bluuebunny/crossref_metadata_2025_split huggingface dataset:
Liquid Metastable Precursors of Ibuprofen as Aqueous Nucleation Intermediates
Authors: Wiedenbeck Eduard , Kovermann Michael , Gebauer Denis , Cölfen Helmut 
Published: September 2019

AbstractThe nucleation mechanism of crystals of small organic molecules, postulated based on computer simulations, still lacks experimental evidence. In this study we designed an experimental approach to monitor the early stages of the crystallization of ibuprofen as a model system for small organic molecules. Ibuprofen undergoes liquid–liquid phase separation prior to nucleation. The binodal and spinodal limits of the corresponding liquid–liquid miscibility gap were analyzed and confirmed. An increase in viscosity sustains the kinetic stability of the dense liquid intermediate. Since the distances between ibuprofen molecules within the dense liquid phase are similar to those in the crystal forms, this dense liquid phase is identified as a precursor phase in the nucleation of ibuprofen, in which densification is followed by generation of structural order. This discovery may make it possible to enrich poorly soluble pharmaceuticals beyond classical solubility limitations in aqueous environments.
Nurses' Perceptions of Personal Communication Devices in the Perioperative Environment
Authors: Hemingway Maureen , Osgood Patrice 
Published: September 2019

ABSTRACTPersonal communication devices (PCDs) support reliable information sharing between clinical personnel to ease workflow processes. Perioperative leaders at a major medical center conducted a long‐term quality improvement project evaluating perioperative nurse perceptions regarding PCDs. Perioperative nurses completed two surveys and the investigators conducted an independent group t test (2‐tailed) to test for differences in RN perceptions of PCDs from initial use during a pilot study and after the nurses had used the technology for four years. The authors also used qualitative content analysis to assess the qualitative items on the survey. The RNs noted that the PCDs were particularly beneficial when contacting team members for assistance and that response times improved. Overhead pages decreased from 125 per six‐hour period to an average of less than one per six‐hour period. The perioperative nurses’ perceptions of the PCDs have improved four years after implementation.
Designing and Constructing a High‐Temperature Molecular Ferroelectric by Anion and Cation Replacement in a Simple Crown Ether Clathrate
Authors: Zhou Hai‐Tao , Wang Chang‐Feng , Liu Yao , Fan Xiao‐Wei , Yang Kang , Wei Wen‐Juan , Tang Yun‐Zhi , Tan Yu‐Hui 
Published: September 2019

AbstractMolecular ferroelectrics have displayed a promising future since they are light‐weight, flexible, environmentally friendly and easily synthesized, compared to traditional inorganic ferroelectrics. However, how to precisely design a molecular ferroelectric from a non‐ferroelectric phase transition molecular system is still a great challenge. Here we designed and constructed a molecular ferroelectric by double regulation of the anion and cation in a simple crown ether clathrate, 4, [K(18‐crown‐6)]+[PF6]−. By replacing K+ and PF6− with H3O+ and [FeCl4]− respectively, we obtained a new molecular ferroelectric [H3O(18‐crown‐6)]+[FeCl4]−, 1. Compound 1 undergoes a para‐ferroelectric phase transition near 350 K with symmetry change from P21/n to the Pmc21 space group. X‐ray single‐crystal diffraction analysis suggests that the phase transition was mainly triggered by the displacement motion of H3O+ and [FeCl4]− ions and twist motion of 18‐crown‐6 molecule. Strikingly, compound 1 shows high a Curie temperature (350 K), ultra‐strong second harmonic generation signals (nearly 8 times of KDP), remarkable dielectric switching effect and large spontaneous polarization. We believe that this research will pave the way to design and build high‐quality molecular ferroelectrics as well as their application in smart materials.
Extruded Bioreactor Perfusion Culture Supports the Chondrogenic Differentiation of Human Mesenchymal Stem/Stromal Cells in 3D Porous Poly(ɛ‐Caprolactone) Scaffolds
Authors: Silva João C. , Moura Carla S. , Borrecho Gonçalo , de Matos António P. Alves , da Silva Cláudia L. , Cabral Joaquim M. S. , Bártolo Paulo J. , Linhardt Robert J. , Ferreira Frederico Castelo 
Published: September 2019

