bluuebunny/crossref_metadata_2025_split huggingface dataset:
Suppressed Deep Traps and Bandgap Fluctuations in Cu2CdSnS4 Solar Cells with ≈8% Efficiency
Authors: Hadke Shreyash , Levcenko Sergiu , Sai Gautam Gopalakrishnan , Hages Charles J. , Márquez José A. , Izquierdo‐Roca Victor , Carter Emily A. , Unold Thomas , Wong Lydia H. 
Published: October 2019

AbstractThe identification of performance‐limiting factors is a crucial step in the development of solar cell technologies. Cu2ZnSn(S,Se)4‐based solar cells have shown promising power conversion efficiencies in recent years, but their performance remains inferior compared to other thin‐film solar cells. Moreover, the fundamental material characteristics that contribute to this inferior performance are unclear. In this paper, the performance‐limiting role of deep‐trap‐level‐inducing 2CuZn+SnZn defect clusters is revealed by comparing the defect formation energies and optoelectronic characteristics of Cu2ZnSnS4 and Cu2CdSnS4. It is shown that these deleterious defect clusters can be suppressed by substituting Zn with Cd in a Cu‐poor compositional region. The substitution of Zn with Cd also significantly reduces the bandgap fluctuations, despite the similarity in the formation energy of the CuZn+ZnCu and CuCd+CdCu antisites. Detailed investigation of the Cu2CdSnS4 series with varying Cu/[Cd+Sn] ratios highlights the importance of Cu‐poor composition, presumably via the presence of VCu, in improving the optoelectronic properties of the cation‐substituted absorber. Finally, a 7.96% efficient Cu2CdSnS4 solar cell is demonstrated, which shows the highest efficiency among fully cation‐substituted absorbers based on Cu2ZnSnS4.
Model‐based equipment design for the biphasic production of 5‐hydroxymethylfurfural in a tubular reactor
Authors: Aigner Maximilian , Roth Daniel , Rußkamp Julia , Klankermayer Jürgen , Jupke Andreas 
Published: October 2019

AbstractHerein, a novel concept for the acid catalyzed dehydration of fructose (FRC) to 5‐hydroxymethylfurfural (5‐HMF) in a biphasic tubular reactor is presented. Reaction kinetic models were developed based on experiments performed in a newly developed lab‐scale autoclave that enables a decoupled investigation of single‐phase reaction and 5‐HMF mass transfer. Our reaction kinetic models allow an accurate description of the biphasic reaction. Subsequently, we integrate the reaction kinetic models in the model‐based design of a tailored reactor unit. This reactor unit employs the concept of in‐situ extraction in a countercurrent flow of a monodisperse droplet swarm within a continuous aqueous phase. From reactor calculations, we obtain a maximum 5‐HMF yield of 76% at full FRC conversion. Countercurrent in‐situ extraction enables over 99% 5‐HMF recovery in the organic phase.
Abundance, distribution and diet of the common dolphin,Delphinus delphis, in the northern Aegean Sea (Greece)
Authors: Milani Cristina , Vella Adriana , Vidoris Pavlos , Christidis Aristidis , Koutrakis Emmanouil 
Published: October 2019

AbstractThe abundance, distribution and diet of the short‐beaked common dolphin were investigated as part of the first detailed study on cetacean populations in the North Aegean Sea. Since 2004, the area has been proposed by national and international entities as a marine protected area for common dolphins and other cetacean species owing to its high biodiversity.Abundance and distribution were investigated between 2005 and 2013 through dedicated scientific marine transect surveys, covering 14,701 km, in sea conditions of Beaufort sea state 3 and below. The line‐transect sampling method was used to estimate relative abundance, using Distance 6.0 software. Encounter rate for this species in the study area was estimated to be 0.24 groups/100 km (1.5 dolphins/100 km), with a mean group size of 6.88 (SE = 1.90).Common dolphin sightings were analysed for correlations with eight environmental variables (distance from the coast, depth, slope, median salinity, gradient of salinity, median temperature, gradient of temperature and mean current) using generalized additive modelling. Common dolphin sightings were significantly correlated to depth, temperature and salinity.Stomach‐content analyses were performed on eight suitable samples from common dolphins stranded in the study area. The trophic level of the species was calculated, indicating that this species is a top predator.This research provides the first estimates for abundance and distribution and the first diet analysis for this Mediterranean Endangered dolphin species in the study area based on a year‐round long‐term study.
Role of Emissive and Non‐Emissive Complex Formations in Photoinduced Electron Transfer Reaction of CdTe Quantum Dots
Authors: Bharadwaj Kiran , Choudhary Himanshu , Hazra Soumitra , Ghosh Subhadip 
Published: October 2019

