bluuebunny/crossref_metadata_2025 huggingface dataset:
Leadership Effects on Teacher Morale
Authors: West Stephanie
Published: March 2020

This integrated reflection examines leadership effects on teacher morale. Leadership styles can have a positive or negative influence on the culture and climate of a classroom, school, or district. Hoyt and Price (2015) stated that leaders need to use their core values and keep in mind their relationships with those that follow them when making decisions that change or affect the organizational climate, culture, vision, and goals. To be effective, leaders must merge their social roles within an organization, along with their ethical core values to build efficient and effective organizations that will be productive and prosperous within their given fields. By aligning these models, Schon’s (1983) Reflective Practitioner Model and Dewey’s (1909) Reflective Thinking Model, the integrated reflection of this paper will examine the role that leadership styles play in developing a positive school culture that builds up teacher and staff morale and where students of all ages are able to achieve and grow academically. This reflection will show how leadership styles, positive and negative, can affect one individual, how the leadership concepts learned as a doctoral student led me to become a better adjunct professor within the College of Education, and the leadership skills I gained that I plan to take with me as I move forward in my career as an educator and leader.
Developing Professional Identity: A Reflection on Practice in a Developing Role
Authors: Johnson Terila
Published: March 2020

The purpose of this reflection on practice was to reflect on how my professional identity developed through supporting dissertation chairs within the evolving supervisory and coaching aspects of becoming a research specialist. The conceptual lenses for this reflection were derived from strands of research on reflective practice, professional identity, and doctoral supervision. By reflecting on a supervising and coaching process as a research specialist, I offer insight into the dynamics of professional identity within a changing profession. This fulfills the need to understand the changing aspects of a profession by reflecting on the development of professional identity, given the supervisory and coaching aspects as a research specialist in the doctoral college are constantly evolving. A collaborative partnership was formed between several dissertation chairs and myself with regard to learners, which in turn has served as a basis for future interactions. Future reflections on practice using alternative models and other practices as a research specialist will help to strengthen my professional identity and practice.
An analysis on the optimum location of fire department based on ambulance dispatch situation—A case study in Utsunomiya City
Authors: Suzuki Tatsuya , Satoh Eiji
Published: March 2020

The purpose of this study is to analyze the optimum location of fire departments. The idea of this research is to minimize the response time by confirming emergency services dispatched and absence situations. The method of analysis is the calculation of average response times using the optimization algorithm containing a dispatch simulation. We calculated the results by using actual past dispatch data. The results show that the median model shortened traveling distances by about 367m and the simulation model shortened distances by about 438m as compared with the current location.
Intersectionality
Authors: Al‐Hindi Karen Falconer
Published: March 2020

Intersectionality (as a concept) originated in the experiences of women of color, those of black American feminist thinkers of the late nineteenth century prominent among them. More recently, it germinated in collaborative work undertaken by women of color in the American civil and women's rights movements of the 1960s. It bloomed in the 1990s and has since transformed theory, methodology, and teaching around social and spatial issues of human difference and disadvantage.
Intersectionality
refers to lives lived, and the knowledge that arises from the intersections of social structures, such as race, class, ability, and gender, that have the potential to oppress. The social and intellectual contexts from which intersectionality comes are key to understanding and using it. The concept has become central to research, activism, and teaching in a number of fields, including feminist geography. Important scholarly debates, applications, and further developments are ongoing. Insights from work by and on Third World Women are especially exciting.
Military Geography
Authors: Woodward Rachel
Published: March 2020

Military geography explores how militarism and military activities are geographically constituted and expressed, seeing these as the outcome of social relations and political contestation. Military geography focuses on the spatialities of military power at a range of scales. It is attentive to the effects of military power and activities in places, and is concerned with the environmental impacts of military practices, both materially and discursively. Military geography also explores the ways in which landscapes are reproduced, represented, and experienced as a consequence of military activities and perspectives.
Qualitative Data
Authors: Hay Iain
Published: March 2020

Against the backdrop of mounting skepticism about scientism in the social sciences over the past 40 years, qualitative data has achieved a new prominence in human geography. Geographers have become increasingly attentive to the ways people make sense of the places they inhabit and to their understandings of the meaning of action. After first defining qualitative data and setting out some of the forms it takes, this entry discusses a variety of issues surrounding qualitative data collection, trustworthiness, and analysis in human geography. It also discusses some of the powers and liabilities of qualitative data, including consideration of the crisis of representation. The entry concludes by pointing to future challenges that new work on areas such as affect, performativity, and nonrepresentational theory in human geography present for our understandings of qualitative data collection, analysis, and communication.
Constructing3‐D GIS
Authors: Yano Keiji , Yoshitomi Paul
Published: March 2020

This entry provides an elucidated overview of 3‐D GIS data structure and 3‐D GIS data acquisition, while introducing the latest technologies and several 3‐D city models. Many attempts have been made to convert 2‐D maps into 3‐D maps. Thanks to the shift toward GIS technology and the development of methods for acquiring new 3‐D data, detailed 3‐D city models can now be constructed. With the appearance of Google Earth and CityEngine, further enhancement of virtual geographical environments using 3‐D GIS can be anticipated.
Aid
Authors: Essex Jamey
Published: March 2020

