bluuebunny/crossref_metadata_2025_split huggingface dataset:
A thermal stress analysis of fluid–structure interaction applied to boiler water wall
Authors: Zhang Zhenrong , Yang Zong , Nie Huichao , Xu Ligang , Yue Junfeng , Huang Yaji 
Published: August 2020

AbstractFluid–structure interaction (FSI), the combination of computational fluid dynamics and computational solid mechanics, is considered as a procedure to determine the stress or strain of the solid under the influence of flow movement. Common parameters such as pressure and temperature that existed in the fluid solver and solid solver are the core factors of date communication in FSI. This work investigated the thermal stress and deformation distribution of the vapor segment of the water wall by numerical simulation under two typical conditions of the 660‐MW boiler. The ideal condition and the case with the oxide scale inside were compared to realize the peculiarity of parameter distribution. The results revealed that the peak temperature of water wall was 812.51 K and the maximum deformation was 19.286 mm under ideal condition. Thermal stress of the water wall in the central region was 70–90 Mpa under ideal condition. The “double‐wave peak” temperature tendency on the fire side was presented with both boundary conditions. However, in terms of the scaling condition, the temperature of water wall escalated result from the heat transfer deterioration. Besides, the scale layer hindered the free expansion of the pipe bank and restrained the deformation of the membrane water wall result in the increase of thermal stress and the decrease of reference deformation.
Stability analysis of dynamic interval type‐2 fuzzy control systems in frequency domain
Authors: Namadchian Zahra , Zare Assef 
Published: August 2020

AbstractThe present paper aims to analyze the stability of dynamic Interval Type‐2 fuzzy control systems (IT2 FCSs) with adjustable parameters by investigating the existence of limit cycles based on the describing function (DF) method. To simplify the stability analysis, the following structured procedure is described. First, to avoid complex computation, a simple architecture of the IT2 FCS using two embedded Type‐1 fuzzy control systems (T1 FCSs) is proposed. Then, the DF of IT2 FCS is obtained based on the DFs of embedded T1FCSs. Subsequently, integrating the stability equation and parameter plane approaches provides a solution to identify the limit cycle and the asymptotically stability regions. Moreover, particle swarm optimization (PSO) technique is utilized to minimize the limit cycle region. Other focus of this paper is on the stability margins analysis for robust design. For this purpose, a gain‐phase margin tester is applied to determine the minimum Gain Margin (GMmin) and Phase Margin (PMmin) when limit cycles can arise. Finally, two simulation examples are given to verify the effectiveness of the proposed approach.
Safety and Feasibility of an Immersive Virtual Reality Intervention Program for Teaching Police Interaction Skills to Adolescents and Adults with Autism
Authors: McCleery Joseph P. , Zitter Ashley , Solórzano Rita , Turnacioglu Sinan , Miller Judith S. , Ravindran Vijay , Parish‐Morris Julia 
Published: August 2020

Low‐cost, wireless immersive virtual reality (VR) holds significant promise as a flexible and scalable intervention tool to help individuals with autism spectrum disorder (ASD) learn and develop critical practical life skills, including interacting safely and effectively with police officers. Previous research suggests that VR is a motivating intervention platform, but many individuals with ASD also exhibit anxiety and sensory sensitivities which might make it difficult to tolerate VR experiences. Here, we describe the results of a relatively large‐scale, National Institutes of Health‐funded systematic examination of the safety, feasibility, and usability of an immersive VR training program in adolescents and adults with ASD, aged 12 and older. Sixty verbally fluent individuals with no personal or immediate family history of seizures or migraines participated in either one (n = 30) or three 45‐min (n = 30) VR sessions using a lightweight wireless headset, and were monitored for side effects. Participants also reported on system usability, enjoyment, and willingness to engage in further VR sessions. Results confirm that immersive VR is safe, feasible, and highly usable for verbally fluent adolescents and adults with ASD.Lay SummaryImmersive virtual reality (VR) holds promise as a means to provide social skills interventions for individuals with autism spectrum disorder (ASD), but it is unclear whether associated anxiety and sensory symptoms might limit feasibility. Here, we report data that indicate that immersive VR is both safe and feasible for use in verbally fluent adolescents and adults with ASD, for up to three 45‐min sessions. Autism Res 2020, 13: 1418–1424. © 2020 International Society for Autism Research, Wiley Periodicals, Inc.
Performance evaluation of reverse logistics in food supply chains in a circular economy using system dynamics
Authors: Kazancoglu Yigit , Ekinci Esra , Mangla Sachin Kumar , Sezer Muruvvet Deniz , Kayikci Yasanur 
Published: August 2020