AbstractNovel bioengineering strategies for the ex vivo fabrication of native‐like tissue‐engineered cartilage are crucial for the translation of these approaches to clinically manage highly prevalent and debilitating joint diseases. Bioreactors that provide different biophysical stimuli have been used in tissue engineering approaches aimed at enhancing the quality of the cartilage tissue generated. However, such systems are often highly complex, expensive, and not very versatile. In the current study, a novel, cost‐effective, and customizable perfusion bioreactor totally fabricated by additive manufacturing (AM) is proposed for the study of the effect of fluid flow on the chondrogenic differentiation of human bone‐marrow mesenchymal stem/stromal cells (hBMSCs) in 3D porous poly(ɛ‐caprolactone) (PCL) scaffolds. hBMSCs are first seeded and grown on PCL scaffolds and hBMSC–PCL constructs are then transferred to 3D‐extruded bioreactors for continuous perfusion culture under chondrogenic inductive conditions. Perfused constructs show similar cell metabolic activity and significantly higher sulfated glycosaminoglycan production (≈1.8‐fold) in comparison to their non‐perfused counterparts. Importantly, perfusion bioreactor culture significantly promoted the expression of chondrogenic marker genes while downregulating hypertrophy. This work highlights the potential of customizable AM platforms for the development of novel personalized repair strategies and more reliable in vitro models with a wide range of applications.
The relative contributions of visual and semantic information in the neural representation of object categories
Authors: Victoria Lindsay W. , Pyles John A. , Tarr Michael J. 
Published: September 2019

AbstractIntroductionHow do multiple sources of information interact to form mental representations of object categories? It is commonly held that object categories reflect the integration of perceptual features and semantic/knowledge‐based features. To explore the relative contributions of these two sources of information, we used functional magnetic resonance imaging (fMRI) to identify regions involved in the representation object categories with shared visual and/or semantic features.MethodsParticipants (N = 20) viewed a series of objects that varied in their degree of visual and semantic overlap in the MRI scanner. We used a blocked adaptation design to identify sensitivity to visual and semantic features in a priori visual processing regions and in a distributed network of object processing regions with an exploratory whole‐brain analysis.ResultsSomewhat surprisingly, within higher‐order visual processing regions—specifically lateral occipital cortex (LOC)—we did not obtain any difference in neural adaptation for shared visual versus semantic category membership. More broadly, both visual and semantic information affected a distributed network of independently identified category‐selective regions. Adaptation was seen a whole‐brain network of processing regions in response to visual similarity and semantic similarity; specifically, the angular gyrus (AnG) adapted to visual similarity and the dorsomedial prefrontal cortex (DMPFC) adapted to both visual and semantic similarity.ConclusionsOur findings suggest that perceptual features help organize mental categories throughout the object processing hierarchy. Most notably, visual similarity also influenced adaptation in nonvisual brain regions (i.e., AnG and DMPFC). We conclude that category‐relevant visual features are maintained in higher‐order conceptual representations and visual information plays an important role in both the acquisition and neural representation of conceptual object categories.
Protective Effect of the Traditional Chinese Patent Medicine Qing‐Xuan Granule against Bleomycin‐Induced Pulmonary Fibrosis in Mice
Authors: Liu Bei , Lü Weichao , Ge Haitao , Tang Haitao , Li Renshi , Zhang Chaofeng 
Published: September 2019

AbstractPulmonary fibrosis (PF) is a chronic obstructive pulmonary disease without effective clinical drug treatment. Qing‐Xuan Granule (QX) as a traditional Chinese patent medicine is clinically used to cure children's cough. This study was designed to investigate the effects of QX and possible molecular mechanisms for bleomycin‐induced PF. The work used Western blotting and Q‐PCR to explore the vitro and vivo mechanisms of QX treatment, while using HPLC‐TOF/MS to explore the composition of QX. QX was given daily orally for two weeks after bleomycin intratracheal instillation. The protective effects of QX on lung function, inflammation, growth factors, hydroxyproline content and deposition of extracellular matrix were investigated. QX decreased expression of Col I and α‐SMA in lung tissues by down‐regulating TGF‐β1‐Smad2/3 signaling and suppressed epithelial‐mesenchymal transition and effectively reversed abnormal mRNA levels of MMP‐1and TIMP‐1 as well as LOXL‐2 in lung tissues. HPLC‐TOF/MS indicate that six substances could be the main active components, which were reported to protect against experimental lung disease.
Effect of the Wet Outlet Geometry on the Shockwave Position in Supersonic Separators
Authors: Majidi Davood , Farhadi Fatola 
Published: September 2019