AbstractBimolecular photoinduced electron transfer (PET) from excited state CdTe quantum dot (QD*) to an electron deficient molecule 2,4‐dinitrotoluene (DNT) is studied in toluene. We observed two types of QD‐DNT complex formations; (i) non‐emissive complex, in which DNT is embedded deep inside the surface polymer layer of QD and (ii) emissive complex, in which DNT molecules are attached to QDs but approach to the QD core is shielded by polymer layer. Because of its non‐emissive nature, the lifetime of QD is not affected by dark complex formation, though the steady‐state emission is greatly quenched. However, emissive complex formation causes both, lifetime and steady‐state emission quenching. In our fitting model, consideration of Poisson distribution of the attached quencher (DNT) molecules at QD surface enables a comprehensive fitting to our time resolved data. QD‐DNT complex formation was confirmed by an isothermal titration calorimetry (ITC) study. Fitting to the time resolved data using a stochastic kinetic model shows moderate increase (0.05 ns−1 to 0.072 ns−1) of intrinsic quenching rate with increasing the QD particle size (from ≈3.2 nm to ≈5.2 nm). Our fitting also reveals that the number of DNT molecules attached to a single QD increases from ≈0.1–0.2 to ≈1.2–1.7, as the DNT concentration is increased from ≈1 mm to 17.5 mm. Complex formation at higher quencher concentration assures that the observed PET kinetics is a thermodynamically controlled process where solvent diffusion has no role on it.
Targeted RNA‐sequencing assays: a step forward compared to FISH and IHC techniques?
Authors: Tachon Gaëlle , Cortes Ulrich , Richard Sophie , Martin Sébastien , Milin Serge , Evrard Camille , Lamour Corinne , Karayan‐Tapon Lucie 
Published: October 2019

AbstractIntroductionALK and ROS1 rearrangements are molecular targets of several tyrosine kinase inhibitors. RNA‐sequencing approaches are regarded as the new standard for fusion gene detection, representing an alternative to standard immunohistochemistry (IHC) and fluorescence in situ hybridization (FISH) techniques.Patients and MethodsWe aimed to compare two recent amplicon‐based RNA‐sequencing techniques: FusionPlex® Alk Ret Ros1 v2 Kit (Archer®) with FHS‐003Z‐12—Human Lung Cancer Panel (Qiagen®) and assessed the accuracy of the data for therapy management. Thirty‐seven formalin‐fixed paraffin‐embedded non‐small cell carcinoma (NSCC) lesions initially explored by IHC and FISH were selected for RNA‐sequencing analysis.ResultsQiagen® and Archer® kits produced similar results and correctly identified 85.1% (23/27) and 81.5% (22/27) of IHC/FISH ALK‐ and ROS1‐positive samples, respectively, and 100% (6/6) of the negative samples. With regard to the ambiguous IHC‐positive/FISH‐negative cases, RNA‐sequencing confirmed 75% (3/4) of the FISH conclusion. Although not statistically significant, patients with common EML4‐ALK variants presented shorter overall survival and progression‐free survival compared with patients harboring rare variants.ConclusionOur findings assessed the implementation of RNA‐sequencing approaches to explore ALK and ROS1 rearrangements from formalin‐fixed paraffin‐embedded samples. We highlighted the similarities between Qiagen® and Archer® kits in terms of handling time, cost, and outcomes. We confirmed the feasibility of molecular testing in routine organization and its possible use not only as an alternative for standard IHC and FISH techniques, but as a supplementary technique helping to classify discrepant cases.
Work and income changes after cancer in rural China: A cross‐sectional survey
Authors: Su Mingzhu , Zhang Nan , Cai Yuanchu , Wang Jialin , Anderson Roger , Yao Nengliang , Sun Xiaojie 
Published: October 2019