AbstractSupply chains are composed of multiple stakeholders who have complex interrelationships. In addition, the forward and reverse flow of materials, information, human resources, and finance occurs among different stakeholders in closing the loop of supply chains. Reverse logistics (RL) activities are gaining importance in terms of size and quantity due to both economic and environmental concerns. These flows in RL in supply chains are both dynamic and complex in nature. Further, the environmental impact of RL activities has barely been considered in holistic way in available literature. In this study, a system dynamics model has been developed to analyze and comprehend the green performance of RL activities by predicting the environmental impact of RL activities. The proposed model has been validated by a case study in the context of a food supply chain. In the company where the case study is carried out, the environmental effects of RL activities have been analyzed. These activities in a food supply chain in terms of CO2 (carbon dioxide), NOx (nitrogen oxide), SO2 (sulfur dioxide), and PM (particulate matter) emissions have been predicted through a system dynamics model for the years 2020 to 2024. The proposed methodology is applied in a food supply context, a major player in retail business, especially in emerging economies. According to our findings, the RL activities in a food supply chain can significantly contribute to green performance management by minimizing food waste and loss; hence, the environmental impacts of such activities should be closely examined from a managerial perspective.
Polymethylated Phloroglucinol Meroterpenoids from Rhodomyrtus tomentosa and Their Antibacterial and Acetylcholinesterase Inhibitory Effects
Authors: Liu Hui , Li Ping , Bi Li‐Sha , Wu Wen‐Juan , Yan Huan , He Li , Qin Xu‐Jie , Liu Hai‐Yang 
Published: August 2020

AbstractRhotomentodiones C−E, three new polymethylated phloroglucinol meroterpenoids with diverse configurations, were isolated from the twigs and leaves of Rhodomyrtus tomentosa. Their structures and absolute configurations were established mainly by means of comprehensive spectroscopic data and electron circular dichroism (ECD) calculation. Among them, Rhotomentodione D (2) exhibited both antibacterial activity with an MIC value of 12.5 μg/mL against Propionibacterium acnes and AChE inhibitory activity with an IC50 value of 22.9 μm.
Metastatic neuroendocrine tumor masquerading as liver abscesses
Authors: Aggarwal Abhimanyu , Gupta Madhuvan , Gabriel Joseph , Walker Durane 
Published: August 2020

AbstractFever and deranged transaminases with liver mass(es) on imaging mandates further evaluation of the mass(es) and should be followed radiologically and clinically. In the absence of a definitive diagnosis, repeat biopsy should be done.
New Insights into the Deactivation and Stabilization Causes of Plugged AlSBA‐15 in Liquid‐phase Friedel‐Crafts Organic Reactions
Authors: Shakeri Mozaffar , Zarnagh Ali Shirzadeh 
Published: August 2020