AbstractSupersonic separators (3Ss) are applied in gas separation processes. Two‐dimensional simulation is employed to investigate the effect of operational and thermophysical parameters on the shockwave position. In addition, the impact of the cyclonic part and wet outlet geometry is evaluated by proposing four cases. Increasing the length of the cyclonic part exerts positive and negative influences on the performance of the 3S and the pressure recovery coefficient, respectively. The optimum length is determined between 10 and 15 cm. To demonstrate negative effects of wasted air from the wet outlet, its flow has been increased from 3.6 to 8.1 % of the inlet flow. Improved performance of the 3S is obtained by reducing the flow disturbances around the wet outlet and moving the shockwave towards the outlet.
Dynamic Interconversion between Solomon Link and Trapezoidal Metallacycle Ensembles Accompanying Conformational Change of the Linker
Authors: Feng Hui‐Jun , Gao Wen‐Xi , Lin Yue‐Jian , Jin Guo‐Xin 
Published: September 2019

AbstractA novel template‐free Cp*Rh‐based molecular Solomon link has been established through selection of the flexible ligand L as a linker and the half‐sandwich rhodium(III) dinuclear fragment B1 as a rigid capping unit. Furthermore, we demonstrate that the self‐assembly of the Solomon link based on the flexible ligand is both solvent‐ and concentration‐dependent: the Solomon link is formed in concentrated methanolic solutions, whereas formation of a dinuclear trapezoidal rectangle is favored at low concentrations or in acetonitrile or DMF solutions. Remarkably, alteration of the solvent or concentration can promote a unique and dynamic interconversion between the two molecular species, accompanying conformational change of the ligand. The synthetic outcomes are supported by single‐crystal X‐ray diffraction analysis.
Central‐to‐Axial Chirality Conversion Approach Designed on Organocatalytic Enantioselective Povarov Cycloadditions: First Access to Configurationally Stable Indole–Quinoline Atropisomers
Authors: Bisag Giorgiana Denisa , Pecorari Daniel , Mazzanti Andrea , Bernardi Luca , Fochi Mariafrancesca , Bencivenni Giorgio , Bertuzzi Giulio , Corti Vasco 
Published: September 2019

AbstractThe first stereoselective synthesis of enantioenriched axially chiral indole–quinoline systems is presented. The strategy takes advantage of an organocatalytic enantioselective Povarov cycloaddition of 3‐alkenylindoles and N‐arylimines, followed by an oxidative central‐to‐axial chirality conversion process, allowing for access to previously unreported axially chiral indole–quinoline biaryls. The methodology is also implemented for the design and the preparation of challenging compounds exhibiting two stereogenic axes. DFT calculations shed light on the stereoselectivity of the central‐to‐axial chirality conversion, showing unconventional behavior.
Rational Localization of Metal Nanoparticles in Yolk–Shell MOFs for Enhancing Catalytic Performance in Selective Hydrogenation of Cinnamaldehyde
Authors: Zhou Awu , Dou Yibo , Zhou Jian , Li Jian‐Rong 
Published: September 2019

