bluuebunny/crossref_metadata_2025_split huggingface dataset:
Facile synthesis of colloidal nitrogen‐doped titanium carbide sheets with enhanced electrochemical performance
Authors: Qiu Tianlun , Li Guohui , Shao Yuanlong , Jiang Kun , Zhao Fangfang , Geng Fengxia 
Published: May 2020

AbstractHeteroatom nitrogen doping in two‐dimensional transition metal carbides, known as MXenes, has been considered as a promising strategy for modulating their electronic structure and electrochemical reactivity. While high‐temperature annealing in the presence of a nitrogen source has been one popular method to introduce nitrogen, annealing exfoliated multilayered MXenes typically brings about incomplete delamination and the treatment of delaminated monolayer MXenes often leads to irreversible restacking. Here, starting from the typical carbide precursor, we developed an aqueous colloid containing monolayered nitrogen‐doped titanium carbide sheets with excellent dispersity and stability. This achievement is critically dependent on the retaining of the hydrophilic surface of host layers during annealing treatment. The successful realization of nitrogen doping into individual MXene monolayers resulted in enhanced electrical conductivity and redox reactivity, for which the sample exhibited excellent capacitive electrochemical performance (586 F/g at a scan rate of 5 mV/s) and cycling stability (capacitance retention of 96.2% after 104 cycles at 5 A/g). This paper presents a feasible and simple strategy for designing nitrogen‐doped MXenes colloid, the realization of which promises its facile uses in liquid phase engineering techniques toward versatile applications.
The Effect of α‐Branched Side Chains on the Structural and Opto‐Electronic Properties of Poly(Diketopyrrolopyrrole‐alt‐Terthiophene)
Authors: Saes Bart W. H. , Wienk Martijn M. , Janssen René A. J. 
Published: May 2020

AbstractIntroducing solubilizing α‐branched alkyl chains on a poly(diketopyrrolopyrrole‐alt‐terthiophene) results in a dramatic change of the structural, optical, and electronic properties compared to the isomeric polymer carrying β‐branched alkyl side chains. When branched at the α‐position the alkyl substituent creates a steric hindrance that reduces the tendency of the polymer to π–π stack and endows the material with a much higher solubility in common organic solvents. The wider π–π stacking and reduced tendency to crystallize, evidenced from grazing‐incidence wide‐angle X‐ray scattering, result in a wider optical band gap in the solid state. In solar cells with a fullerene acceptor, the α‐branched isomer affords a higher open‐circuit voltage, but an overall lower power conversion efficiency as a result of a too well‐mixed nanomorphology. Due its reduced π–π stacking, the α‐branched isomer fluoresces and affords near‐infrared light‐emitting diodes emitting at 820 nm.
A Visible‐Light‐Powered Polymerization Method for the Immobilization of Enantioselective Organocatalysts into Microreactors
Authors: Warias Rico , Ragno Daniele , Massi Alessandro , Belder Detlev 
Published: May 2020

AbstractA versatile one‐step photopolymerization approach for the immobilization of enantioselective organocatalysts is presented. Chiral organocatalyst‐containing monoliths based on polystyrene divinylbenzene copolymer were generated inside channels of microfluidic chips. Exemplary performance tests were performed for the monolithic Hayashi–Jørgensen catalyst in continuous flow, which showed good results for the Michael addition of aldehydes to nitroalkenes in terms of stereoselectivity and catalyst stability with minimal consumption of reagents and solvents.
Alteration of the Conformational Dynamics of a DNA Hairpin by α‐Synuclein in the Presence of Aqueous Two‐Phase Systems
Authors: Mukherjee Sanjib K. , Knop Jim‐Marcel , Möbitz Simone , Winter Roland H. A. 
Published: May 2020