AbstractDeactivation is the major challenge of heteroatom‐substituted mesoporous silica materials for large scale applications. Here we report the impact of plugging of mesochannels of AlSBA‐15 on activity and stability of liquid‐phase acylation of anisole with (extremely) low catalyst loadings of 0.15–0.6 wt.% and 0.6–3 wt.% in batch and in repeated batch reactions, respectively. The analysis of property‐catalytic performances showed that deactivation of the plugged AlSBA‐15 was partially from a physical cause by deposition of a uniform nanometer layer of coke on the surface blocking the active sites which could be restored by calcination and partially from an irreversible chemical cause by Al leaching. The catalytic performance of plugged AlSBA‐15 was compared with that of open AlSBA‐[15]. The plugged AlSBA‐15 showed lower but more sustained activity than that by open AlSBA‐15 coming from less and different type of coke deposition. These properties of plugged AlSBA‐15 resulted in two times higher productivity (44.3 vs 23.3 mg‐product/mg‐catalyst) than that by open AlSBA‐[15] . The plugging of mesochannels thus reduced the amount of coke deposition and stabilized the catalyst; however, it exerted no effect on Al leaching. In conclusion, understanding the role of plugging of mesochannels in stabilization and Al leaching and coke deposition in deactivation are useful to design and synthesize efficient solid acid catalysts for liquid‐phase organic reactions.
Nanostructured Boron Doped Diamond Electrodes with Increased Reactivity for Solar‐Driven CO2 Reduction in Room Temperature Ionic Liquids
Authors: Knittel Peter , Buchner Franziska , Hadzifejzovic Emina , Giese Christian , Quellmalz Patricia , Seidel Robert , Petit Tristan , Iliev Boyan , Schubert Thomas J. S. , Nebel Christoph E. , Foord John S. 
Published: August 2020

AbstractConductive, boron doped diamond (BDD) is an extraordinary material with many applications in electrochemistry due to its wide potential window, outstanding robustness, low capacitance and resistance to fouling. However, in photoelectrochemistry, BDD usually requires UV light for excitation, which impedes e. g., usage in CO2 to fuel reduction. In this work, a heavily boron doped, nanostructured diamond electrode with enhanced light absorption has been developed. It is manufactured from BDD by reactive ion etching and presents a coral‐like structure with pore diameters in the nanometer range, ensuring a huge surface area. The strong light absorbance of this material is clearly visible from its black color. Consequently, the material is called Diamond Black (DB). Electrochemical and X‐ray photoelectron spectroscopy measurements performed at near‐ambient pressure conditions of water vapor demonstrate increased surface reactivity for the hydrogen‐terminated DB compared to oxidized surfaces. Depending on the surface termination, the wettability and hence the electrochemically accessible area can be changed. Photoelectrochemical conversion of CO2 was demonstrated using a Cu2O‐modified electrode in ionic liquids under solar illumination. High formic acid production rates at low catalyst deposition times can be obtained paired with an increased catalyst stability on the DB surface.
Flexible π‐Conjugated 2,5‐Diarylamino‐Terephthalates: A New Class of Mechanochromic Luminophores with Tunable Aggregation States
Authors: Liu Zhipeng , Liu Yi , Qi Fen , Yan Hui , Jiang Zhiyong , Chen Yuncong 
Published: August 2020

AbstractThe generation of different thermodynamically (meta)stable states is crucial for the development of smart solid‐state luminescent materials. However, the design of luminophores with tunable aggregation states is remaining a grand challenge. Herein, we present a family of mechanochromic luminophores with tunable metastable states, based on the dynamically controllable π–π stacking of the flexible π‐conjugated structure of 2,5‐diarylamino‐terephthalates in the solid state. The experimental data revealed that both the kinetically controlled metastable state and thermodynamic controlled stable state can be generated via tuning the intermolecular interactions such as π–π stacking and hydrogen bonds. As a result, the highly sensitive mechano‐stimuli response of these luminophores was successfully achieved.
A Thermodynamic Perspective on Potential G‐Quadruplex Structures as Silencer Elements in the MYC Promoter
Authors: Jana Jagannath , Weisz Klaus 
Published: August 2020

AbstractMultiple G‐tracts within the promoter region of the c‐myc oncogene may fold into various G‐quadruplexes with the recruitment of different tracts and guanosine residues for the G‐core assembly. Thermodynamic profiles for the folding of wild‐type and representative truncated as well as mutated sequences were extracted by comprehensive DSC experiments. The unique G‐quadruplex involving consecutive G‐tracts II–V with formation of two one‐nucleotide and one central two‐nucleotide propeller loop, previously proposed to be the biologically most relevant species, was found to be the most stable fold in terms of its Gibbs free energy of formation at ambient temperatures. Its stability derives from its short propeller loops but also from the favorable type of loop residues. Whereas quadruplex folds with long propeller loops are significantly disfavored, a snap‐back loop structure formed by incorporating a 3’‐terminal guanosine into the empty position of a tetrad seems highly competitive based on its thermodynamic stability. However, its destabilization by extending the 3’‐terminus questions the significance of such a species under in vivo conditions.
How Do Metal Ions Modulate the Rate‐Determining Electron‐Transfer Step in Cytochrome P450 Reactions?
Authors: Dixit Vaibhav A. , Warwicker Jim , de Visser Sam P. 
Published: August 2020