AbstractBackgroundThe present study aimed to first describe the work‐related outcomes of cancer survivors and to then identify those characteristics that influenced the decision to stop working in rural China.MethodsWe assessed 752 cancer survivors (residents of rural areas, working at the time of diagnosis, >1 year since completing treatment) from the cross‐sectional study “China Survey of Experiences with Cancer”. Participants reported changes in employment status, income, and the ability to perform physical jobs due to cancer, as well as the work‐related outcomes of their informal caregivers. Logistic regression analyses were used to examine the association between sociodemographic characteristics, cancer characteristics, and changes in work (ie, continue to work vs not working).ResultsThe participants were largely farmers (96%), women (56%), younger than 65 years old (69%), and diagnosed with colorectal (31%) and breast cancer (31%). Thirty‐nine percent reported reducing working hours, and 40% reported stopping work altogether. Approximately 7% of informal caregivers also stopped working in order to take care of those diagnosed with cancer. Thirty‐three percent of cancer survivors and 5% of their informal caregivers had no source of income following treatment. Controlling for other variables, lower educational attainment, physical limitations in work, and different cancer sites were significantly associated with ending employment in both men and women, while among men specifically, we observed that older age, being unmarried, and being diagnosed at later stages were significantly associated with an end to working.ConclusionRural cancer survivors are at a high risk for stopping work after completing treatment, and many survivors and their caregivers experience poor work‐related outcomes and economic hardship. These results highlight the importance of paying attention to the work experiences of cancer survivors in rural China.
Experimental Investigation of Particle Circulation in an Internally Circulating Clapboard‐Type Fluidized Bed
Authors: Jiang Guodong , Wei Liping , Chen Zhiwen , Peng Liuchang , He Nan , Wu Changsong 
Published: October 2019

AbstractThe particle circulation rate of the clapboard‐type internal circulating fluidized bed (ICFB) is investigated with the particle tracing method. For quantitative determination, the capacitance probe and the differential pressure sensor are used to measure the voidages in the high and low gas velocity regime. The mechanism governing the solid circulation in the ICFB is the competition between driven force, caused by pressure drop across the gap, and the resistance force of particle flow, derived by the flow friction in the wall surface and clapboard, the partial resistance loss of clearance, and the gas bypassing formed from the high to the low gas velocity regime. A modified La Nauze model helped to predict and to calculate the particle circulation rate without giving data of pressure drops.
Assessing the Effects of Substrate Disintegration on Methane Yield
Authors: Hofmann Josephine , Müller Liane , Weinrich Sören , Debeer Lies , Schumacher Britt , Velghe Filip , Liebetrau Jan 
Published: October 2019

AbstractData obtained from seven lab‐scale experiments were used to compare different methods for describing effects of substrate disintegration on methane yield. Statistical evaluation underlines the importance of careful design and precise conduction of experiments. Within continuous experiments conducted as duplicates, an effect 5.65 times (triplicates: 3.07 times) the standard deviation between identically operated digesters can be considered significant. Some tests show significant impacts; however, the results between different test approaches, namely, batch, continuous digestion (measured), and continuous digestion (modeled from batch tests), are inconsistent. This inconsistency hints at a limited transferability from batch results to continuous operation in general and for the effect of disintegration in particular.
Diffusion Characteristics in Ethyl Alcohol and Glucose Solutions Using Kedem‐Katchalsky Equations
Authors: Jarzyńska Maria , Staryga Elżbieta , Kluza Franciszek , Spiess Walter E. L. , Góral Dariusz 
Published: October 2019

AbstractFormulas for calculating the viscosity and diffusion coefficients for two‐component aqueous non‐electrolyte solutions as a function of the solution concentration under isothermal conditions were derived. The dependence of diffusion coefficient, filtration coefficient, and dynamic viscosity coefficient for these solutions on the solution concentration was estimated and evaluated. Based on the obtained formulas, the results of diffusion coefficient, membrane filtration coefficient, and dynamic viscosity calculations for aqueous solutions of ethanol and glucose are presented and compared with literature data.
On the Mechanism of the Asymmetric Aldol Addition of Chiral N‐Amino Cyclic Carbamate Hydrazones: Evidence of Non‐Curtin–Hammett Behavior
Authors: Uddin Md. Nasir , Knight John D. , Rastelli Ettore J. , Soubra‐Ghaoui Chirine , Albright Thomas A. , Wu Chia‐Hua , Wu Judy I. , Coltart Don M. 
Published: October 2019