Aid is the transfer of goods, services, and other resources on concessionary but often conditional terms, typically as a form of development or humanitarian assistance. Aid functions through complex networks of official state, intergovernmental, and multilateral institutions, mostly but not entirely in the Global North, working alongside a wide array of private, nongovernmental, and philanthropic organizations and actors. Historically, aid has been closely associated with donor state strategies of national security and has been an important instrument of statecraft and foreign policy. The Cold War's end and the widespread adoption of neoliberal policy approaches have significantly altered the global aid system. Contemporary geographies of aid are shaped by increased South–South connections and flows, the growing role of nonstate actors in aid provision and governance, and the inclusion of social and environmental objectives in aid programs. Critics contend that aid remains heavily politicized, largely ineffective, and centered on donors rather than recipients.
Negative Emissions Technologies
Authors: Bellamy Rob
Published: March 2020

Negative emissions technologies (NETs) have been proposed for removing carbon dioxide directly from the atmosphere in order to moderate global warming. This entry describes the different ideas that exist under the category and traces the origins of the concept before examining their potential contribution to keeping global warming below 1.5°C, their technical readiness, and estimated costs. It then discusses some of the risks that NETs may pose and two common governance concerns about NETs research, development, demonstration, and deployment: that research may be a “slippery slope” to undesirable deployment, and that research and/or actual deployment of NETs may create a “moral hazard” whereby the reduction of greenhouse gas emissions is either delayed or deterred. The entry then reflects on how geography as a discipline has thus far only rarely engaged with NETs, and sets out some directions for productive geographical research into the topic.
The Belt and Road Initiative
Authors: Dunford Michael , Liu Weidong
Published: March 2020

China's Belt and Road initiative (BRI) is a call for an open and inclusive model of sustainable international economic, political, and cultural cooperation and development that draws on the cultural connotations of the ancient Silk Road(s). The aim is to establish a new type of international relations centered on win–win cooperation and common development achieved through the advancement of connectivity in a multiplicity of fields and to contribute to the creation of a community with a shared future. This entry outlines the evolution of the BRI, its relationship to changing conditions in China and the world, and its multilateral financial architecture. Attention is then paid to criticisms of the BRI and recent reform initiatives.
Geography Education: Research Frontiers and Priorities
Authors: Solem Michael
Published: March 2020

The Road Map for 21st Century Geography Education in the United States was an initiative to identify priorities for research, professional development, and assessment at all levels of geography education. Since the publication of the Road Map Project's research agenda, an interdisciplinary network of researchers has worked to implement multiple lines of research supporting the Road Map Project's recommendations. This entry reviews this network's engagement with the concept of transformative research in an effort to improve the rigor, quality, and value of research in geography education.
Development of Highly Sensitive Ethane Gas Sensor Based on 3D WO3 Nanocone Structure Integrated with Low‐Powered In‐Plane Microheater and Temperature Sensor
Authors: Adib Md Ridwan , Kondalkar Vijay V. , Lee Keekeun
Published: March 2020

Metal oxide nanostructures are the most promising materials for the fabrication of advanced gas sensors over two decades. Especially, reliable responsivity and selectivity for various harmful gases are the main requirements for the future chemiresistive‐type gas sensors. Here, a 3D nanocone (NC) of WO3 for a real‐time ethane (C2H6) gas sensor is reported. A compact WO3 nanoparticles thin film deposited on the sensor interdigitate electrodes (IDEs) by using radio frequency (RF) sputter and subsequently, WO3 thin film is converted into highly ordered 3D NC with simple monolayer of polystyrene. An in‐plane microheater integrated with a temperature sensor is also developed here in which the heater, temperature sensor, and the gas sensor share the same plane instead of a conventional vertical structure where the microheater and the sensor IDE are placed one above the other. Prior to the fabrication, COMSOL simulations are carried away to predict the heater performance and surface charge densities of the NC structures. A comparative study between the planar WO3 and highly ordered 3D NC WO3 in sensor response has been conducted. The fabricated sensors (planar WO3) and 3D NC WO3 show a high response ΔR/R (%) of 44% and 52% to 100 ppm of ethane at 200 °C respectively.
Plasmonic Nanoparticles in Dielectrics Synthesized by Ion Beams: Optical Properties and Photonic Applications
Authors: Li Rang , Pang Chi , Li Ziqi , Chen Feng
Published: March 2020

The zero‐dimensional metallic nanoparticles (NPs) have attracted tremendous attention in various areas owing to the collective oscillation of electron gas that couples with electromagnetic field, known as localized surface plasmon resonance (LSPR). In practical applications, the tailoring of LSPR effect is of significant importance for promising photonic devices with designed nanocomposite systems and enhanced optical properties. Ion beam technology has been demonstrated to be an efficient method to fabricate NPs embedded in dielectrics for LSPR tailoring and material modification. By manipulating the parameters of ion beams, the shape, size, and structure of NPs can be well controlled, which enables the dielectrics to possess novel linear and nonlinear optical properties. In this review, the latest research progress on the ion beam synthesis of various NPs is systematically summarized. The tailoring of linear and nonlinear optical properties of dielectrics by NPs is discussed in detail. Selected applications are presented to indicate the development of the plasmonic NPs in dielectric systems for photonic applications.
The optimal plant density of maize for dairy cow forage production
Authors: Han Kun , Liu Baoshen , Liu Peng , Wang Zhonghua
Published: March 2020

