bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of 12‐hr shifts in general hospitals: Study conducted in two intensive care units
Authors: Fratissier Anne , Gauberti Philippe , Morello Rémy , Clin Bénédicte 
Published: December 2020

AbstractAimTo evaluate the impact of 12‐hr shifts on health status, working conditions and satisfaction among nurses and healthcare auxiliaries in medical and surgical intensive care units in a general hospital.DesignThis study was a descriptive and prospective questionnaire study of personnel involved in the organization of 12‐hr shifts.MethodsThe EVREST questionnaire was used, with the addition of two questions on respondents' health status and five questions on their job satisfaction. The study consisted of a first phase immediately before work was organized in 12‐hr shifts and a second within 7–9 months of application of this organization.ResultsPositive effects were found among day nurses including decreased periods of pressure during the working day and improved work–life balance. Conversely, night nurses, who are not in favour of 12‐hr shifts, reported dissatisfaction caused by a deterioration both in working conditions and in work–life balance.
Genotypic characterization of cashew (Anacardium occidentale L.) clones using agro‐morphological traits
Authors: Adu‐Gyamfi Paul K. K. , Akpertey Abraham , Barnnor Michael , Ofori Atta , Padi Francis 
Published: December 2020

AbstractHigh cropping efficiency implies that high yields are obtained from reasonably sized trees. We studied the general and specific combining ability (GCA and SCA) of selected cashew clones of Brazilian (A), Beninese (BE), and Ghanaian (SG) background for cropping efficiency and nut weight in the early years of bearing. Using North Carolina II mating design, four clones were crossed as males to three best clones recommended for farmers. The 12 F1 progenies were evaluated in the field at Wenchi (2012–2018) for increase in trunk cross‐sectional area at the vegetative (TCSAv) and reproductive (TCSAr) stages, canopy spread in the east‐west (CSew) and north‐south (CSns) directions, nut yield (NY), nut weight (NW), and cropping efficiency (CE) using a randomized complete block design with three replications. Cropping efficiencies were in the range of 30.8–67.4 g/cm2/year while nut weight and nut yield varied from 5.9 to 10.5 g/year and 477.8 to 939.4 kg ha‐1 year‐1 in the fourth to sixth years after planting, respectively. The Beninese progenies outperformed the Brazilian progenies for cropping efficiency. GCA effects were more important than SCA effects. Narrow‐sense heritability ranged from 0.47 (CE) to 0.80 (NW). Canopy spread in the north‐south direction correlated (rg = 0.98; p ≤ .001) strongly with cropping efficiency at the genotypic level. Among males, BE203 showed positive GCA effects for cropping efficiency, TCSAv, and nut yield, whereas A2 and SG273 showed positive GCA effects for nut weight. Among females, SG287 showed negative GCA effects for TCSAr. Our study provides evidence that, cashew tree size and nut quality are under genetic control and the identified clones represent a suitable genetic resource pool to increase productivity.
Evaluation of the Aortopathy in the Ascending Aorta: The Novelty of Using Matrix‐Assisted Laser Desorption/Ionization Imaging
Authors: Mohamed Salah A. , Taube Eliane T. , Thiele Herbert , Noack Frank , Nebrich Grit , Mohamady Kamal , Hanke Thorsten , Klein Oliver 
Published: December 2020

PurposeHistopathological evaluation presents conflicting reports regarding aortic abnormalities. The authors aim to present proof‐of‐concept study to explore the feasibility of matrix‐assisted laser desorption/ionization imaging mass spectrometry (MALDI‐IMS) in combination with histopathology for characterizing alterations in the aneurysmal ascending formalin‐fixed paraffin‐embedded (FFPE) aorta tissue.Experimental designThe authors assess FFPE specimens from patients with a dilated aorta and bicuspid aortic valve (BAV), those with a standard tricuspid aortic valve (TAV), and those with Marfan syndrome (MFS) via histopathology and grade the conditions for elastic fiber fragmentation (EFF) and MALDI‐IMS. The proteins using liquid chromatographic–mass spectrometry are identified and the results are confirmed by immunohistochemistry.ResultsThere is significant difference in terms of EFF between MFS and BAV, and TAV and BAV. Characteristic peptide signatures and m/z values in the EFF facilitate the characterization among the aortic specimens of BAV, MFS, and TAV. The m/z values from the aortic alpha smooth muscle actin and myosin heavy chains significantly increase in BAV compared with MFS and TAV. These findings are confirmed by immunohistochemistry.ConclusionThe results represent a strategy that uses MALDI‐IMS in combination with histopathology as promising approaches to characterize spatial alteration in the structure of the aneurysmal ascending aorta.
Preferred Void Orientation in Uniaxially Pressed PBX 9502
Authors: Mang Joseph T. , Hjelm Rex P. 
Published: December 2020