Abstracthe mechanistic details of the aldol addition of N‐amino cyclic carbamate (ACC) hydrazones is provided herein from both an experimental and computational perspective. When the transformation is carried out at room temperature the anti‐aldol product is formed exclusively. Under these conditions the anti‐ and syn‐aldolate intermediates are in equilibrium and the transformation is under thermodynamic control. The anti‐aldolate that leads to the anti‐aldol product was calculated to be 3.7 kcal mol−1 lower in energy at room temperature than that leading to the syn‐aldol product, which sufficiently accounts for the exclusive formation of the anti‐aldol product. When the reaction is conducted at −78 °C it is under kinetic control and favors formation of the syn‐aldol addition product. In this case, it was found that a solvent separated aza‐enolate anion and aldehyde form a σ‐intermediate in which the lithium cation is coordinated to the aldehyde. The σ‐intermediate collapses with a very small activation barrier to form the β‐alkoxy hydrazone intermediate. The chiral nonracemic lithium aza‐enolate discriminates between the two diastereotopic faces of the pro‐chiral aldehyde, and there is no rapid direct pathway that interconverts the two diastereomeric intermediates. Consequently, the reaction does not follow the Curtin–Hammett principle and the stereochemical outcome at low temperature instead depends on the relative energies of the two σ‐intermediates.
Recent Progress in Precious Metal‐Free Carbon‐Based Materials towards the Oxygen Reduction Reaction: Activity, Stability, and Anti‐Poisoning
Authors: Zhang Ling , Li Li , Chen Hongmei , Wei Zidong 
Published: October 2019

AbstractThe large‐scale application of polymer electrolyte membrane fuel cells (PEMFCs) depends heavily on the development of high‐performance and cost‐effective oxygen reduction reaction (ORR) electrocatalysts to replace the traditional Pt‐based materials. Among the numerous candidates of ORR electrocatalysts, precious metal‐free carbon‐based materials have received ever‐increasing attention for their unique electronic features, tunable nanostructures, and robustness. Although tremendous efforts have been devoted to raising the intrinsic properties of precious metal‐free carbon‐based materials, there exists a lot of room for them to be improved in activity, stability, and poison‐tolerance. In this Minireview, the latest strategies for enhancing activity by increasing the accessible active sites and promoting the intrinsic activity have been summarized. In addition, with special emphasis on devastating catalyst poisoning, up‐to‐data tactics for elevating the stability and poison‐tolerance are introduced. Finally, conclusions and perspectives are also presented.
Adherence and Population Pharmacokinetic Properties of Amodiaquine When Used for Seasonal Malaria Chemoprevention in African Children
Authors: Ding Junjie , Coldiron Matthew E. , Assao Bachir , Guindo Ousmane , Blessborn Daniel , Winterberg Markus , Grais Rebecca F. , Koscalova Alena , Langendorf Celine , Tarning Joel 
Published: October 2019

Poor adherence to seasonal malaria chemoprevention (SMC) might affect the protective effectiveness of SMC. Here, we evaluated the population pharmacokinetic properties of amodiaquine and its active metabolite, desethylamodiaquine, in children receiving SMC under directly observed ideal conditions (n = 136), and the adherence of SMC at an implementation phase in children participating in a case‐control study to evaluate SMC effectiveness (n = 869). Amodiaquine and desethylamodiaquine concentration‐time profiles were described simultaneously by two‐compartment and three‐compartment disposition models, respectively. The developed methodology to evaluate adherence showed a sensitivity of 65–71% when the first dose of SMC was directly observed and 71–73% when no doses were observed in a routine programmatic setting. Adherence simulations and measured desethylamodiaquine concentrations in the case‐control children showed complete adherence (all doses taken) in < 20% of children. This result suggests that more efforts are needed urgently to improve the adherence to SMC among children in this area.
Application of Molecular Electrostatic Potential Surface to Predict Supramolecular Synthons for RDX/Solvent Cocrystals
Authors: Wang Kun , Zhao Xiao , Zhu Weihua 
Published: October 2019