AbstractCytochrome P450 (CYP450) enzymes play important roles in maintaining human health and their reaction rates are dependent on the first electron transfer from the reduction partner. Interestingly, experimental work has shown that this step is highly influenced by the addition of metal ions. To understand the effect of external perturbations on the CYP450 first reduction step, we have performed a computational study with model complexes in the presence of metal and organic ions, solvent molecules, and an electric field. The results show that these medium‐range interactions affect the driving force as well as electron‐transfer rates dramatically. Based on the location, distance, and direction of the ions/electric field, the catalytic reaction rates are enhanced or impaired. Calculations on a large crystal structure with bonded alkali metal ions indicated inhibition patterns of the ions. Therefore, we predict that the active forms of the natural CYP450 isozymes will not have more than one alkali metal ion bound in the second‐coordination sphere. As such, this study provides an insight into the activity of CYP450 enzymes and the effects of ions and electric field perturbations on their activity.
Dynameric Collagen Self‐Healing Membranes with High Mechanical Strength for Effective Cell Growth Applications
Authors: Zhang Yan , Zhang Ye , Cui Han , Barboiu Mihail , Chen Jinghua 
Published: August 2020

AbstractThe fabrication of biocompatible adaptive materials with high stiffness and self‐healing properties for medical applications is a challenging endeavor. Collagen is a major extracellular matrix component acting as a substrate for cell adhesion and migration. Dynamers are constitutional polymers whose monomeric components are linked through reversible bonds, able to modify their constitution through reversible exchange of their components. In the current work, we demonstrate that the rational combination of collagen and dynameric networks connected with reversible covalent imine bonds is a very important and previously unreported strategy to provide biocompatible membranes with self‐healing ability and excellent mechanical strength. The key challenge in the construction of such membranes is the required adaptive interaction between collagen chains and the dynamic cross‐linkers, preventing the formation of defects. For example, by varying structure and molecular lengths of the dynamers, the tensile strength of the dynameric membranes reach over 80 MPa, more than 400 % higher than that observed for the reference collagen membrane, and the highest value for break strain found, was 19 %. The self‐healing properties were observed when reconnecting two membrane pieces or even from crushed status of the membranes. Moreover, both MTT assay and confocal laser scanning microscopy method demonstrated the good biocompatibility of the collagen membranes, leaving more than 90 % viability for NIH 3T3 cells after 24 h co‐culture.
Enabling Control over Mechanical Conformity and Luminescence in Molecular Crystals: Interaction Engineering in Action
Authors: Ghora Madhubrata , Majumdar Prabhat , Anas Mohammed , Varghese Shinto 
Published: August 2020

AbstractMolecular crystals of π‐conjugated molecules are of great interest as the highly ordered dense packing offers superior charge and exciton transport compared with its amorphous counterparts. However, integration into optoelectronic devices remains a major challenge owing to its inherently brittle nature. Herein, control over the mechanical conformity in single crystals of pyridine‐appended thiazolothiazole derivatives is reported by modulating the molecular packing through interaction engineering. Two polymorphs were prepared by achieving control over the thermodynamic/kinetic factors of crystallization; one of the polymorphs exhibits elastic bending whereas the other is brittle. The control over the bending ability was achieved by forming co‐crystals with hydrogen/halogen bond donors. A seamless extended crisscross pattern with respect to the bend plane through a ditopic hydrogen‐bonding motif showed the highest compliance towards mechanical bending, whereas the co‐crystals with a layered crisscross arrangement with segregated layers of co‐formers exhibit slightly lower bending conformity. These results update the rationale behind the plastic/elastic bending in molecular crystals. The co‐crystals of ditopic halogen bond co‐assemblies are particularly appealing for waveguiding applications as the co‐crystals blend high mechanical flexibility and luminescence properties. The hydrogen bonded co‐crystals are non‐emissive in nature owing to excited state proton transfer dynamics. The rationale behind the fluorescence properties of these materials was also established from DFT calculations in a quantum mechanics/molecular mechanics (QM/MM) framework.
New Luminescent Tetranuclear Lanthanide‐Based Silsesquioxane Cage‐Like Architectures
Authors: Kulakova Alena N. , Bilyachenko Alexey N. , Levitsky Mikhail M. , Khrustalev Victor N. , Shubina Elena S. , Felix Gautier , Mamontova Ekaterina , Long Jérôme , Guari Yannick , Larionova Joulia 
Published: August 2020