AbstractUltra‐ and small‐angle neutron scattering techniques were used to study the morphology of voids in directions parallel and perpendicular to the compaction plane of a uniaxially pressed cylinder of PBX 9502. Two‐dimensional scattering patterns from samples cut parallel to the compaction plane had circular equal‐intensity contours, implying that along this view the voids are circular or randomly oriented. Identical measurements of samples cut perpendicular to the compaction plane produced elliptical equal‐intensity contours, indicating preferred orientation of voids. Analysis of the two dimensional scattering patterns confirmed that the voids are non‐spherical with an average aspect ratio of 1.20, flattened so that the larger dimensions of the voids lie within the compaction plane. Model analysis of the combined ultra‐ and small‐angle neutron scattering curves revealed that the PBX 9502 porosity is interconnected, in the form of aggregates comprised of non‐spherical, primary voids. The volume dimension was found to be the same in both directions, indicating that the aggregate is randomly oriented throughout the sample, and that it is the primary voids that are preferentially oriented. Void interfaces with the surrounding matrix were found to be rough or polydisperse, with a common roughness dimension or polydispersity in all directions.
Thermal Decomposition of 1,3,5,5‐Tetranitrohexahydro‐Pyrimidine: A New Type of Autocatalysis that Persists at High Temperatures
Authors: Sinditskii Valery P. , Smirnova Anastasia D. , Vu Tuan Q. , Filatov Sergey A. , Serushkin Valery V. , Rudakov Gennady F. 
Published: December 2020

AbstractThe thermal stability of 1,3,5,5‐ tetranitrohexahydropyrimidine (TNDA) in liquid phase under isothermal conditions was studied. It was established that the TNDA decomposition (kliq=3.1 ⋅ 1021⋅exp(−26865/T), Ea=223.4 kJ mol−1) is accompanied by strong autocatalysis (kcat=9.8 ⋅ 1014⋅exp(‐18056/T), Ea=150.2 kJ mol−1). The mechanism of autocatalysis was proposed. The essence of autocatalysis is the oxidation of TNDA by decomposition products, followed by the destruction of the molecule. An unusual feature of this autocatalysis is that, in contrast to autocatalysis of nitroesters, the process does not disappear at high temperatures, but rather determines the kinetics of heat release in the combustion wave. The surface temperature and combustion mechanism of TNDA were established through thermocouple studies. It was shown that the autocatalysis reaction at the surface temperature controls the burning rate.
The different resonant modes for the special 2D/1D hybrid structures in the visible‐light region
Authors: Wu Zhen‐Yu , Zhang Hong 
Published: December 2020

AbstractLow‐dimensional nanostructures have demonstrated abundant novelty characteristics in the quantum field. Inspired by this, we design a 2D/1D hybrid structure based on the graphene‐like material (BC3 cluster) and noble metal (Ag chain) to study its optical response feature. The absorption spectrum illustrates that the structure obtains excellent performance such as high absorption strength and distinguish double peaks in the visible energy range (1.61–3.10 eV). Further calculations of induced charge distribution show that there are obviously resonant surface plasmon mode for the 2D/1D hybrid structure and origin surface plasmon mode mainly come from the 2D structure in the low energy region. To find out the similar characteristics of other 2D/1D hybrid structure, we perform the corresponding calculations of C3N and Ag hybrid structures. The results have proved the uniform performances for the two special hybrid structures in optical response, which provides attractive light‐matter interactions in the low‐dimensional nanostructures and tremendous potential in the developments of photosensor and optical energy devices.
A DFT study on NHC‐catalyzed [4 + 2] annulation of 2H‐azirines with ketones: Mechanism and selectivity
Authors: Li Yan , Zhang Zhiqiang 
Published: December 2020