AbstractThe effect of an amyloidogenic intrinsically disordered protein, α‐synuclein, which is associated with Parkinson's disease (PD), on the conformational dynamics of a DNA hairpin (DNA‐HP) was studied by employing the single‐molecule Förster resonance energy transfer method. The open‐to‐closed conformational equilibrium of the DNA‐HP is drastically affected by binding of monomeric α‐synuclein to the loop region of the DNA‐HP. Formation of a protein‐bound intermediate conformation is fostered in the presence of an aqueous two‐phase system mimicking intracellular liquid‐liquid phase separation. Using pressure modulation, additional mechanistic information about the binding complex could be retrieved. Hence, in addition to toxic amyloid formation, α‐synuclein may alter expression profiles of disease‐modifying genes in PD. Furthermore, these findings might also have significant bearings on the understanding of the physiology of organisms thriving at high pressures in the deep sea.
Hybrid Semi‐parametric Modeling in Separation Processes: A Review
Authors: McBride Kevin , Sanchez Medina Edgar Ivan , Sundmacher Kai 
Published: May 2020

AbstractSeparations of mixtures play a critical role in chemical industries. Over the last century, the knowledge in the area of chemical thermodynamics and modeling of separation processes has been substantially expanded. Since the models are still not completely accurate, hybrid models can be used as an alternative that allows to retain existing knowledge and augment it using data. This paper explores some of the weaknesses in the current knowledge in separations design, simulation, optimization, and operation, and presents many examples where data‐driven and hybrid models have been used to facilitate these tasks.
Separation Units 4.0 – Trenntechnik in der chemischen Industrie auf dem Weg in die digitale Zukunft. Eindrücke und erste Ergebnisse vom Tutzing‐Symposion 2019
Authors: Bart Hans‐Jörg , Grünewald Marcus , Repke Jens‐Uwe , Scholl Stephan 
Published: May 2020

AbstractIm Oktober 2019 trafen sich Vertreter aus Akademia und Industrie auf Einladung der ProcessNet‐Fachgemeinschaft „Fluiddynamik und Trenntechnik” zur Statusbestimmung und Weiterentwicklung des Fachgebiets. Dabei lag der Fokus dezidiert auf dem einzelnen Trennapparat und der fluidverfahrenstechnischen Trennoperation selbst. In fünf Themenclustern mit jeweils mehreren Workshops wurden künftige Entwicklungen und sich stellende Trennaufgaben, Chancen, Herausforderungen und Potenziale der fluiden Trenntechnik identifiziert sowie intensiv diskutiert. Darüber hinaus wurden mögliche und notwendige Vernetzungen und Kooperationen mit anderen Branchen und Wissensdisziplinen erörtert, welche die Basis für weiterführende Konzeptentwicklungen und für die Ableitung notwendiger Aktivitäten sind.
Identification of risk factors for central nervous system metastasis in patients with breast cancer with neurologic symptoms
Authors: Cacho‐Díaz Bernardo , Salmerón‐Moreno Karen , Alvarez‐Alvarez Alejandra , Mendoza‐Olivas Laura Georgina , Alvarado‐Miranda Alberto , Villarreal‐Garza Cynthia , Reynoso‐Noverón Nancy , Chávez‐MacGregor Mariana , Meneses‐García Antelmo Abelardo 
Published: May 2020

