bluuebunny/crossref_metadata_2025 huggingface dataset:
Ambient Synthesis of Single‐Atom Catalysts from Bulk Metal via Trapping of Atoms by Surface Dangling Bonds
Authors: Qu Yunteng , Wang Liguang , Li Zhijun , Li Peng , Zhang Qinghua , Lin Yue , Zhou Fangyao , Wang Huijuan , Yang Zhengkun , Hu Yidong , Zhu Mengzhao , Zhao Xuyan , Han Xiao , Wang Chengming , Xu Qian , Gu Lin , Luo Jun , Zheng Lirong , Wu Yuen
Published: September 2019

Single‐atom catalysts (SACs) feature the maximum atom economy and superior performance for various catalysis fields, attracting tremendous attention in materials science. However, conventional synthesis of SACs involves high energy consumption at high temperature, complicated procedures, a massive waste of metal species, and poor yields, greatly impeding their development. Herein, a facile dangling bond trapping strategy to construct SACs under ambient conditions from easily accessible bulk metals (such as Fe, Co, Ni, and Cu) is presented. When mixing graphene oxide (GO) slurry with metal foam and drying in ambient conditions, the M0 would transfer electrons to the dangling oxygen groups on GO, obtaining Mδ+ (0 < δ < 3) species. Meanwhile, Mδ+ coordinates with the surface oxygen dangling bonds of GO to form MO bonds. Subsequently, the metal atoms are pulled out of the metal foam by the MO bonds under the assistance of sonication to give M SAs/GO materials. This synthesis at room temperature from bulk metals provides a versatile platform for facile and low‐cost fabrication of SACs, crucial for their mass production and practical application in diverse industrial reactions.
Encapsulating Carbon‐Coated MoS2 Nanosheets within a Nitrogen‐Doped Graphene Network for High‐Performance Potassium‐Ion Storage
Authors: Zhang Jingyuan , Cui Peixin , Gu Ying , Wu Dajun , Tao Shi , Qian Bin , Chu Wangsheng , Song Li
Published: September 2019

Potassium‐ion batteries are emerging as promising candidates for grid energy storage systems because of the abundant potassium resources and high potential. However, the discovery and development of suitable anode materials are far from the demands. Herein, ultrafine carbon‐coated MoS2 (MoS2/C) nanosheets encapsulated by a nitrogen‐doped graphene network (MoS2/C@NDG) via a simple hydrothermal method are presented. The as‐prepared MoS2/C@NDG demonstrates superior rate capability of 176.6 mAh g‐1 at a high current density of 2000 mA g‐1, and still remains 220.7 mAh g‐1 at 1000 mA g‐1 after 150 cycles. The excellent electrochemical performance can be attributed to the dual carbon encapsulated nanostructure and ultrafine 2D MoS2 nanosheet architecture, resulting in enhanced electronic conductivity, fast K+‐ion diffusion, and improved pseudocapacitive behavior during the depotassiation and potassiation process. Ex situ XRD and XAFS analysis reveals the K+‐storage mechanism with potassium intercalation and conversion reaction, and demonstrates the high reversibility for the local structure of MoS2/C@NDG. This work paves the way for constructing advanced high‐performance anode materials of rechargeable PIBs.
Does sexual dimorphism exist in flowering phenology traits in anemophilous dioecious species? A test with Rumex acetosa
Authors: Matsuhisa Seiko , Ushimaru Atushi
Published: September 2019

Premise

Sexual dimorphism in flowering phenology traits may have evolved under sexual selection and vector‐mediated selection. The conspicuous sexual dimorphism and sex‐specific selection pressures in flowering phenology traits have been investigated mainly in entomophilous dioecious plants, whereas little is known about this in anemophilous plants.

Methods

We examined sexual dimorphism in flowering onset, flowering peak, flowering duration, maximum proportion of open flowers per inflorescence branch, maximum proportion of newly opening flowers on a given date per branch, and longevity of individual flowers in natural Rumex acetosa populations. Correlations between flowering phenology traits and the degree of flowering overlap with the opposite sex were examined. We also tested whether the overlap of female flowering with male flowering enhanced seed set in female plants.

Results

Little sexual dimorphism was observed in flowering onset, peak, duration, and maximum proportion of newly opening flowers. Females had greater floral longevity and greater maximum proportion of open flowers than males. Flowering overlap with the opposite sex significantly increased with the maximum proportion of newly opening flowers and decreased with temporal deviation in the flowering peak in both sexes. Females with greater flowering overlap with males set more seeds in two of the three study populations.

Conclusions

In wind‐pollinated R. acetosa, little sexual dimorphism in phenological traits may have evolved to achieve synchronous flowering with the opposite sex. Our results suggest that, in angiosperms, not only common selection but also anemophily‐specific selection may shape little sexual dimorphism in R. acetosa, unlike in entomophilous plants.
Rhodium(I) Pincer Complexes of Nitrous Oxide
Authors: Gyton Matthew R. , Leforestier Baptiste , Chaplin Adrian B.
Published: September 2019