Whole maize (Zea mays L.) plant (WMP) silage is an important feed for dairy cows. In northern China, yields and feed quality are adjusted by modifying the planting density. This paper is the result of a 2‐yr field study aimed at determining the effects of plant density on maize silage yield and quality. Five planting densities (52,500, 60,000, 67,500, 75,000, and 82,500 plants ha−1) were used. The results showed that plant height and leaf area increased, while stem diameter, chlorophyll, and leaf area per plant decreased with increasing plant density. Both the biomass yield, expressed as the dry matter (DM) per ha, and the utilizable energy yield improved when the density was increased from 67,500 to 75,000 plants ha−1, but increasing the density further reduced these values. The highest observed DM were 17,734 kg ha−1 and 17,055 kg ha−1, and total net energy for lactation (NEL) were 104.1 GJ ha−1 and 97.0 GJ ha−1 in 2017 and 2018, respectively. Feeding quality generally decreased with increasing plant density. The plant density which obtained the highest biomass yield was not the same as the plant density for optimizing feeding production. Compared with the highest predicted DM yields, the highest predicted total NEL yields increased the grading index by 4–9%, which indicated an improvement in forage quality. Total NEL yield is more efficient for the purpose of evaluating the productivity of WMP forage than biomass yield.
Multiscale modeling and multiobjective control of wood fiber morphology in batch pulp digester
Authors: Choi Hyun‐Kyu , Kwon Joseph S.‐I.
Published: March 2020

Even though it is widely known that mechanical properties of papers are dependent upon fiber morphology such as fiber length and cell wall thickness, existing macroscopic models are limited in describing the microscopic traits of pulp. Thus, we proposed a multiscale model by integrating a macroscopic model (i.e., Purdue model) and a microscopic model (i.e., kinetic Monte Carlo algorithm) to capture the dynamic evolution of the fiber morphology as well as conventional pulp quality index such as Kappa number. Then, a reduced‐order model is identified to handle the computational requirement of the multiscale model, and implemented to a model‐based controller to regulate both the fiber length and the Kappa number which are expressed in the forms of conflicting objective functions. The epsilon‐constraint method is employed to find the Pareto optimal sets to provide decision makers with the degree of freedom to choose one according to their preferred end‐use paper properties.
Sensitivity‐Enhanced 13C‐NMR Spectroscopy for Monitoring Multisite Phosphorylation at Physiological Temperature and pH
Authors: Alik Ania , Bouguechtouli Chafiaa , Julien Manon , Bermel Wolfgang , Ghouil Rania , Zinn‐Justin Sophie , Theillet Francois‐Xavier
Published: March 2020

Abundant phosphorylation events control the activity of nuclear proteins involved in gene regulation and DNA repair. These occur mostly on disordered regions of proteins, which often contain multiple phosphosites. Comprehensive and quantitative monitoring of phosphorylation reactions is theoretically achievable at a residue‐specific level using 1H‐15N NMR spectroscopy, but is often limited by low signal‐to‐noise at pH>7 and T>293 K. We have developed an improved 13Cα‐13CO correlation NMR experiment that works equally at any pH or temperature, that is, also under conditions at which kinases are active. This allows us to obtain atomic‐resolution information in physiological conditions down to 25 μm. We demonstrate the potential of this approach by monitoring phosphorylation reactions, in the presence of purified kinases or in cell extracts, on a range of previously problematic targets, namely Mdm2, BRCA2, and Oct4.
Improving the fire performance and smoke suppression of expandable polystyrene foams by coating with multi‐dimensional carbon nanoparticles
Authors: Cao Bo , Yu Ting , Sun Jun , Gu Xiaoyu , Liu Xiaodong , Li Hongfei , Fei Bin , Zhang Sheng
Published: March 2020

Expandable graphite (EG) and modified multi‐wall carbon nanotubes (ATH‐MWNT) were introduced to expandable polystyrene (EPS) foams in order to improve its fire performance. The fire performance of EPS foams was evaluated by limiting the oxygen index (LOI), vertical burning (UL‐94), and cone calorimetry tests. The results showed that the presence of 14.3% EG and 4.1% ATH‐MWNT increased the LOI value from 18.0 to 30.3%, upgraded the UL‐94 rating from no rating to V‐0, completely eliminated melt dripping, and significantly decreased the peak heat release rate from 933 to 177 kW/m2. Thermal analysis indicated that the thermal stability and char formation were improved by the presence of flame retardants. The char morphology was characterized by scanning electronic microscopy (SEM). It was suggested that the presence of EG and ATH‐MWNT could form integrated char layers during combustion, which was beneficial to the formation of an intumescent protective char structure.
The effect of crystal polymorphism of ferroelectric copolymer vinylidene fluoride‐hexafluoropropylene on its high‐voltage polarization
Authors: Kochervinskii Valentin V. , Malyshkina Inna A. , Kiselev Dmitry A. , Ilina Tatiana S. , Kozlova Nina V. , Shmakova Nina A. , Korlyukov Alexander A. , Gradova Margaret A. , Bedin Sergey A.
Published: March 2020