BackgroundThe current study was performed to identify factors that are present at the time of breast cancer (BC) diagnosis that are associated with a higher rate of central nervous system metastasis (CNSm).MethodsThe authors analyzed a database of patients with a confirmed diagnosis of BC who were referred for a neuro‐oncology consultation at the National Cancer Institute in Mexico City, Mexico, from June 2009 to June 2017. Information was collected prospectively and included demographic, pathologic, and clinical data at the time of diagnosis of BC. Bivariate and multivariate logistic regression models were built to estimate the associations between the development of CNSm and the time after BC diagnosis.ResultsAmong 970 patients with BC, 263 (27%) were diagnosed with CNSm. The median time from BC diagnosis to the development of CNSm was 33 months (interquartile range, 15‐76 months). After multivariate analysis, age <50 years at the time of BC diagnosis (odds ratio [OR], 2.5; 95% confidence interval [95% CI], 1.8‐3.5 [P < .0001]), human epidermal growth factor receptor 2 (HER2)–positive status (HER2+) (OR, 3.6; 95% CI, 2.1‐6.1 [P < .0001]), luminal B/HER2+ subtype (OR, 3.1; 95% CI, 1.9‐5.3 [P < .001]), triple‐negative subtype(OR, 2.4; 95% CI, 1.5‐4 [P = .001]), and Karnofsky performance status ≤70 (OR, 6.6; 95% CI, 4.5‐9.6 [P < .0001]) were associated with a higher frequency of CNSm. Brain parenchyma was the most common site of CNSm. The median overall survival after a diagnosis of CNSm was 12.2 months (95% CI, 9.3‐15.1 months).ConclusionsCNSm is not uncommon among patients with BC, particularly in those with neurologic symptoms who require neuro‐oncology evaluation and are aged <50 years at the time of diagnosis, have HER2+ or triple‐negative subtypes, have a poor Karnofsky performance status, and/or have ≥2 non‐CNS metastases.
Identification of tumor nodule in soft tissue: An inverse finite‐element framework based on mechanical characterization
Authors: Candito Antonio , Palacio‐Torralba Javier , Jiménez‐Aguilar Elizabeth , Good Daniel W. , McNeill Alan , Reuben Robert L. , Chen Yuhang 
Published: May 2020

AbstractIdentification and characterization of nodules in soft tissue, including their size, shape, and location, provide a basis for tumor identification. This study proposes an inverse finite‐element (FE) based computational framework, for characterizing the size of examined tissue sample and detecting the presence of embedded tumor nodules using instrumented palpation, without a priori anatomical knowledge. The inverse analysis was applied to a model system, the human prostate, and was based on the reaction forces which can be obtained by trans‐rectal mechanical probing and those from an equivalent FE model, which was optimized iteratively, by minimizing an error function between the two cases, toward the target solution. The tumor nodule can be identified through its influence on the stress state of the prostate. The effectiveness of the proposed method was further verified using a realistic prostate model reconstructed from magnetic resonance (MR) images. The results show the proposed framework to be capable of characterizing the key geometrical indices of the prostate and identifying the presence of cancerous nodules. Therefore, it has potential, when combined with instrumented palpation, for primary diagnosis of prostate cancer, and, potentially, solid tumors in other types of soft tissue.
CIELAB color space boundaries under theoretical spectra and 99 test color samples
Authors: Durmus Dorukalp 
Published: May 2020

AbstractA color space is a three‐dimensional representation of all the possible color percepts. The CIE 1976 L*a*b* is one of the most widely used object color spaces. In CIELAB, lightness L* is limited between 0 and 100, while a* and b* coordinates have no fixed boundaries. The outer boundaries of CIELAB have been previously calculated using theoretical object spectral reflectance functions and the CIE 1931 and 1964 observers under the CIE standard illuminants D50 and D65. However, natural and manufactured objects reflect light smoothly as opposed to theoretical spectral reflectance functions. Here, data generated from a linear optimization method are analyzed to re‐evaluate the outer boundaries of the CIELAB. The color appearance of 99 test color samples under theoretical test spectra has been calculated in the CIELAB using CIE 1931 standard observer. The lightness L* boundary ranged between 6 and 97, redness‐greenness a* boundary ranged between −199 and 270, and yellowness‐blueness b* boundary ranged between −74 and 161. The boundary in the direction of positive b* (yellowness) was close to the previous findings. While the positive a* (redness) boundary exceeded previously known limits, the negative a* (greenness) and b* (blueness) boundaries were lower than the previously calculated CIELAB boundaries. The boundaries found here are dependent on the color samples used here and the spectral shape of the test light sources. Irregular spectral shapes and more saturated color samples can result in extended boundaries at the expense of computational time and power.
Self‐Aggregation‐Controlled Rapid Chemical Bath Deposition of SnO2 Layers and Stable Dark Depolarization Process for Highly Efficient Planar Perovskite Solar Cells
Authors: Ko Yohan , Kim Youbin , Lee Chanyong , Kim Taemin , Kim Seungkyu , Yun Yong Ju , Gwon Hui‐jeong , Lee Nam‐Ho , Jun Yongseok 
Published: May 2020