AbstractThe development of sustainable catalysts to simultaneously improve activity and selectivity remains a challenge. Herein, it is demonstrated that metal nanoparticles (MNPs) can be encapsulated into a yolk–shell metal–organic framework (MOF) with controllable spatial localization to optimize catalytic performance. When the MNPs are located in the void space between the shell and the core of the MOF, the resulting MNPs@MOF composites show both high catalytic activity and selectivity toward the hydrogenation of α,β‐unsaturated aldehydes. In particular, the easily recoverable and stable Ptvoid@MOF(Y) shows an exceptionally high selectivity of 98.2 % for cinnamyl alcohol at a high conversion of 97 %. The excellent performance can be attributed to easy diffusion of the reactants to access highly exposed MNPs in the MOF support, as well as the improved adsorption of the reactant and desorption of the product due to the appropriate metal–support interaction and rich void space between core and shell.
Habitat‐dependent occupancy and movement in a migrant songbird highlights the importance of mangroves and forested lagoons in Panama and Colombia
Authors: Bulluck Lesley , Ames Elizabeth , Bayly Nicholas , Reese Jessie , Viverette Cathy , Wright James , Caguazango Angela , Tonra Christopher 
Published: September 2019

AbstractClimate change is predicted to impact tropical mangrove forests due to decreased rainfall, sea‐level rise, and increased seasonality of flooding. Such changes are likely to influence habitat quality for migratory songbirds occupying mangrove wetlands during the tropical dry season. Overwintering habitat quality is known to be associated with fitness in migratory songbirds, yet studies have focused primarily on territorial species. Little is known about the ecology of nonterritorial species that may display more complex movement patterns within and among habitats of differing quality. In this study, we assess within‐season survival and movement at two spatio‐temporal scales of a nonterritorial overwintering bird, the prothonotary warbler (Protonotaria citrea), that depends on mangroves and tropical lowland forests. Specifically, we (a) estimated within‐patch survival and persistence over a six‐week period using radio‐tagged birds in central Panama and (b) modeled abundance and occupancy dynamics at survey points throughout eastern Panama and northern Colombia as the dry season progressed. We found that site persistence was highest in mangroves; however, the probability of survival did not differ among habitats. The probability of warbler occupancy increased with canopy cover, and wet habitats were least likely to experience local extinction as the dry season progressed. We also found that warbler abundance is highest in forests with the tallest canopies. This study is one of the first to demonstrate habitat‐dependent occupancy and movement in anonterritorialoverwintering migrant songbird, and our findings highlight the need to conserve intact, mature mangrove, and lowland forests.
A process‐depositional model for the evaluation of archaeological potential and survey methods in a boreal forest setting, Northeastern Alberta, Canada
Authors: Woywitka Robin , Froese Duane 
Published: September 2019

AbstractMore than 1,000 archaeological sites occur within the Clearwater‐Athabasca Spillway, a relict channel that routed catastrophic drainage from glacial Lake Agassiz during deglaciation of northeastern Alberta. This high site density is rare in the region, and artifact assemblages are large due to the presence of abundant sources of lithic raw material. Unfortunately, sites are rarely preserved in stratified or deeply buried deposits. As is often the case in subarctic areas, this lack of depositional context coupled with a paucity of datable organic materials has hindered the establishment of cultural chronologies for the region. To address this issue, we develop a process‐depositional model and digital terrain analysis to identify where thicker sediments may have accumulated, and assess whether survey strategies have adequately tested these areas. We find current survey strategies are biased to testing upland ridges with thin deposits, and that inconsistent methods of recording sediment thickness make it difficult to assess whether vertical profiles are being sampled to sterile deposits. We recommend that future survey strategies in boreal forest settings focus on a broader suite of landforms and landform elements, including those that act as sediment traps.
A Practical Study on How Proactive Quality Approach Can Improve System Development Process to Ensure System‐Effectiveness and ‐Performance
Authors: Aziz Haokar , Qvenild Rolf , Falk Kristin 
Published: September 2019

AbstractThis paper investigates how a proactive quality approach can aid in improving the systems development process for a young company in the water cleaning industry. We apply a mix‐method gap analysis between the existing system development process, and a future desired state. The paper conducts a case study on an existing water cleaning system. Additional data complements this gap analysis, including surveys in the company, analysis of time sheets, water samples from the system, customer‐ and employee‐interviews, work sessions with employees, and observations. Our results show that the company lacks emphasis on activities related to systems engineering. For the case, forty‐nine percent of hours spent in the operational life related to non‐conformances of customer requirements. The paper also illustrates how to implement the two proactive quality tools that are familiar to the employees, namely risk assessments and Quality Function Deployment. In conclusion, a proactive quality approach, with focus on the familiar tools that are easy to implement, could reduce non‐conformances in system operations and improve system performance.
Applying Mission‐Based Adaptability to Discipline Designs
Authors: Zhu Haifeng 
Published: September 2019