Dielectric response of vinylidene fluoride‐hexafluoropropylene copolymer, crystallized in different polymorph modifications, to a high‐voltage electric field was studied. Polarization switching at high electric fields below coercive was detected. It was found that crystallization of the copolymer predominantly in nonpolar α‐phase is accompanied by more intensive growth of electric displacement at polarization. For the sample with higher content of polar γ‐phase, the value of high‐voltage conductivity “anomalously” decreased with increasing field at fields above coercive. The data on the field dependences of the remnant polarization showed that this should be attributed to an increase of the effective capture cross section of deep traps of γ‐phase polar planes for impurity and injected carriers. X‐ray diffraction has revealed the field‐induced transition of a part of the chains of the amorphous phase to the crystal.
Noninferiority Trials to Evaluate Drug Effects in Rheumatoid Arthritis
Authors: Rothwell Rebecca , Nikolov Nikolay P. , Maynard Janet W. , Levin Gregory
Published: March 2020

Objective

The increased availability of highly effective treatments in rheumatoid arthritis (RA) necessitates a reexamination of study designs evaluating new treatments. We undertook this study to discuss possible specifications and considerations of noninferiority (NI) trials assessing drug effects in RA.

Methods

We focused on the use of approved tumor necrosis factor inhibitors (TNFi) as potential active controls and reviewed previous placebo‐controlled studies. We summarized the similarities in baseline characteristics and study design of the historical placebo‐controlled studies used. After performing meta‐analyses to estimate the effects of TNFi on symptoms, physical function, and radiographic progression in RA, we proposed NI margins and evaluated the feasibility of NI trials in this therapeutic setting.

Results

We determined that an NI trial comparing an experimental treatment to a TNFi using the symptomatic end point of the American College of Rheumatology 20% improvement criteria response can feasibly provide evidence of a treatment effect, with a 12% absolute difference as one possible appropriate NI margin. For change from baseline in the Health Assessment Questionnaire disability index score, reasonable margins range from 0.10 to 0.12. In evaluating radiographic progression, an appropriate margin and the corresponding feasibility of the trial are dependent on the selected active control and the expected variability in progression.

Conclusion

Active‐controlled studies in RA with justified NI margins can provide persuasive evidence of treatment effects on symptomatic, functional, and radiographic end points. Such studies can also provide reliable, controlled safety data and relevant information for treatment decisions in clinical practice. Thus, we recommend considering NI designs in future clinical trials in RA.
Subtelomeres as Specialized Chromatin Domains
Authors: Hocher Antoine , Taddei Angela
Published: March 2020

Specificities associated with chromosomal linearity are not restricted to telomeres. Here, recent results obtained on fission and budding yeast are summarized and an attempt is made to define subtelomeres using chromatin features extending beyond the heterochromatin emanating from telomeres. Subtelomeres, the chromosome domains adjacent to telomeres, differ from the rest of the genome by their gene content, rapid evolution, and chromatin features that together contribute to organism adaptation. However, current definitions of subtelomeres are generally based on synteny and are largely gene‐centered. Taking into consideration both the peculiar gene content and dynamics as well as the chromatin properties of those domains, it is discussed how chromatin features can contribute to subtelomeric properties and functions, and play a pivotal role in the emergence of subtelomeres.
Cell function profiling to assess clone stability
Authors: Dobson Paul D. , Coss Karen P. , Doherty Carolanne , Clifford Jerry , Thompson Ben , James David C.
Published: March 2020

In cell line development the identification of stable Chinese hamster ovary cells for production is a critical but onerous task. The stability trial focus upon high‐level attributes can mask profound underlying cellular changes, leading to unstable clones mistakenly being chosen for production. The challenge is to assay underlying cell pathways and subsystems without pushing up cell line development costs. ChemStress® cell function profiling is a simple, multiwell plate‐based assay that uses a panel of active chemicals to mimic known bioprocess stresses and challenge key pathways. After 3 days of static culture on the plate, functional responses are assayed, for example, titer and growth. Here this approach is used to monitor 131 clones as they change over real stability trials. A novel stability metric is defined over the data to identify stable clones that remain unperturbed across many components of cell function. This allows stability trials to look beneath the titer to identify clones that are internally more stable.
Experiences of implant loss after immediate implant-based breast reconstruction: qualitative study
Authors: Mahoney B , Walklet E , Bradley E , Thrush S , Skillman J , Whisker L , Barnes N , Holcombe C , Potter S
Published: March 2020

Background

Immediate implant-based breast reconstruction (IBBR) is the most commonly performed reconstructive procedure in the UK, but almost one in ten women experience implant loss and reconstructive failure after this technique. Little is known about how implant loss impacts on patients' quality of life. The first phase of the Loss of implant Breast Reconstruction (LiBRA) study aimed to use qualitative methods to explore women's experiences of implant loss and develop recommendations to improve care.

Methods

Semistructured interviews were conducted with a purposive sample of women who experienced implant loss after immediate IBBR, performed for malignancy or risk reduction across six centres. Interviews explored decision-making regarding IBBR, and experiences of implant loss and support received. Thematic analysis was used to explore the qualitative interview data. Sampling, data collection and analysis were undertaken concurrently and iteratively until data saturation was achieved.