AbstractPlanar perovskite solar cells (PSCs) incorporating n‐type SnO2 have attracted significant interest because of their excellent photovoltaic performance. However, the film fabrication of SnO2 is limited by self‐aggregation and inhomogeneous growth of the intermediate phase, which produces poor morphology and properties. In this study, a self‐controlled SnO2 layer is fabricated directly on a fluorine‐doped tin oxide (FTO) surface through simple and rapid chemical bath deposition. The PSCs based on this hydrolyzed SnO2 layer exhibit an excellent power conversion efficiency of 20.21 % with negligible hysteresis. Analysis of the electrochemical impedance spectroscopy on the charge transport dynamics indicates that the bias voltage influences both interfacial charge transportation and the ionic double layer under illumination. The hydrolyzed SnO2‐based PSCs demonstrate a faster ionic charge response time of 2.5 ms in comparison with 100.5 ms for the hydrolyzed TiO2‐based hysteretic PSCs. The results of quasi‐steady‐state carrier transportation indicate that a dynamic hysteresis in the J–V curves can be explained by complex ionic‐electronic kinetics owing to the slow ionic charge redistribution and hole accumulation caused by electrode polarization, which causes an increase in charge recombination. This study reveals that SnO2‐based PSCs lead to a stabilized dark depolarization process compared with TiO2‐based PSCs, which is relevant to the charge transport dynamics in the high‐performing planar SnO2‐based PSCs.
Salivary gland fine‐needle aspiration cytology with the application of the Milan system for risk stratification and histological correlation: A retrospective 6‐year study
Authors: Rivera Rolon Maria , Schnadig Vicki J. , Faiz Sara , Nawgiri Ranjana , Clement Cecilia G. 
Published: May 2020

AbstractBackgroundThe Milan System for Reporting Salivary Gland Cytopathology (MSRSGC) is based on risk stratification. We presented our experience with fine‐needle aspiration cytology (FNAC) for the diagnosis of salivary glands lesions by applying the MSRSGC categorization to the cytological diagnoses, and determined risk of malignancy (ROM) for each category.MethodsFine‐needle aspiration cytology of salivary gland lesions performed over a 6‐year period was retrieved. FNAC results were retrospectively categorized according to the MSRSGC criteria, and correlated with corresponding histologic follow‐up. ROM for each diagnostic category was calculated.ResultsA total of 208 FNAC of salivary gland lesions were reviewed and retrospectively categorized as: non‐diagnostic (ND) 23 (11%), non‐neoplastic (NN) 54 (26%), atypia of undetermined significance (AUS) 10 (4.8%), benign neoplasms (BN) 77 (37%), salivary gland of uncertain malignant potential (SUMP) 13 (6.3%), suspicious for malignancy (SM) 7 (3.4%), and malignant (M) 24 (11.5%). Histopathological follow‐up was available for 84 of 208 cases (40.4%). Overall concordance rate between FNAC and histology was 78.8%. Sensitivity, specificity, positive predictive value, and negative predictive value were calculated as 93.3%, 94.6%, 82.4%, and 98.2%, respectively. Diagnostic accuracy to distinguish benign from malignant disease was 94.4%. ROM for each category was ND 0%, NN 0%, AUS 75%, BN 2.2%, SUMP 28.6%, SM 50%, and M 100%.ConclusionFine‐needle aspiration cytology continues to be an accurate diagnostic tool for most salivary gland neoplasms showing classical morphologic features. However, difficult cases with unusual or overlapping features will occur. In these situations, the use of MSRSGC risk‐stratification could be helpful to define appropriate management.
Diagnostic and prognostic values of the QRS‐T angle in patients with suspected acute decompensated heart failure
Authors: Sweda Romy , Sabti Zaid , Strebel Ivo , Kozhuharov Nikola , Wussler Desiree , Shrestha Samyut , Flores Dayana , Badertscher Patrick , Lopez‐Ayala Pedro , Zimmermann Tobias , Michou Eleni , Gualandro Danielle M. , Häberlin Andreas , Tanner Hildegard , Keller Dagmar I. , Nowak Albina , Pfister Otmar , Breidthardt Tobias , Mueller Christian , Reichlin Tobias 
Published: May 2020

