesis via C−N bond formation reactions. We hope this Review provides valuable information about the organocatalyzed reaction to enable the development of more sustainable routes to form these linkages.
Mesoporous NiFe2O4 with Tunable Pore Morphology for Electrocatalytic Water Oxidation
Authors: Simon Christopher , Timm Jana , Tetzlaff David , Jungmann Jonas , Apfel Ulf‐Peter , Marschall Roland 
Published: December 2020

AbstractMesoporous NiFe2O4 for electrocatalytic water splitting was prepared via soft‐templating using citric‐acid‐complexed metal nitrates as precursors. The mesopore evolution during thermal treatment was examined systematically giving insights into the formation process of mesoporous NiFe2O4. Detailed nitrogen physisorption analysis including desorption scanning experiments reveal the presence of highly accessible mesopores generating surface areas of up to 200 m2/g. The ability of the NiFe2O4 powders to perform electrocatalytic oxygen evolution reaction under alkaline conditions was investigated, highlighting the advantages of mesopore insertion. The most active samples reach a current density of 10 mA cm−2 at an overpotential of 410 mV with a small Tafel slope of 50 mV dec−1, indicating an enhanced activity that originated from the increased catalyst surface.
Effect of Electrolyte Composition and Concentration on Pulsed Potential Electrochemical CO2 Reduction
Authors: Casebolt Rileigh , Kimura Kevin W. , Levine Kelsey , Cimada DaSilva Jessica Akemi , Kim Jiyoon , Dunbar Tyler A. , Suntivich Jin , Hanrath Tobias 
Published: December 2020

AbstractWith rising CO2 emissions and growing interests towards CO2 valorization, electrochemical CO2 reduction (eCO2R) has emerged as a promising prospect for carbon recycling and chemical energy storage. Yet, product selectivity and electrocatalyst longevity persist as obstacles to the broad implementation of eCO2R. A possible solution to ameliorate this challenge is to pulse the applied potential. However, it is currently unclear whether and how the trends and lessons obtained from the more conventional constant potential eCO2R translate to pulsed potential eCO2R. In this work, we report that the relationship between electrolyte concentration/composition and product distribution for pulsed potential eCO2R is different from constant potential eCO2R. In the case of constant potential eCO2R, increasing KHCO3 concentration favors the formation of H2 and CH4. In contrast, for pulsed potential eCO2R, H2 formation is suppressed due to the periodic desorption of surface protons, while CH4 is still favored. In the case of KCl, increasing the concentration during constant potential eCO2R does not affect product distribution, mainly producing H2 and CO. However, increasing KCl concentration during pulsed potential eCO2R persistently suppresses H2 formation and greatly favors C2 products, reaching 71 % Faradaic efficiency. Collectively, these results provide new mechanistic insights into the pulsed eCO2R mechanism within the context of proton‐donator ability and ionic conductivity.
NiFeMo Nanoparticles Encapsulated within Nitrogen‐Doped Reduced Graphene Oxide as Bifunctional Electrocatalysts for Zinc‐Air Batteries
Authors: Zeng Wenwen , Wei Chaohui , Zeng Kai , Cao Xuecheng , Rümmeli Mark H. , Yang Ruizhi 
Published: December 2020

AbstractRechargeable metal‐air batteries (MABs) have emerged as promising candidates for portable energy storage technologies because of their favorable energy/power density, safety, and cost‐effectiveness. However, the lack of advanced bifunctional electrocatalysts for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) restricts the commercial realization of rechargeable MABs. Herein, we developed a facile fabrication route to prepare N‐doped graphene oxide encapsulating nanoparticles of a ternary NiFe metal oxide (NiFeMo@N‐rGO) serving as an efficient bifunctional catalyst. The obtained NiFeMo@N‐rGO bifunctional catalyst demonstrates a comparable catalytic reactivity when compared to precious metal catalysts in alkaline electrolytes regarding ORR/OER performance (ORR: half‐wave potential of 0.82 V; OER: overpotential of 330 mV; ▵E: 0.73 V at 10 mA cm−2). The assembled zinc‐air batteries (ZABs) catalyzed by NiFeMo@N‐rGO exhibit a high power density of 120 mW cm−2 and a capacity of 721 mAh gZn−1, coupled with long‐term durability of over 200 h. This contribution paves a practical avenue to prepare efficient bifunctional catalysts for superior ZABs.
Fluidization of fine lactose for dry powder inhalation: A comparison of assisting methods
Authors: Zhang Fuweng , La Zara Damiano , Sun Feilong , Quayle Michael J. , Petersson Gunilla , Folestad Staffan , van Ommen J. Ruud 
Published: December 2020

AbstractFluidization of cohesive pharmaceutical powders is difficult to achieve and typically requires the introduction of external forces. This study investigates the fluidization of the fine inhalation grade of lactose powders (size range from 0.1‐20 μm) that are specifically developed for dry powder inhalation (DPI) applications. The fluidization behaviour of fine lactose powders was evaluated under six conditions: without fluidization aids, with only vertical vibration (VFA), with only a downward‐pointing micro‐jet (MFA), with both vibration and pre‐mixing with coarse particles (VCFA), with both vibration and micro‐jet (VMFA), and with the combined assistance of vibration, micro‐jet, and addition of coarse particles (VMCFA). The enhancement of fluidization due to the use of different assistance methods is reflected by the increase of bed expansion and the decrease in both the minimum fluidization velocity and agglomerate formation. However, applying micro‐jet results in considerable powder losses due to the high fraction of fine particles stuck to the wall. Combining any two assisting methods leads to better fluidization than using a single approach. In particular, the combination of vibration and micro‐jet shows the best performance in improving fluidization. Further addition of coarse particles does not play a significant influence on promoting fluidization. Finally, the analysis of the forces acting on the lactose agglomerates shows the enhancement of separation forces by introducing the fluidization assistance, which leads to a decrease in agglomerate size.