Results

Twenty-four women were interviewed; 19 had surgery for malignancy and five for risk reduction. The median time between implant loss and interview was 42 (range 22–74) months. Ten women had undergone secondary reconstruction, two were awaiting surgery, and 12 had declined further reconstruction. Three key themes were identified: the need for accurate information about the risks and benefits of IBBR; the need for more information about ‘early-warning’ signs of postoperative problems, to empower women to seek help; and better support following implant loss.

Conclusion

Implant loss is a devastating event for many women. Better preoperative information and support, along with holistic patient-centred care when complications occur, may significantly improve the experience and outcome of care.
Cage Effect on Oxidation of Dimethyl Sulfoxide via Pd2L4 Prolate Spheroids
Authors: Hwang Seo Young , Kim Dongwon , Lee Haeri , Jung Ok‐Sang
Published: March 2020

Self‐assembly of PdX2 (X− = NO3−, BF4−, and CF3SO3−) with 2,6‐bis(4′‐nicotinamidephenoxy)naphthalene (L) forms a series of [Pd2L4]X4 prolate spheroids. The O donors of two Me2SO molecules within the prolate spheroid cage are oriented toward the Pd(II) metal centers. In the presence of H2O2, the nestled Me2SO within the cage is efficiently oxidized to Me2SO2 at room temperature.
Synthesis, Dispersion, and Tribological Performance of Alkyl‐functionalized Graphene Oxide as an Oil Lubricant Additive and Synergistic Interaction with IF‐WS2
Authors: Han Jong‐Seok , Choi Jin‐Yeong , Yoo Min , Lee Chang‐Seop
Published: March 2020

Graphene and inorganic fullerene‐type WS2 structures (IF‐WS2) are two‐dimensional (2D) materials with excellent lubricant property. They reduce the friction between contact surfaces. However, graphene is synthesized as a form of graphene oxide (GO) with a number of oxygen functional groups occurring on the surface, due to which it is difficult to use as a hydrophobic lubricant. Thus, this study synthesized functionalized graphene oxide (FGO) by attaching the alkyl chain to the surface of GO. The synthesized FGO enhanced the lipophilic property due to the alkyl chain. In addition, 1‐methyl‐2,4‐bis(N‐octadecylurea)benzene (MOB) was synthesized and added as a gelator to improve the durability of the dispersion. FGO was synthesized via two‐stage reaction in which the alkyl chain was introduced by reacting with alkyl chloride after modifying GO to NH2‐GO. MOB was synthesized by reacting with octadecylamine and toluene‐2,4‐diisocyanate. To analyze the morphology, microstructure, and functional groups of GO, FGO, and IF‐WS2, scanning electron microscopy, transmission electron microscopy, and Fourier transform‐infrared spectroscopy were performed. To analyze the binding energy, X‐ray photoelectron spectroscopy was performed. X‐ray diffraction and Raman spectroscopy were conducted for crystalline analysis. The synthesized FGO, WS2, and MOB were added to polyalphaolefin4 (PAO4) and distributed via ultrasonic processing. The friction characteristics were analyzed with the four‐ball test and high‐frequency friction/wear tester. The lubricant, which was gelated by adding MOB, maintained dispersion even after 30 days. The wear track size and friction coefficient of PAO4 oil containing 0.1 wt % FGO6, 1 wt % IF‐WS2, and 1 wt % MOB were reduced by 21% and 13%, respectively, compared with those of PAO4 oil lacking the solid lubricant, which verified the improved wear resistance. The characteristics of tribology were also improved due to the synergistic interaction between FGO and IF‐WS2.
Developments in siRNA Modification and Ligand Conjugated Delivery To Enhance RNA Interference Ability
Authors: Maguregui Ander , Abe Hiroshi
Published: March 2020

There is great potential for siRNA in the treatment of diseases through the reduction of damaging protein translation by RNA interference. However, the delivery and cell uptake of siRNA pose a serious problem in its therapeutic application. Methods to overcome this issue include chemical modification of the siRNA duplex to improve pharmacokinetics, stability and efficacy, and conjugation to small ligand molecules to enable membrane penetration, targetability and potency. In this review, the most common modifications of siRNA will be discussed, along with ligand conjugates that are believed to be the most promising in advancing the field of targeted siRNA delivery.
Substrate Recognition and Catalytic Mechanism of the Phosphate Acyltransferase PlsX from Bacillus subtilis
Authors: Jiang Yiping , Qin Mingming , Guo Zhihong
Published: March 2020

Phosphate: acyl‐acyl carrier protein (ACP) acyltransferase PlsX is a peripheral enzyme catalysing acyl transfer to orthophosphate in phospholipid synthesis. Little is known about how it recognises substrates and catalyses the acyl transfer. Here we show that its active site includes many residues lining a long, narrow gorge at the dimeric interface, two positive residues forming a positive ACP docking pad next to the interfacial gorge, and a number of strictly conserved residues significantly contributing to the catalytic activity. These findings suggest a substrate recognition mode and a catalytic mechanism that are different from those of phosphotransacetylases catalysing a similar acyl transfer reaction. The catalytic mechanism involves substrate activation and transition‐state stabilization by two strictly conserved residues, Lys184 and Asn229. Another noticeable feature of the catalysis is the release of the acyl phosphate product near the membrane, which might facilitate its membrane insertion.
A Proteolytic Site‐Directed Affinity Label to Inhibit the Human ATP‐Dependent Protease Caseinolytic Complex XP
Authors: Sha Zhou , Chilakala Sujatha , Crabill George , Cheng Iteen , Xu Yan , Fishovitz Jennifer , Lee Irene
Published: March 2020

