bluuebunny/crossref_metadata_2025_split huggingface dataset:
CKD subpopulations defined by risk‐factors: A longitudinal analysis of electronic health records
Authors: Ramaswamy Rajagopalan , Wee Soon Nan , George Kavya , Ghosh Abhijit , Sarkar Joydeep , Burghaus Rolf , Lippert Jörg 
Published: September 2021

AbstractChronic kidney disease (CKD) is a progressive disease that evades early detection and is associated with various comorbidities. Although clinical comprehension and control of these comorbidities is crucial for CKD management, complex pathophysiological interactions and feedback loops make this a formidable task. We have developed a hybrid semimechanistic modeling methodology to investigate CKD progression. The model is represented as a system of ordinary differential equations with embedded neural networks and takes into account complex disease progression pathways, feedback loops, and effects of 53 medications to generate time trajectories of eight clinical biomarkers that capture CKD progression due to various risk factors. The model was applied to real world data of US patients with CKD to map the available longitudinal information onto a set of time‐invariant patient‐specific parameters with a clear biological interpretation. These parameters describing individual patients were used to segment the cohort using a clustering approach. Model‐based simulations were conducted to investigate cluster‐specific treatment strategies. The model was able to reliably reproduce the variability in biomarkers across the cohort. The clustering procedure segmented the cohort into five subpopulations – four with enhanced sensitivity to a specific risk factor (hypertension, hyperlipidemia, hyperglycemia, or impaired kidney) and one that is largely insensitive to any of the risk factors. Simulation studies were used to identify patient‐specific strategies to restrain or prevent CKD progression through management of specific risk factors. The semimechanistic model enables identification of disease progression phenotypes using longitudinal data that aid in prioritizing treatment strategies at individual patient level.
The effect of anthocyanins supplementation on liver enzymes among patients with metabolic disorders: A systematic review and meta‐analysis of randomized clinical trials
Authors: Zhou Fengling , She Wei , He Lin , Zhu Jiuqun , Gu Lu 
Published: September 2021

The present study aims to summarize and quantitatively examine the available evidence on the effectiveness of anthocyanin supplementation on liver enzymes among patients with metabolic disorders, by employing a systematic review and meta‐analytic approach. Online databases including PubMed/Medline, Scopus, ISI Web of Science, and Cochrane Library were searched up to June 2020 for randomized controlled trials (RCTs) that examined the effect of anthocyanin supplementation on serum levels of alanine aminotransferase (ALT) and aspartate aminotransferase (AST) among patients with metabolic disorders. To estimate the overall effect of anthocyanin supplementation, we employed the random‐effects model. In total, 12 RCTs were included in the systematic review. Pooled analysis did not show any significant changes in ALT (WMD: ‐0.92 U/L, 95% CI: −4.19 to 2.35, p = .58; I2 = 91.3%) and AST (WMD: −1.22 U/L, 95% CI: −3.43 to 0.99, p = .28; I2 = 87.0) concentrations after supplementation with anthocyanin. The dose and duration of supplementation were the potential sources of heterogeneity among most of the trials. However, subgroup analysis showed that the effect is not statistically significant in all subgroups. Overall, in our study, anthocyanin does not have any effect on liver enzyme levels significantly. However, future high‐quality studies are still needed to confirm the results.
Exploring the hole mobility of oligothiophene based donors with different spatial symmetry and conjugation length of backbone: A theoretical insight
Authors: Zhu Guojia , Zheng Shaohui 
Published: September 2021

AbstractNovel oligothiophene based donors have been synthesized and modified. However, how molecular modifications influence their molecular stacking and charge carrier mobility is not clear. In this work, we have selected two high‐performance oligothiophene based donors DRCN5T and DRCN6T to understand why the hole mobility of DRCN5T/PC71BM is much faster than that of DRCN6T/PC71BM in the experiment (Journal of the American Chemical Society, 2015). The computed data indicate that the maximum hole mobility of DRCN5T is about 20 times faster than that of DRCN6T. Moreover, DRCN5T has faster hole mobility than DRCN6T in almost every similar configuration. These mobility differences can be explained with the different positions and sparsity of side alkyl chains on the backbones. The work here gives a deep insight into the hole mobility in oligothiophene based OSCs and thereby may provide a guideline for future oligothiophene‐based donor material design and morphology control.
Nano Ni/g‐C3N4 Photocatalyzed Aerobic Oxidative Coupling Reaction toward Alkyl Aryl Ketones Derivatives under Visible Light Irradiation
Authors: Hosseini‐Sarvari Mona , Akrami Zahra 
Published: September 2021