AbstractAimsThe aim of this study was to investigate the diagnostic and prognostic utility of the QRS‐T angle, an electrocardiogram (ECG) marker quantifying depolarization–repolarization heterogeneity, in patients with suspected acute decompensated heart failure (ADHF).Methods and resultsWe prospectively enrolled unselected patients presenting to the emergency department with symptoms suggestive of ADHF. The QRS‐T angle was automatically derived from a standard 12‐lead ECG recorded at presentation. The primary diagnostic endpoint was a final adjudicated diagnosis of ADHF. The primary prognostic endpoint was all‐cause mortality during 2 years of follow‐up. Among the 1915 patients enrolled, those with higher QRS‐T angles were older, were more commonly male, and had a higher rate of co‐morbidities such as arterial hypertension, coronary artery disease, or chronic kidney disease. ADHF was the final adjudicated diagnosis in 1140 (60%) patients. The QRS‐T angle in patients with ADHF was significantly larger than in patients with non‐cardiac causes of dyspnoea {median 110° [inter‐quartile range (IQR) 46–156°] vs. median 33° [IQR 15–57°], P < 0.001}. The diagnostic accuracy of the QRS‐T angle as quantified by the area under the receiver operating characteristic curve (AUC) was 0.75 [95% confidence interval (CI) 0.73–0.77, P < 0.001], which was inferior to N‐terminal pro‐B‐type natriuretic peptide (AUC 0.93, 95% CI 0.92–0.94, P < 0.001), but similar to that of high‐sensitivity troponin T (AUC 0.78, 95% CI 0.76–0.80, P = 0.09). The AUC of the QRS‐T angle for discrimination between ADHF and non‐cardiac dyspnoea remained similarly high in subgroups of patients known to be diagnostically challenging, including patients older than 75 years [0.71 (95% CI 0.67–0.74)], renal failure [0.79 (95% CI 0.71–0.87)], and atrial fibrillation at presentation [0.68 (95% CI 0.60–0.76)]. Mortality rates according to QRS‐T angle tertiles were 4%, 6%, and 10% after 30 days (P < 0.001) and 24%, 31%, and 43% after 2 years (P < 0.001). After adjustment for clinical, laboratory, and ECG parameters, the QRS‐T angle remained an independent predictor for 2 year mortality with a 4% increase in mortality for every 20° increase in QRS‐T angle (P = 0.02).ConclusionsThe QRS‐T angle is a readily available and inexpensive marker that can assist in the discrimination between ADHF and non‐cardiac causes of acute dyspnoea and may aid in the risk stratification of these patients.
Robust generation expansion planning considering high penetration renewable energies uncertainty
Authors: Abdalla Omar H. , Abu Adma Maged A. , Ahmed Abdelmonem S. 
Published: May 2020