Human caseinolytic protease component X and P (hClpXP) is a heterooligomeric ATP‐dependent protease. The hClpX subunit catalyzes ATP hydrolysis whereas the hClpP subunit catalyzes peptide bond cleavage. In this study, we generated a peptidyl chloromethyl ketone (dansyl‐FAPAL‐CMK) that inhibited the hClpP subunit through alkylation of the catalytic His122, which was detected by LC‐MS. This inhibitor is composed of a peptide sequence derived from a hydrolyzed peptide product of a substrate cleaved by hClpXP. Binding of FAPAL positions the electrophilic chloromethyl ketone moiety near His122 where alkylation occurs. Dansyl FAPAL‐CMK exhibits selectivity for hClpXP over other ATP‐dependent proteases such as hLon and the 26S proteasome and abolishes hClpXP activity in HeLa cell lysate. Using the fluorogenic peptide substrate FR‐Cleptide as reporter, we detected biphasic inhibition time courses; this supports a slow‐binding, time‐dependent, covalent inhibition mechanism that is often found in active‐site directed affinity labels. Because this inhibitor reacts only with hClpXP but not hLon or the proteasome, it has the potential to serve as a chemical tool to help validate endogenous protein substrates of hClpXP in cell lysate, thereby benefiting investigation of the physiological functions of hClpXP in different cell types or tissue samples.
Fluid shear stress induces Runx‐2 expression via upregulation of PIEZO1 in MC3T3‐E1 cells
Authors: Song Jidong , Liu Liying , Lv Leifeng , Hu Shugang , Tariq Alkhatatbeh , Wang Wei , Dang Xiaoqian
Published: March 2020

Mechanically induced biological responses in bone cells involve a complex biophysical process. Although various mechanosensors have been identified, the precise mechanotransduction pathway remains poorly understood. PIEZO1 is a newly discovered mechanically activated ion channel in bone cells. This study aimed to explore the involvement of PIEZO1 in mechanical loading (fluid shear stress)‐induced signaling cascades that control osteogenesis. The results showed that fluid shear stress increased PIEZO1 expression in MC3T3‐E1 cells. The fluid shear stress elicited the key osteoblastic gene Runx‐2 expression; however, PIEZO1 silencing using small interference RNA blocked these effects. The AKT/GSK‐3β/β‐catenin pathway was activated in this process. PIEZO1 silencing impaired mechanically induced activation of the AKT/GSK‐3β/β‐catenin pathway. Therefore, the results demonstrated that MC3T3‐E1 osteoblasts required PIEZO1 to adapt to the external mechanical fluid shear stress, thereby inducing osteoblastic Runx‐2 gene expression, partly through the AKT/GSK‐3β/β‐catenin pathway.
Bioaccessibility of phenolic compounds in common beans (Phaseolus vulgaris L.) after in vitro gastrointestinal digestion: A comparison of two cooking procedures
Authors: Cárdenas‐Castro Alicia P. , Pérez‐Jiménez Jara , Bello‐Pérez Luis A. , Tovar Juscelino , Sáyago‐Ayerdi Sonia G.
Published: March 2020

Background and objectives

Beans (Phaseolus vulgaris L.) are widely consumed, but the bioaccessibility of their phenolic compounds (PCs) may be affected by different factors. Within this framework, an in vitro gastrointestinal digestion of two bean varieties: “Azufrado” and “Negro Jamapa,” was performed and the bioaccessibility and in vitro release kinetics of PC was evaluated. Mashed beans were prepared by two common culinary procedures in Mexico: pressure cooking followed by mashing, and pressure cooking and mashing, followed by frying.

Findings

The bioaccessibility of PC was about 50% in the cooked samples and 30% in cooked‐fried samples. The cooking condition did not modify the PC release kinetics during the first 60 min in any of the bean preparations. Three PCs were identified by HPLC‐DAD‐MS: kaempferol‐3‐O‐glucoside, quercetin‐3‐O‐glucoside, and chlorogenic acid, which was the main PC released from all samples.

Conclusions

Simulated gastrointestinal digestion revealed processing‐related differences in the PC bioaccessibility in these two bean varieties, which should be further considered and evaluated in nutritional studies.