AbstractMission‐based adaptability is an important metric in developing sustainable systems and can be used to guide system architecture designs. In this work, it was found such a method can be used in a much broader scope, including guiding detailed system designs. Specifically, this paper has two contributions. First, it applies mission‐based adaptability theory to control systems, and provides two system design flows using mapping techniques, to allow the controller to be conveniently designed. Second, it is shown that theoretically the Model Predictive Control (MPC) optimization can be treated as being equivalent to optimizing Mission Effectiveness Function (MEF) on a single mission in the short‐term case and optimizing on multiple missions in the long‐term case. The effectiveness is shown through two example cases, an aircraft engine and an HVAC (Heating, Ventilation, and Air Conditioning) system.
An A3AOs Method of Software Tools Integration in the Complex System Development
Authors: Johanssen Marius , Zhao Yang‐Yang 
Published: September 2019

AbstractCompanies commonly face cost pressures due to the increasing industry rivalry and competition. Software tools in this regard has become more and more popular in assisting the complex systems development. However, the lack of a proper system development process that integrates the usage of software tools will hinder the company efficiency. This is especially visible as each engineer may use software tools differently. In the context of complex system developments, this research investigates the optimization of the system development process by integrating software tools. We propose an architecture of a new system development process using A3 Architectural Overviews. Based on a real‐life case study and quick‐prototyping techniques, the architecture evolves into an optimized system development process that can increase efficiency, quality and consistency for the case company.
Elevating the meaning of data and operations within the development lifecycle through an interoperable toolchain
Authors: Alvarez‐Rodríguez Jose María , Zuñiga Roy Mendieta , Llorens Juan 
Published: September 2019

AbstractThe use of different engineering methods and tools is a common practice to cover all stages in the systems development lifecycle, generating a very good number of system artifacts. Moreover, these artifacts are commonly encoded in different formats and can only be accessed, in most cases, through proprietary and non‐standard protocols. In this context, the OSLC (Open Services for Lifecycle Collaboration) initiative pursues the creation of public specifications (data shapes) to exchange any artifact generated during the development lifecycle. In this paper, authors extend and apply the OSLC KM (Knowledge Management) specification as a solution with a two‐folded objective: 1) representation of any kind of system artifact and 2) extension of OSLC mechanisms to support the notion of delegated operation. In this manner, it is possible to enhance the exchange of data items and to reuse existing operations within the toolchain as it is demonstrated through a case study.
Transforming the Engineering Organization with Systems Engineering and Quality Management
Authors: Brown Barclay R. , Leigh Bradford , Douglass Bruce , Kennedy Larry 
Published: September 2019

AbstractNever have the challenges of complex product and systems development been greater. Rising complexity coupled with the need for fast development cycle times and lower development and support costs have driven development efforts into a Faustian dilemma. Is it better to become highly agile by forgoing documentation, process and discipline—or to labor under the burden of restrictive, formal processes which use much needed time for non‐development activities like planning, design and documentation? As some development organizations sell their quality souls for expediency, while ignoring the eventual price they may pay, others stay the course, hoping their ponderous processes do not leave them vulnerable to disruptive start‐ups and new business models. Is there a better path? Yes, modern development concepts properly deployed and implemented in a values‐based quality management environment provide a choice of chaos versus quality.The dramatic growth and development of the Internet of Things (IoT) has produced new kinds of risks and unknowns that can result in dangerous unintended consequences and the increased impact of undiscovered defects on people and processes. Reports of major security defects and breaches of data storage have become commonplace.As has always been the case, effective and successful product and systems development is a function of optimally employing people, process and tools. In what follows, we will describe the important challenges and opportunities in each of these three areas, and show how a values‐based quality management approach provides the context, values and standards for achieving both short‐ and long‐term success. Values‐based quality management has all of the protocols, due diligence, rigor, systems thinking, and scientific thought associated with 1QR. It also includes the added emphasis of 21st century techniques, and the ability to train and retain high‐performers.