AbstractThe proper optimal generation expansion planning (GEP) should meet the reliability criteria requirements over a planning horizon under the presence of uncertainties. The intermittent nature of renewable energy sources (RES) introduces an enormous uncertainties impact within the planning model. A simulation model for RES uncertainty is developed using the capacity factor (CF) of the RES historical data. The RES simulation model is handled via the probability density function (PDF). The uncertainty parameter of different RES is described as a flexible polyhedral uncertainty set and incorporated within the proposed GEP model. The influence of different uncertainty scenarios for each RES uncertainty on the GEP model can be analyzed separately. The RES uncertainty scenarios are predefined and incorporated within the proposed GEP model through a proposed parameter named as a confidence level. The proposed confidence level parameter is beneficial to the power system planner to control the degree of robustness. Different GEP results are presented for various RES uncertainty scenarios. Three methods are proposed as appropriate solutions to deal with the RES uncertainty impact. The most economical method among the three proposed methods is determined by developing an objective function tailored to achieve the optimality of the economic factor.
Biodiesel and biolubricant production from different vegetable oils through transesterification
Authors: Encinar José María , Nogales Sergio , González Juan Félix 
Published: May 2020

AbstractA study about the production and characterization of biodiesel and, especially, biolubricants from different raw materials (ie, rapeseed, a mixture of corn and sunflower, and frying oils) is here performed. Optimal chemical conditions were used to carry out the transesterification of biodiesel and biolubricants, hence obtaining high yields in all investigated cases. The physical properties, such as fatty acid methyl ester profile, viscosity, viscosity index and oxidative stability, among others, are analyzed. The biodiesel products comply with the standards, according to the characteristics covered in this research. Regarding the biolubricants, the viscosity values are analogous to those found in the literature but showing longer induction points. These properties appear to be highly influenced by the fatty acid profile of the raw material, which is an important factor for both biodiesel and biolubricant performance. Therefore, the initial characterization of vegetable oils is an important stage for the optimal design of biorefineries. Finally, the use of transesterification for biodiesel and biolubricant production is also justified, as many valuable products (eg, glycerol, fatty acid methyl esters, and fatty acid complex esters) are obtained and some by‐products (eg, methanol) can be reused.
A safe mining approach for deep outburst coal seam groups with hard‐thick sandstone roof: Stepwise risk control based on gas diversion and extraction
Authors: Liu Tong , Lin Baiquan , Xiao Wu , Liu Ting , Yang Wei , Wang Zheng , Zhang Ruigao 
Published: May 2020

AbstractProtective seam mining is the preferred method for gas control and safe mining in high‐outburst coal seam groups. However, a hard‐thick sandstone roof (HTSR) triggers new gas problems when it covers directly above the first‐mined protective coal seam. To solve these problems, a typical case study in No. 12 Coal Mine was conducted. The simulation results indicate that the HTSR greatly prevents the plastic deformation of the upper roof formations without affecting the expansive deformation in the underlying protected seams. The pressure‐relief gas in protected seams will flow into the protective seam without continuing to migrate to roof strata, thereby turning the protective seam into a new high‐risk area. Therefore, roof presplitting (RPS) technology was proposed to effectively break the HTSR, create roof fracture passages, and divert the gob gas of the protective seam upward. Meanwhile, gob‐side entry construction (GSEC) was conducted to enhance gas discharge in the protective seam by adopting rapid filling, roof cutting, and active supporting technologies. Through the upper protective seam mining, RPS, and GSEC, gas migration passages were constructed step‐by‐step to divert the gas from high‐risk areas to low‐risk areas. As a key first step, gas diversion not only optimized the distribution of gas sources but also significantly reduced gas hazards. Source‐by‐source extraction was then performed to effectively control the high‐concentration gas in the newly formed gas source, further eliminating the mining risk. By applying the stepwise risk control method combined with gas diversion and extraction, the safe production was successfully achieved with excellent outburst prevention effects, and the gas extraction rate was significantly improved to more than 66%. This practice could be used for deep high‐gassy or high‐outburst coal seam group mining.