Significance and novelty

The study is in line with current approaches for assessing PC bioaccessibility during the gastrointestinal digestion, providing knowledge on the types and quantities of PC released from the food matrix of beans as eaten.
Pure red cell aplasia and amegakaryocytic thrombocytopenia in thymoma: The uncharted territory
Authors: Dragani Matteo , Andreani Giacomo , Familiari Ubaldo , Marci Valerio , Rege‐Cambrin Giovanna
Published: March 2020

Association between thymoma and pure red cell aplasia is already well‐documented in literature whereas acquired amegakaryocytic thrombocytopenia is rarely reported. In this case, even with the addition of eltrombopag to standard immunosuppression, the cytopenias did not improve, probably due to the lack of surgical resection of the tumor.
Amantadine intoxication despite moderate renal dysfunction: A case of combined use with donepezil
Authors: Okada Kouji , Uno Takashi , Utsumi Miho , Usui Kensuke , Nakamura Masashi , Nakashima Ichiro , Suzuki Eiji , Watanabe Yoshiteru
Published: March 2020

Amantadine intoxication occurred despite moderate renal dysfunction. This may have been affected by the use of donepezil, and we require careful attention to these combinations.
Penetrating thoracoabdominal injuries from multiple‐spiked spear stabbing: Case report and literature review
Authors: Muchuweti David , Muguti Edwin
Published: March 2020

Penetrating thoracoabdominal injuries carry high morbidity and mortality. Concurrent clinical evaluation and resuscitation followed by early surgery are associated with good outcome. In a resource‐limited setting, plain X‐rays are valuable in surgery planning. Impalement objects must only be removed at surgery.
Electrochemical Formation of Cinnamaldehyde by the Electrolyte System N,N‐Diisopropylethylamine and 1,1,1,3,3,3‐Hexafluoropropan‐2‐ol
Authors: Imada Yasushi , Okada Yohei , Chiba Kazuhiro
Published: March 2020

The use of a supporting electrolyte has been a significant issue in electro‐organic chemistry because it can be wasteful and increase steps in terms of separation from target products. However, it is ideal for an electrolyte to play multiple roles in reactions, for example, as a feedstock or catalyst. We have discovered that the combination of N,N‐diisopropylethylamine (DIPEA) and 1,1,1,3,3‐hexafluoropropan‐2‐ol (HFIP) not only works as an electrolyte but also facilitates the electrochemical formation of cinnamaldehyde from benzaldehydes. We demonstrate that the synthesis of 20 cinnamaldehyde derivatives can be achieved by using this reaction. Isotope‐labeling experiments and 13C NMR investigations revealed the mechanistic aspects of this process, and confirmed that DIPEA is the C2 synthon of acetaldehyde and HFIP could also function as a Brønsted acid.
Reactivity of Diarylnitrenium Ions
Authors: Kütt Agnes , Jeschke Gunnar , Toom Lauri , Nerut Jaak , Reed Christopher A.
Published: March 2020

Hydride abstraction from diarylamines with the trityl ion is explored in an attempt to generate a stable diarylnitrenium ion, Ar2N+. Sequential H‐atom abstraction reactions ensue. The first H‐atom abstraction leads to intensely colored aminium radical cations, Ar2NH.+, some of which are quite stable. However, most undergo a second H‐atom abstraction leading to ammonium ions, Ar2NH2+. In the absence of a ready source of H‐atoms, a unique self‐abstraction reaction occurs when Ar=Me5C6, leading to a novel iminium radical cation, Ar=N.+Ar, which decays via a second self H‐atom abstraction reaction to give a stable iminium ion, Ar=N+HAr. These products differ substantially from those derived via photochemically produced diarylnitrenium ions.
Modeling Rheological Properties of HDPE Based on Polymerization Kinetics
Authors: Dernbach Maria , Kirsch Julian , Busch Markus
Published: March 2020

A three‐step modeling approach to obtain rheological properties from the kinetics of the metallocene‐catalyzed homopolymerization of ethene is developed. With that, linear as well as slightly branched high‐density polyethylene is investigated. Therefore, a deterministic kinetic model of the metallocene‐catalyzed polymerization of ethene is set up and coupled with a Monte Carlo algorithm to obtain molecular weight distributions and polymeric microstructures. The topological information is used as input for the rheology model to compute linear and non‐linear rheological properties.
Early Drug‐Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors
Authors: Huhn Annissa J. , Gardberg Anna S. , Poy Florence , Brucelle Francois , Vivat Valerie , Cantone Nico , Patel Gaurav , Patel Chirag , Cummings Richard , Sims Robert , Levell Julian , Audia James E. , Bommi‐Reddy Archana , Wilson Jonathan E.
Published: March 2020

EP300 and CBP (KAT3A/3B) are two highly homologous, multidomain, epigenetic coregulators that play central roles in transcription through the acetylation of lysine residues on histones and other proteins. Both enzymes have been implicated in human diseases, especially cancer. From a high‐throughput screen of 191 000 compounds searching for EP300/CBP histone acetyltransferase (HAT) inhibitors, 18 compounds were characterized by a suite of biochemical enzymatic assays and biophysical methods, including X‐ray crystallography and native mass spectrometry. This work resulted in the discovery of three distinct mechanistic classes of EP300/CBP HAT inhibitors, including two classes not previously described. The profiles of an example of each class of inhibitor are described in detail. A subsequent medicinal chemistry effort led to the development of a novel class of orally bioavailable AcCoA‐competitive EP300/CBP HAT inhibitors with in vivo activity. We believe that this work will prove to be a useful guide for other groups interested in the development of HAT inhibitors.
Structure‐Based Design of FXIIIa‐Blockers: Addressing a Transient Hydrophobic Pocket in the Active Site of FXIIIa
Authors: Stieler Martin , Büchold Christian , Schmitt Marisa , Heine Andreas , Hils Martin , Pasternack Ralf , Klebe Gerhard
Published: March 2020