AbstractThe synthesis, structure, magnetic, and luminescence properties investigations of four new cage‐like lanthanide‐based silsesquioxanes (Cat)2[(PhSiO1.5)8(LnO1.5)4(O)(NO2.5)6(EtOH)2(MeCN)2] (where Cat+=Et4N+, PPh4P+ and Ln3+=Eu3+, Tb3+ and (Ph4P)4[(PhSiO1.5)8(TbO1.5)4(O)2(NO2.5)8]⋅10MeCN are reported. They present an unusual prism‐like topology of cage architectures and lanthanide‐characteristic emission, which makes them the first luminescent cage‐like lanthanide silsesquioxanes. One of the Tb3+‐based cages presents a magnetic spin‐flip transition.
Primary diffuse large B cell lymphoma of Uterine Cervix: Treatment outcomes of a rare entity with literature review
Authors: Goda Jayant Sastri , Gaikwad Utpal , Narayan Anand , Kurkure Durva , Yadav Subhash , Khanna Nehal , Jain Hasmukh , Bagal Bhausaheb , Epari Sridhar , Singh Priya , Sengar Manju , Laskar Siddharth 
Published: August 2020

AbstractBackgroundPrimary lymphomas involving the female genital tract are rare, and those arising from cervix are extremely uncommon. They are often misdiagnosed because of their rarity.Methods and casesThe treatment and clinical outcomes of the four cases treated at our institution were compared with the previously published studies. Written informed consent was taken. We highlight four cases of primary diffuse large B‐cell lymphoma of cervix treated at our institution with immunochemotherapy and radiotherapy. The mean age was 50 years (range, 39‐62 years). Three patients had stage I disease while one had stage II disease. All the patients were in complete remission following treatment with immunochemotherapy and radiation therapy. The average disease free survival was 20 months (range, 8‐43 months). None of the patients had any local or systemic relapse.ConclusionThese cases highlight the physicians to be aware of this entity as their management, natural history and prognosis is completely different from squamous carcinomas of the cervix. Surgery should not be attempted in these patients. Immunochemotherapy and radiotherapy results in favorable clinical outcomes.
An integrated model of chronic trauma‐induced insomnia
Authors: Roberge Erika M. , Bryan Craig J. 
Published: August 2020

AbstractInsomnia is the most commonly reported symptom of posttraumatic stress disorder (PTSD), with at least 70% of patients with PTSD reporting disturbed sleep. Although posttraumatic insomnia has traditionally been conceptualized as a consequence of PTSD, it is the most likely symptom to not remit following otherwise successful PTSD treatment. This suggests that the relationship between PTSD and insomnia is more complex, such that they likely share underlying pathological mechanisms and that factors non‐specific to PTSD maintain chronic trauma‐induced insomnia. Although several theories and hypotheses have been presented to explain the relationship between PTSD and insomnia, neurobiological and psychological models have not been integrated, thereby limiting their comprehensiveness and abilities to inform effective intervention. Further, existing models have not addressed how acute trauma‐induced insomnia becomes chronic. The present review examined models of PTSD and insomnia separately, as well as existing theorized mechanisms of their co‐morbidity. The distinct characteristics of trauma‐induced insomnia were also reviewed and presented to describe the unique clinical presentation of trauma‐induced insomnia. Review and integration of the literature were used to propose an integrated model of chronic trauma‐induced insomnia informed by a neuropsychobiological framework. Clinical implications and future research directions are presented and discussed.