AbstractIn the present study, the synthesis of a group of carbonyl compounds that are widely used in the chemical and pharmaceutical industries was prepared under mild and safe conditions. We developed a new method based on the nickel/carbon nitride (Ni/g‐C3N4) dual photocatalytic system to synthesize ketones without using expensive oxidants and heating. This article describes the oxidative coupling reactions between tertiary amines and aryl halides resulting in the production of natural aryl alkyl ketones. It should be noted that all these reactions were carried out using visible light, green solvents under eco‐friendly, one‐pot conditions, an air atmosphere, at room temperature, without the use of any oxidant.
Exploitation of Soybean Oil Acid Degumming Waste: Biocatalytic Synthesis of High Value Phospholipids
Authors: Allegretti Chiara , Bono Andrea , D'Arrigo Paola , Gatti Francesco G. , Marzorati Stefano , Rossato Letizia A. M. , Serra Stefano , Strini Alberto , Tessaro Davide 
Published: September 2021

AbstractThe acid degumming waste of the seeds oil refining industry is currently disposed of, but, instead, it could be exploited as an important source for the preparation of many products. In this work, the waste coming from the soybean oil refining step was first recovered and treated, allowing the isolation of a fraction enriched of phospholipids (PLs). Then, the latter was transformed, via an enzymatic reaction catalysed by phospholipase D (from Streptomyces netropsis), into more valuable products: polar head modified PLs‐enriched mixtures containing phosphatidylserine (PS), phosphatidylglycerol (PG), phosphatidylethanolamine (PE) and phosphatidylhydroxybutyrate (PB). In the following we show how biocatalysis can be exploited for the production of value‐added PLs, to be used as functional food and nutraceutical ingredients, from a renewable feedstock. This alternative to the industrial usual disposal procedures should impart to the whole process a greater value in terms of carbon recycling, in agreement with the paradigms of bioeconomy for a wiser reuse of renewable resources in a circular economy perspective.
Designing and Understanding the Outstanding Tri‐Iodide Reduction of N‐Coordinated Magnetic Metal Modified Defect‐Rich Carbon Dodecahedrons in Photovoltaics
Authors: Sun Menglong , Yun Sining , Shi Jing , Zhang Yongwei , Arshad Asim , Dang Jiaoe , Zhang Lishan , Wang Xi , Liu Zhuolei 
Published: September 2021

AbstractNitrogen‐coordinated metal‐modified carbon is regarded as a novel frontier electrocatalyst in energy conversion devices. However, the construction of intrinsic defects in a carbon matrix remains a great challenge. Herein, N‐coordinated magnetic metal (Fe, Co) modified porous carbon dodecahedrons (Fe/Co‐NPCD) with a large surface area, rich intrinsic defects, and evenly distributed metal‐Nx species are successfully synthesized via the rational design of iron precursor and the bimetallic‐organic frameworks. Because of a synergistic effect between N‐coordinated dual magnetic metal active sites, the Fe/Co‐NPCD exhibits exceptional electrocatalytic activity and electrochemical stability. A solar cell fabricates with the Fe/Co‐NPCD yields an impressive power conversion efficiency of 8.35% in dye‐sensitized solar cells, superior to that of mono‐metal‐doped carbon‐based cells and conventional Pt‐based cells. Furthermore, density functional theory calculations illustrate that Fe, Co, and N doping are in favor of improving the adsorption capacity of the catalyst for I3− species by optimizing the magnetic momentum between the magnetic metal atoms, thereby upgrading its catalytic activity. This work develops a general strategy for synthesizing a high‐performance defect‐rich carbon‐based catalyst, and offers valuable insight into the role of magnetic metals in catalysis, which can be used to guide the design of high‐performance catalysts in the energy field.
Strong Electron Coupling of Ru and Vacancy‐Rich Carbon Dots for Synergistically Enhanced Hydrogen Evolution Reaction
Authors: Liu Zonglin , Li Baoqiang , Feng Yujie , Jia Dechang , Li Caicai , Sun Qingfeng , Zhou Yu 
Published: September 2021