AbstractCocrystallization has attracted growing interests in the energetic field as it can tune properties by selecting and arranging existing molecules. Herein, the application of molecular electrostatic potential surface to predict supramolecular synthons for 1,3,5‐trinitro‐1,3,5‐triazinane (RDX)/solvent cocrystals is demonstrated. Six RDX/solvent supramolecular synthons are constructed and investigated by density functional theory. The results of Bader's atoms in molecules (AIM) and independent gradient model (IGM) indicate that unconventional CH···O type hydrogen bonds are the main intermolecular interactions between RDX and solvents. The thermodynamic properties are studied to assess the spontaneity of assembly reactions. The most stable packings for the supramolecular synthons of the RDX/solvents are predicted and they present lower sensitivity than RDX. The work may provide valuable insight for the rational design of RDX‐based cocrystals and promote the application of supramolecular chemistry in the field of explosives.
Continuous flow electrophoretic separation — Recent developments and applications to biological sample analysis
Authors: Stastna Miroslava 
Published: October 2019

AbstractContinuous flow electrophoretic separation with continuous sample loading provides the advantage of processing volumes of any sizes, as well as the benefit of a real‐time monitoring and optimization of the separation process. In addition, the spatial separation of the sample enables collecting multiple separated components simultaneously and in a continuous manner. The separation is usually performed in mild buffers without organic solvents and detergents (sample biological activity is retained) and it is carried out without usage of a solid support in the separation space preventing the interaction of the sample with it (high sample recovery). The method is used for the separation of proteins/peptides in proteomic applications, and its great applicability is to the separation of the cells, cellular organelles, vesicles, membrane fragments, and DNA. This review focuses on the electrophoretic separation performed in a continuous flow and it describes various electrophoretic modes and instrumental setups. Recent developments in methodology and instrumentation, the integration with other techniques, and the application to the biological sample analysis are discussed as well.
In‐situ stress determination and fracture characterization using image logs: The Paleogene Dongying Formation in Nanpu Sag, Bohai Bay Basin, China
Authors: Niu Huapeng , Liu Shichen , Lai Jin , Wang Guiwen , Liu Bingchang , Xie Yuqiang , Xie Weibiao 
Published: October 2019

AbstractFracture detection and in‐situ stress determination via well logs are important for exploration and exploitation of subsurface hydrocarbons. Cores, thin sections, and image logs are used to describe and interpret the subsurface fractures and in‐situ stress in the Paleogene Dongying sandstones in Nanpu Sag, Bohai Bay Basin, China. The maximum horizontal stress (SHmax) indicates a nearly east‐west trend according to the borehole breakouts and drilling‐induced fractures. Natural fractures in the Dongying sandstones are classified into: (1) open fractures and (2) closed fractures. The cement‐filled (closed) fractures are commonly detected by image logs as bright discontinuous sinusoidal waves due to resistive filling materials, while the open fractures are evident on image logs appearing as dark sine waves. The open fractures are of dominantly high dip angles, and the rose diagrams confirm the presences of two sets of fractures: northwest‐southeast and northwest‐southeast orientation. Fractures with strikes approximately parallel to the SHmax have good connectedness, making a significant contribution in hydrocarbon production. In addition, the oil‐bearing layers are mainly associated with the intervals with open fractures. The presence of natural fractures provides important pore spaces and fluid flow conduits. Insights can be provided into the subsurface fracture (natural and induced) detection and characterization using image logs.
A flexible IPv6 mobility management architecture for SDN‐based 5G mobile networks
Authors: Sajjad Muhammad Mohtasim , Jayalath Dhammika , Bernardos Carlos J. 
Published: October 2019

AbstractWith the advent of increasingly diverse services, applications, and use cases, the 5G mobility environment is expected to be highly heterogeneous. The distributed mobility management (DMM) is emerging as a promising approach for 5G, which provides decentralized handover and traffic management at the edge of the network. However, in order to meet the disparate mobility needs, the DMM process requires flexible design considerations. This paper presents a novel mobile node (MN) centered, software‐defined networking (SDN)–based flexible mobility management architecture, named adaptive multimode mobility management (A3M), which can adaptively operate in multiple modes. The proposed A3M architecture incorporates a novel handover mode selection phase among the traditional handover phases during which a suitable mode of handover operation is evaluated. This makes the A3M handover process adaptable to the varying mobility requirements of the MN and enables it to provide differentiated handover management for MNs with different mobility profiles. The performance analysis of A3M shows that it offers optimal handover performance in terms of primary handover performance metrics such as session disruption delay, packet losses, and signaling costs, compared to the popular network‐based DMM approaches.