AbstractTo examine the mechanisms and stereoselectivities in the [4 + 2] annulation between an 2H‐Azirine and a ketone catalyzed by a N‐heterocyclic carbine (NHC), M06‐2X density functional theory (DFT) calculations were performed. The reaction was found to proceed via five steps: (Step 1) the NHC adds nucleophilically to the 2H‐azirine; (Step 2) 1,2‐proton transfer affording the Breslow intermediate; (Step 3) three‐membered ring opening accompanied by another proton transfer; (Step 4) addition to the ketone and (Step 5) regeneration of the active catalyst to give the [4 + 2] cycloadduct. For Step 2, we investigated both direct and mediators (H2O and HCO3−) assisted proton transfer, and we found that the HCO3− assisted mechanism is preferred. In addition, we found that Step 3 (ring opening) determines the regioselectivity of this reaction and favors the cleavage of the CN bond. Step 4, that is, the CN bond formation step is found to be responsible for the stereoselectivity of the reaction, and the R‐ and S‐configurational products should compete with each other. DFT results agree well with the experimental findings. Moreover, we performed GRI, and NBO analyses to investigate the role the NHC. The mechanistic insights gained herein should be useful for rational designing new NHC‐catalyzed ring opening reactions in the future.
An enhanced dynamic authentication scheme for mobile satellite communication systems
Authors: Chen Yulei , Chen Jianhua 
Published: December 2020

SummaryRecently, Altaf et al. proposed a novel authentication and key‐agreement scheme for satellite communication network. In this paper, we will prove that Altaf et al.'s scheme cannot provide perfect forward secrecy and resist the off‐line password guessing attack and user impersonation attack. To overcome these weaknesses, we propose an enhanced dynamic authentication scheme for mobile satellite communication systems, making use of the advantages of one‐way hash function and the discrete logarithm problem. We formally prove the security of the proposed scheme under the widely used BPR adversary model, and the heuristic discussion shows that the new scheme has good security and can resist all kinds of known malicious attacks. In addition, by comparing with other related schemes, we find that our scheme has better performance.
Desymmetrization of Cyclopentene‐1,3‐Diones via Alkylation, Arylation, Amidation and Cycloaddition Reactions
Authors: Das Tapas 
Published: December 2020

AbstractDesymmetrization of prochiral cyclopentene‐1,3‐diones for the synthesis of various natural products and moieties of pharmaceutically active compounds, is a very challenging and competitive area of research in organic synthesis now a days. It is a very powerful strategy to provide quaternary stereocenter having different functionality, which is very difficult to install by other C−C bond‐forming methods. This review describes an elaborative discussion of desymmetrization of cyclopentene‐1,3‐diones (racemic and asymmetric) via different alkylation, arylation, amidation and cycloaddition process for the last decades.
Fluorene‐Labeled 2'‐Deoxyuridine as an Environmentally Sensitive Probe for Detection of an Abasic Site
Authors: Hong Seung Woo , Lee So Young , Hwang Gil Tae 
Published: December 2020

AbstractThe fluorescence properties of the fluorene‐labeled 2'‐deoxyuridine derivative UF are sensitive to the polarity and viscosity of its solvent. We incorporated this environment‐sensitive unit into the central position of oligodeoxynucleotides (ODNs) and placed various flanking bases (FBs) around the UF residue, then investigated the changes in fluorescence that occurred when these ODN probes encountered DNA targets containing an abasic site. The ODN probe featuring cytosine‐FBs turned on its fluorescence when contacting the fully matched target DNA sequence, but turned off its fluorescence dramatically when the target DNA contained an abasic site.
High‐Performance Lithium‐Ion Capacitors Based on Porosity‐Regulated Zirconium Metal−Organic Frameworks
Authors: Yan Wen , Su Jian , Yang Zhi‐Mei , Lv Sen , Jin Zhong , Zuo Jing‐Lin 
Published: December 2020