AbstractThe exploitation of ingenious strategies to improve the activity and stability of ruthenium (Ru) is crucial for the advancement of Ru‐based electrocatalysts. Vacancy engineering is a typical strategy for modulating the catalytic activity of electrocatalysts. However, creating vacancies directly into pure metallic Ru is difficult because of the extremely stringent conditions required and will result in instability because the integrity of the crystal structure is destroyed. In response, a compromise tactic by introducing vacancies in a Ru composite structure is proposed, and vacancy‐rich carbon dots coupled with Ru (Ru@CDs) are elaborately constructed. Specifically, the vacancy‐rich carbon dots (CDs) serve as an excellent platform for anchoring and trapping Ru nanoparticles, thus restraining their agglomeration and growth. As expected, Ru@CDs exhibited excellent catalytic performance with a low overpotential of 30 mV at 10 mA cm−2 in 1 m KOH, a small Tafel slope of 22 mV decade−1, and robust stability even after 10 000 cycles. The low overpotential is comparable to those of most previously reported Ru‐based electrocatalysts. Additionally, spectroscopic characterizations and theoretical calculations demonstrate that the rich vacancies and the electron interactions between Ru and CDs synergistically lower the intermediate energy barrier and thereby maximize the activity of the Ru@CDs electrocatalyst.
3D Printed Electrochromic Supercapacitors with Ultrahigh Mechanical Strength and Energy Density
Authors: Chang Peng , Mei Hui , Zhang Minggang , Zhao Yu , Wang Xiao , Cheng Laifei , Zhang Litong 
Published: September 2021

AbstractWith the accelerating update of advanced electronic gadgets, a great deal of attention is being paid today to the function integration and intelligent design of electronic devices. Herein, a novel kind of multitasking 3D oxygen‐deficient WO3–x ∙ 2H2O/Ag/ceramic microscaffolds, possessing simultaneous giant energy density, ultrahigh mechanical strength, and reversible electrochromic performance is proposed, and fabricated by a 3D printing technique. The ceramic microscaffolds ensure outstanding mechanical strength and stability, the topology optimized porous lattice structure provides developed surface area for coloration as well as abundant easily accessible channels for rapid ion transportation, and the bifunctional oxygen‐defective pseudomaterials enable the large areal capacity and impressive electrochromic performance. As a result, this 3D‐printed multitasking microscaffolds simultaneously perform structure‐designable, electrochromic, compression resistant, and energy storage functions, behaving with true 3D structure with tailorable curvatures, excellent compressive strength (61.9 MPa), large color variations (>145% in b* value), good aesthetic visual quality as well as exciting electrochemical performances for energy storage including ultrahigh areal capacitance (10.05 F cm−2 at 5 mA cm−2), record‐high energy density (0.60 mWh cm−2), and superior long‐term cycling stability (88.6% capacity retention after 10 000 cycles). This work opens up the possibility for high‐performance multi‐functional coupling structural materials and integrated systems.
Versatile Design of Functional Organic–Inorganic 3D‐Printed (Opto)Electronic Interfaces with Custom Catalytic Activity
Authors: Muñoz Jose , Redondo Edurne , Pumera Martin 
Published: September 2021

AbstractThe ability to combine organic and inorganic components in a single material represents a great step toward the development of advanced (opto)electronic systems. Nowadays, 3D‐printing technology has generated a revolution in the rapid prototyping and low‐cost fabrication of 3D‐printed electronic devices. However, a main drawback when using 3D‐printed transducers is the lack of robust functionalization methods for tuning their capabilities. Herein, a simple, general and robust in situ functionalization approach is reported to tailor the capabilities of 3D‐printed nanocomposite carbon/polymer electrode (3D‐nCE) surfaces with a battery of functional inorganic nanoparticles (FINPs), which are appealing active units for electronic, optical and catalytic applications. The versatility of the resulting functional organic–inorganic 3D‐printed electronic interfaces is provided in different pivotal areas of electrochemistry, including i) electrocatalysis, ii) bio‐electroanalysis, iii) energy (storage and conversion), and iv) photoelectrochemical applications. Overall, the synergism of combining the transducing characteristics of 3D‐nCEs with the implanted tuning surface capabilities of FINPs leads to new/enhanced electrochemical performances when compared to their bare 3D‐nCE counterparts. Accordingly, this work elucidates that FINPs have much to offer in the field of 3D‐printing technology and provides the bases toward the green fabrication of functional organic–inorganic 3D‐printed (opto)electronic interfaces with custom catalytic activity.
In situ Irradiated XPS Investigation on S‐Scheme TiO2@ZnIn2S4 Photocatalyst for Efficient Photocatalytic CO2 Reduction
Authors: Wang Libo , Cheng Bei , Zhang Liuyang , Yu Jiaguo 
Published: September 2021