Blood coagulation factor XIII (FXIII, F13) is considered to be a promising target for anticoagulants with reduced bleeding risk because of its unique position in the coagulation cascade downstream of thrombin. However, until now, no potent drug addressing FXIII has been available, indeed no compound has even entered clinical trials yet. In 2013, we published the co‐crystal structure of FXIII in the active state (FXIIIa°), thereby providing a detailed map of the active site for the rational design of potent FXIIIa blockers. Here we report, for the first time, a structure‐based approach to improving the affinity of FXIIIa inhibitors. FXIII was crystallized in complex with a methyl thiazole moiety to address a novel transient hydrophobic pocket close to the catalytic center. By subsequent structure‐based design to rationalize the introduction of an ethyl ester, the potency of the inhibitor was improved significantly compared to that of the parent lead compound. The occupancy of the hydrophobic pocket described here might turn out to be a key step in the development of a potent reversible and orally available FXIIIa blocker.
A hybrid adaptation strategy for reconstruction reflectance based on the given tristimulus values
Authors: Xu Yang , Zhang Congcong , Gao Cheng , Wang Zhifeng , Li Changjun
Published: March 2020

Recently, Cao et al proposed an adaptive weighting method for the training samples for reflectance reconstruction according to both colorimetric and spectral reflectance similarities for a given vector defined by tristimulus values. It was shown the Cao et al method outperforms the other methods including the regression estimation method in terms of multiple evaluation criteria. In this article, motivated by the work of Cao et al, a hybrid weight is introduced, which results in the size of the training samples selected is half of that used by the Cao et al method. Simulation results showed that the proposed method performs equally well as or slightly better than the Cao et al method, but uses less central processing unit time than that used by the Cao et al method. It was also found that about 100 training samples selected is good enough for the proposed method.
Context‐aware pub/sub control method using reinforcement learning
Authors: Kim Joohyun , Hong Seohee , Hong Sengphil , Kim Jaehoon
Published: March 2020

Reinforcement learning (RL) is utilized in a wide range of real‐world applications. Typical applications include single agent‐based RL. However, most practical tasks require multiple agents for cooperative control processes. Multiple‐agent RL demands complicated design, and numerous design possibilities should be considered for its practical usefulness. We propose two RL implementations for a message‐queuing telemetry transport (MQTT) protocol system. Two types of implementations improve the communication efficiency of MQTT: (i) single‐broker‐agent implementation and (ii) multiple‐publisher‐agents implementation. We focused on different message priorities in a dynamic environment for each implementation. The proposed implementations improve communication efficiency by adjusting the loop cycle time of the broker or by learning the message importance. The proposed MQTT control scheme improves the battery efficiency of Internet‐of‐Things (IoT)‐based devices with relatively insufficient battery power.
The Effect of Phenyl Substitutions on Microstructures and Dynamics of Tetraalkylphosphonium Bis(trifluoro‐ methylsulfonyl)imide Ionic Liquids
Authors: Wang Yong‐Lei , Li Bin , Laaksonen Aatto , Yuan Jiayin
Published: March 2020

Extensive atomistic simulations demonstrated that a gradual substitution of hexyl chains with phenyl groups in tetraalkylphosphonium cations results in remarkable changes in hydrogen bonding interactions, liquid structures and scattering structural functions, and rotational dynamics of hexyl chains and phenyl groups in tetraalkylphosphonium bis(trifluoromethylsulfonyl)imide ionic liquids. Hydrogen donor sites in hexyl chains present competitive characteristics with those in phenyl groups in coordinating anions, as well as their continuous and intermittent hydrogen bonding dynamics. Cation‐cation and anion‐anion spatial correlations show concomitant shift to short distances with decreased peak intensities with variations of cation structures, whereas cation‐anion correlations have a distinct shift to large radial distances due to decreased associations of anions with neighboring cations. These microstructural changes are qualitatively manifested in shifts of prominent peaks for prevalent charge alternations and adjacency correlations between ion species in scattering structural functions. Meanwhile, rotational dynamics of hexyl chains speed up, which, in turn, slow down rotations of phenyl groups, whereas anions exhibit imperceptible changes in their rotational dynamics. These computational results are intrinsically correlated with conformational flexibilities, molecular sizes, and steric hindrance effects of phenyl groups in comparison with hexyl chains, and constrained distributions of anions around cations in heterogeneous ionic environments.
Opioid use disorder and youth: Agonists recommended
Authors: Knopf Alison
Published: March 2020

Extreme concern about opioid overdoses and overdose deaths among young people is dovetailing with solutions — in particular, expanding treatment with buprenorphine and methadone for this population. Expansion of treatment for adolescents and young adults — ages 15 to 25 — with opioid use disorders (OUDs) is critical, researcher after researcher has written. But there has been a reticence by parents in particular, and even by some clinicians, about prescribing buprenorphine, a Schedule III opioid, to young people, or to sending them to an opioid treatment program (the only kind of facility in the United States where methadone can be dispensed for OUD). Both medications can be given to youth as young as 16.