AbstractComprised of a battery anode and a supercapacitor cathode, hybrid lithium‐ion capacitors (HLICs) are found to be an effective solution to realize both high power density and high energy density at the same time. Organic–inorganic hybrid materials with well‐organized framework guided by the reticular chemistry are one of the promising anode materials for HLICs because of rich active sites and ordered porosity. Herein, metal−organic framework consisting of Zr4+ metal ions and tetrathiafulvalene‐based ligands (Zr‐MOF) is proposed as the pseudocapacitive anode of HLICs. The Zr‐MOF possesses high stability, high crystallinity, and multiple meso‐microporous channels favorable for ion transport. The as‐prepared Zr‐MOF||activated carbon HLICs present high energy density (122.5 Wh kg−1), high power density (12.5 kW kg−1), and stable cycling performance (86% capacity retention after 1000 cycles at 2000 mA g−1) within the operating voltage range of 1.0–4.0 V. The results expand the direct application of MOF for bridging the performance gap between batteries and supercapacitors.
An analytical method to visualize higher mode effects on yielding cantilever walls
Authors: Kazaz İlker 
Published: December 2020

SummaryA nonlinear flexural plastic hinge developing at the base of the cantilever wall changes its dynamic properties. In such systems, contribution of higher modes to the total shear force response after yielding may be underestimated when they are assumed to prone same or some nonlinearity as the first mode. In order to calculate the modal properties of a cantilever walls developing a plastic hinge at the base after yielding, the fundamental analytical beam formulation is revisited, and by applying special boundary condition reflecting the nonlinear deformation at the fixed base, that is, plastic hinge rotation, a novel formulation that is able to track changes in the modal properties of yielding cantilever shear wall is derived. The modal properties are effectively calculated depending on the level of nonlinear plastic rotation demand. Derived formulation can be very useful in the analysis of higher mode effects on shear wall systems, where the essential understanding of dynamic shear force amplification in cantilever wall system lays in the variation of the systems dynamic modal properties extending from linear to nonlinear range. A mode superposition method using equivalent nonlinear modal single‐degree‐of‐freedom (SDOF) systems is presented for the estimation of maximum shear force.
Coordination‐Assembled Molecular Cages with Metal Cluster Nodes
Authors: Zhu Zheng‐Zhong , Tian Chong‐Bin , Sun Qing‐Fu 
Published: December 2020

AbstractMolecular cages have attracted great attention because of their fascinating topological structures and well‐defined functional cavities. These discrete cages were usually fabricated by coordination assembly approach, a process employing directional metal‐ligand coordination bonds due to the nature of the divinable coordination geometry and the required lability to encode dynamic equilibrium/error‐correction. Compared to these coordination molecular cages with mononulcear metal‐nodes, an increasing number of molecular cages featuring dinuclear and then polynuclear metal‐cluster nodes have been synthesized. These metal‐cluster‐based coordination cages (MCCCs) combine the merits of both metal clusters and the cage structure, and exhibit excellent performances in catalysis, separation, host‐guest chemistry and so on. In this review, we highlight the syntheses of MCCCs and their potential functions that is donated by the metal‐cluster nodes.
Carboxy terminus of HSP70‐interacting protein (CHIP) attenuates the stemness of thyroid cancer cells through decreasing OCT4 protein stability
Authors: Xu Ying , Xu Gang , Dang Huimin , Qu Wei , Chang Dan , He Xin , Li Minmin , Wang Qian 
Published: December 2020

AbstractCancer cell stemness results in the occurrence and progression of tumors and Oct4 (octamer‐binding transcription factor) has been confirmed to be a critical contributor and marker of cancer cell stemness. Here, we aimed to explore the underlying mechanisms contributing to Oct4 protein stability, which is necessary for thyroid cancer (TC) cell stemness. We indicated that carboxy terminus of HSP70‐interacting protein (CHIP) protein was lowly expressed in TC tissues and cells, and positively correlated with the overall survival of TC patients. By analyzing the co‐expression network in TC tissues, we found that CHIP and Oct4 expression exhibited a negative correlation. Functional experiments showed that CHIP knockdown promoted the stemness of TC cells, while CHIP overexpression reduced the stemness of TC spheroids formed by TC cells, in which CHIP expression was significantly decreased. Furthermore, CHIP had no effect on TC cell viability. Mechanistic studies revealed that CHIP directly interacted with Oct4 protein and induced Oct4 ubiquitination, whereas a catalytic CHIP mutant (H260Q) did not. And CHIP regulated the stemness of TC cells in an Oct4‐dependent manner. Overall, this work indicates that the CHIP/Oct4 axis is essential for TC cell stemness.
An Iron(II) Spin Crossover Complex with a Maleonitrile Schiff base‐like Ligand and Scan Rate‐dependent Hysteresis above Room Temperature
Authors: Kurz Hannah , Hörner Gerald , Weber Birgit 
Published: December 2020