AbstractReasonable design of efficient hierarchical photocatalysts has gained significant attention. Herein, a step‐scheme (S‐scheme) core‐shell TiO2@ZnIn2S4 heterojunction is designed for photocatalytic CO2 reduction. The optimized sample exhibits much higher CO2 photoreduction conversion rates (the sum yield of CO, CH3OH, and CH4) than the blank control, i.e., ZnIn2S4 and TiO2. The improved photocatalytic performance can be attributed to the inhibited recombination of photogenerated charge carriers induced by S‐scheme heterojunction. The improvement is also attributed to the large specific surface areas and abundant active sites. Meanwhile, S‐scheme photogenerated charge transfer mechanism is testified by in situ irradiated X‐ray photoelectron spectroscopy, work function calculation, and electron paramagnetic resonance measurements. This work provides an effective strategy for designing highly efficient heterojunction photocatalysts for conversion of solar fuels.
Extremely Uniform Graphene Oxide Thin Film as a Universal Platform for One‐Step Biomaterial Patterning
Authors: Kim Cheol‐Hwi , Han Yoojoong , Choi Yoon , Kwon Minkyeong , Son Hyungbin , Luo Zhengtang , Kim Tae‐Hyung 
Published: September 2021

AbstractGraphene oxide (GO) has proven to be a highly promising material across various biomedical research avenues, including cancer therapy and stem cell‐based regenerative medicine. However, creating a uniform GO coating as a thin layer on desired substrates has been considered challenging owing to the intrinsic variability of the size and shape of GO. Herein, a new method is introduced that enables highly uniform GO thin film (UGTF) fabrication on various biocompatible substrates. By optimizing the composition of the GO suspension and preheating process to the substrates, the “coffee‐ring effect” is significantly suppressed. After applying a special postsmoothing process referred to as the low‐oxygen concentration and low electrical energy plasma (LOLP) treatment, GO is converted to small fragments with a film thickness of up to several nanometers (≈5.1 nm) and a height variation of only 0.6 nm, based on atomic force microscopy images. The uniform GO thin film can also be generated as periodic micropatterns on glass and polymer substrates, which are effective in one‐step micropatterning of both antibodies and mouse melanoma cells (B16‐F10). Therefore, it can be concluded that the developed UGTF is useful for various graphene‐based biological applications.
Single Cobalt Atoms Decorated N‐doped Carbon Polyhedron Enabled Dendrite‐Free Sodium Metal Anode
Authors: Li Yijuan , Xu Pan , Mou Jirong , Xue Shoufeng , Huang Shaoming , Hu Junhua , Dong Quanfeng , Yang Chenghao , Liu Meilin 
Published: September 2021

AbstractUncontrollable growth of sodium dendrites during the sodium deposition and stripping processes remains a huge challenge for achieving high‐performance sodium metal batteries (SMBs), which results in ineffective utilization of metallic Na, low Coulombic efficiency, and inferior cycling life. Here, a single Co atom uniformly decorated porous nitrogen‐doped carbon polyhedron (CoSA@NC) matrix has been fabricated and introduced to control the Na growth and achieve uniform Na nucleation/deposition. Cryo‐electron microscopy and in situ optical microscopy techniques have been utilized to analyze the morphology change of metallic Na during plating/stripping processes. The single Co atoms evenly embedded in NC electrodes can provide stable Na‐philic sites for Na ions adsorption, which is helpful to guide the uniform sodium deposition and prevent Na dendrites growth. This work thus provides an effective solution to inhibit Na dendrite growth and control Na nucleation behavior from the perspective of atomic level, towards the fabrication of high‐safety and long‐cycling SMBs.
Macroeconomic shocks and racial labor market differences
Authors: De Kuhelika , Compton Ryan A. , Giedeman Daniel C. , Hoover Gary A. 
Published: September 2021

AbstractWe investigate the effects of three structural macroeconomic shocks (monetary, demand, and supply) on the labor market outcomes of black and white Americans using a factor‐augmented vector autoregression (FAVAR) framework with 136 U.S. macroeconomic indicators from 1973 to 2017. Our results indicate that adverse macroeconomic shocks have differential effects on labor market outcomes for blacks and whites, hurting blacks disproportionately more than whites. Black Americans' labor market outcomes appear to be significantly more sensitive to macroeconomic shocks than are the outcomes for white Americans. Our findings indicate that business‐cycle costs are disproportionately borne by black Americans and that racial inequality in the labor market rises in recessions. The strongest effects occur in recessions caused by supply side disturbances. Our results suggest policymakers should take these heterogeneous effects into account when designing policy.
SDFunc: Modular spreadsheet design with sheet‐defined functions in Microsoft Excel
Authors: Turk Tomaž 
Published: September 2021

AbstractThe goal of the SDFunc tool is to enable spreadsheet developers to build their model computations in Microsoft Excel according to the modular design approach, that is, the separation of the functionalities into independent, interchangeable modules with interfaces that provide input and output elements. This concept has been theoretically developed in recent years and is known as sheet‐defined functions in the literature. In this article, we are presenting our implementation of the tool and the evaluation steps that we took to make the tool interesting and suitable for the assessment of the modular approach in spreadsheet development by the industry, specifically within organizational and companies' settings where the spreadsheet developers and end‐users involved in experiments expect to use a well‐established spreadsheet platform. We also demonstrated that sheet‐defined functions can be implemented by development tools already present in Microsoft Excel.
Atriumüberdachung und Stahlwendeltreppe für das Laborgebäude D‐BSSE der ETH Zürich in Basel
Authors: Poorbiazar Sascha , Naeff Andreas , Kusch Oliver , Lünser Katrin 
Published: September 2021

AbstractIm Zeitraum von 2013, der Veröffentlichung des Wettbewerbs, über die Grundsteinlegung in 2018 bis zur Fertigstellung voraussichtlich Anfang des Jahres 2022 entstand auf dem Campus der Universität Basel ein Labor‐ und Forschungsgebäude für das Department of Biosystems Science and Engineering (D‐BSSE) der ETH Zürich. Zentrales gestalterisches Element des Neubaus ist ein lichtdurchflutetes Atrium, welches mit einem äußerst transparenten Glasdach abschließt. Die gewünschte Leichtigkeit des Tragwerks konnte nur mit einer Gitternetzschale erreicht werden, deren Geometrie in einem Formfindungsprozess optimiert worden ist. Die maximalen Abmessungen des Atriums, dessen Grundriss an ein „Dreieck mit ausgerundeten Ecken“ erinnert, betragen etwa 20 m × 35 m. In zwei gegenüberliegenden Ecken des Atriums setzt je eine skulpturale Wendeltreppe einen weiteren architektonischen Akzent. Die beiden Treppen sind freitragend und verbinden zwei bzw. drei Geschosse. Diese drei raumprägenden Stahlobjekte entstanden in intensiver Zusammenarbeit zwischen Architekten und Tragwerksplanern. Auf den Entwurfsprozess und die technischen Herausforderungen bei Planung und Montage der Stahltragwerke wird im Folgenden näher eingegangen.
Evaluation of Enzymatic and Chemical Treatments to Produce Oxalate Depleted Starch from a Novel Variety of Colocasia esculenta Grown in Joida, India
Authors: Kizhakedathil Moni Philip Jacob , Belur Prasanna D. , Wongsagonsup Rungtiwa , Suphantharika Manop , Agoo Esperanza Maribel G. , Janairo Jose Isagani B. 
Published: September 2021

AbstractThis research aimed to study granular and molecular structures, physicochemical, and functional properties of the starch extracted from a novel, dasheen type of taro conserved, and cultivated by several generations of Kunabi tribes of Joida, Karnataka, India. Further, an enzymatic (oxalate oxidase) and chemical (phosphoric acid) treatment processes are evaluated for reducing total oxalate content in the starch extracted from the taro flour. The total oxalate content of the taro flour is found to be 2344 mg 100 g−1, and the starch yield is about 45% in all the methods. The oxalate oxidase (OxO) and phosphoric acid treatment reduced the total oxalate content by 98.37% and 98.03%, respectively. The residual oxalate content in the resultant starch is within the threshold limit (71 mg 100 g−1). The study of characteristic properties of enzyme‐treated (ET), phosphoric acid‐treated (PT), and native starch (NT) revealed minor changes in ET and PT compared to NT.