AbstractA Schiff base‐like ligand bearing a maleonitrile backbone was synthesized and converted in two steps to an octahedral iron(II) complex with axial imidazole ligands. Single crystal X‐ray structure analysis of this complex revealed a 3D hydrogen bond network based on the NH groups of the axial imidazole ligands that act as donors. Interestingly, temperature‐dependent magnetic measurements showed an abrupt spin crossover with hysteresis above room temperature. Thereby, the hysteresis width features a strong scan rate dependency leading to a 6 K wide hysteresis at a scan rate of 5 K/min and 1 K width when measured in settle mode. This kinetic effect is further investigated by DSC measurements verifying the strong scan rate dependency of the hysteresis width. The small hysteresis was additionally followed using temperature‐dependent PXRD. For comparison, the corresponding pyridine complex was synthesized as well.
Running in the Family: Molecular Factors controlling Spin Crossover of Iron(II) Complexes with Schiff‐base like Ligands
Authors: Schönfeld Sophie , Bauer Wolfgang , Thallmair Sebastian , Hörner Gerald , Weber Birgit 
Published: December 2020

AbstractTailoring of spin state energetics of transition metal complexes and even the correct prediction of the resulting spin state is still a challenging task, both for the experimentalist and the theoretician. Apart from the complexity in the solid state imposed by packing effects, molecular factors of the spin state ordering are required to be identified and quantified on equal rights. In this work we experimentally record the spin states and SCO energies within an eight‐member substitution‐series of N4O2 ligated iron(II) complexes both in the solid state (SQUID magnetometry and single‐crystal X‐ray crystallography) and in solution (VT‐NMR). The experimental survey is complemented by exhaustive theoretical modelling of the molecular and electronic structure of the open‐chain N4O2 family and its macrocyclic N6 congeners through density‐functional theory methods. Ligand topology is identified as the leading factor defining ground‐state multiplicity of the corresponding iron(II) complexes. Invariably the low‐spin state is sterically trapped in the macrocycles, whereas subtle substitution effects allow for a molecular fine tuning of the spin state in the open‐chain ligands. Factorization of computed relative SCO energies holds promise for directed design of future SCO systems.
Women Seafarers: An Analysis of Barriers to Their Employment
Authors: Kitada Momoko 
Published: December 2020

AbstractThis chapter examines the barriers to the employment of women seafarers and identifies problems in the current attempts at addressing the gender imbalance in the maritime industry. Three impediments to female employment will be discussed in the context of modern shipping: occupational cultural barriers; lack of awareness and knowledge about women at sea; and the slow development of effective policies and strategies aimed at recruiting and retaining women seafarers. It draws the conclusion that the employment of women seafarers should be more focused and that the engagement of employers, including shipping companies and crewing agencies, is necessary to improve the situation of women seafarers.
Deterrence in Peace Operations: Look Beyond the Battlefield and Expand the Number of Targets and Influence Mechanisms
Authors: Jakobsen Peter Viggo 
Published: December 2020

AbstractThe peace operations literature suffers from a narrow focus on battlefield deterrence. It ignores the need to deter actors beyond the battlefield from supporting the combatants using force, and analyses the use of military threats and force in peace operations in a vacuum without taking into account the other instruments that deterring actors employ simultaneously to influence the combatants, combatant allies, combatant supporters and bystanders that undermine deterrence in peace operations. Since most peace operation forces lack the capacity and willingness to threaten and use force in accordance with the requirements stipulated by rational deterrence theory, influencing actors beyond the battlefield is more important with respect to deterring violence than the military efforts undertaken by peace operation forces to deter combatants from using force or to compel them to stop doing so. Accordingly, this chapter develops a new analytical framework that will enable peace operation theorists and practitioners to target all the actors that undermine deterrence on the battlefield and beyond with all the tools at their disposal—persuasion, inducement and coercion. The framework will improve both theory and practice by providing a better understanding of the conditions under which peace operations can contribute to deterring and, if need be, compelling combatants from using force as well as identifying the tools that practitioners can employ to this end. It highlights that peace operations merely constitute the top of the deterrence iceberg, and that peace operation forces must be supported by other actors and tools to succeed with respect to deterring violence and facilitating conflict resolution.