The synthesis of two well‐defined rhodium(I) complexes of nitrous oxide (N2O) is reported. These normally elusive adducts are stable in the solid state and persist in solution at ambient temperature, enabling comprehensive structural interrogation by 15N NMR and IR spectroscopy, and single‐crystal X‐ray diffraction. These methods evidence coordination of N2O through the terminal nitrogen atom in a linear fashion and are supplemented by a computational energy decomposition analysis, which provides further insights into the nature of the Rh–N2O interaction.
Endowing g‐C3N4 Membranes with Superior Permeability and Stability by Using Acid Spacers
Authors: Ran Jin , Pan Ting , Wu Yuying , Chu Chengquan , Cui Peng , Zhang Pengpeng , Ai Xinyu , Fu Cen‐Feng , Yang Zhengjin , Xu Tongwen
Published: September 2019

g‐C3N4 membranes were modulated by intercalating molecules with SO3H and benzene moieties between layers. The intercalation molecules break up the tightly stacking structure of g‐C3N4 laminates successfully and accordingly the modified g‐C3N4 membranes give rise to two orders magnitude higher water permeances without sacrificing the separation efficiency. The sulfonated poly(2,6‐dimethyl‐1,4‐phenylene oxide) (SPPO)/g‐C3N4 with a thickness of 350 nm presents an exceptionally high water permeance of 8867 L h−1 m−2 bar−1 and 100 % rejection towards methyl blue, while the original g‐C3N4 membrane with a thickness of 226 nm only exhibits a permeance of 60 L h−1 m−2 bar−1. Simultaneously, SO3H sites firmly anchor nitrogen with base functionality distributing onto g‐C3N4 through acid–base interactions. This enables the nanochannels of g‐C3N4 based membranes to be stabilized in acid, basic, and also high‐pressure environments for long periods.
Effect of Intermolecular Interactions on Metal‐to‐Metal Charge Transfer: A Combined Experimental and Theoretical Investigation
Authors: Jiao Cheng‐Qi , Meng Yin‐Shan , Yu Yang , Jiang Wen‐Jing , Wen Wen , Oshio Hiroki , Luo Yi , Duan Chun‐Ying , Liu Tao
Published: September 2019

Understanding the effects of intermolecular interactions on metal‐to‐metal charge transfer (MMCT) is crucial to develop molecular devices by grafting MMCT‐based molecular arrays. Herein, we report a series of solvent‐free {Fe2Co2} compounds sharing the same cationic tetranuclear {[Fe(PzTp)(CN)3]2[Co(dpq)2]2}2+ (PzTp−=tetrakis(pyrazolyl)borate, dpq=dipyrido[3,2‐d:2′,3′‐f]quinoxaline) square units but having anions with different size, including BF4−, PF6−, OTf−, and [Fe(PzTp)(CN)3]−. Intermolecular π⋅⋅⋅π interactions between dpq ligands, which coordinate to cobalt ions in the {[Fe(PzTp)(CN)3]2[Co(dpq)2]2}2+ units, can be modulated by introducing different counterions, regulating the distortion of the CoN6 octahedron and ligand field around the cobalt ions. This change results in different MMCT behavior. Computational analyzes reveal the substantial role of the intermolecular interactions tuned by the presence of different counteranions on the MMCT behavior.
Hooking Together Sigmoidal Monomers into Supramolecular Polymers
Authors: Carini Marco , Marongiu Mauro , Strutyński Karol , Saeki Akinori , Melle‐Franco Manuel , Mateo‐Alonso Aurelio
Published: September 2019

Supramolecular polymers show great potential in the development of new materials because of their inherent recyclability and their self‐healing and stimuli‐responsive properties. Supramolecular conductive polymers are generally obtained by the assembly of individual aromatic molecules into columnar arrays that provide an optimal channel for electronic transport. A new approach is reported to prepare supramolecular polymers by hooking together sigmoidal monomers into 1D arrays of π‐stacked anthracene and acridine units, which gives rise to micrometer‐sized fibrils that show pseudoconductivities in line with other conducting materials. This approach paves the way for the design of new supramolecular polymers constituted by acene derivatives with enhanced excitonic and electronic transporting properties.
Titanium(III)‐Catalyzed Reductive Decyanation of Geminal Dinitriles by a Non‐Free‐Radical Mechanism
Authors: Weweler Jens , Younas Sara L. , Streuff Jan
Published: September 2019

A titanium‐catalyzed mono‐decyanation of geminal dinitriles is reported. The reaction proceeds under mild conditions, tolerates numerous functional groups, and can be applied to quaternary malononitriles. A corresponding desulfonylation is demonstrated as well. Mechanistic experiments support a catalyst‐controlled cleavage without the formation of free radicals, which is in sharp contrast to traditional stoichiometric radical decyanations. The involvement of two TiIII species in the C−C cleavage is proposed, and the beneficial role of added ZnCl2 and 2,4,6‐collidine hydrochloride is investigated.
DNA interaction, cytotoxicity and molecular structure of cobalt complex of 4‐amino‐N‐(6‐chloropyridazin‐3‐yl)benzene sulfonamide in the presence of secondary ligand pyridine
Authors: Pandya Sachin B. , Patel Urmila H. , Chaudhary Kaushik P. , Socha Bhavesh N. , Patel Nikita J. , Bhatt Bhupesh S.
Published: September 2019

Novel cobalt complex of 4‐amino‐N‐(6‐chloropyridazin‐3‐yl)benzene sulfonamide (sulfachloropyridazine) has been synthesized and characterized by elemental analysis, FT‐IR spectroscopy and magnetic susceptibility (VSM). Cobalt complex of Sulfachloropyridazine (Co‐SCP) crystallized in monoclinic space group P21/n with Z = 4. The structure is solved by direct method and refined to R = 0.099 for 4720 reflections with I ⩾4σ(I). The results of FT‐IR spectra suggest the binding of cobalt atom to the sulfonamide ligand which is in agreement with the crystal structure determination. In crystal structure, molecule is linked via, C‐H … π, C‐Cl … π and π … π intermolecular interactions. The computational studies like the optimization energy and root means square deviation compare with single crystal structure, frontier molecular orbital (Homo‐Lumo energy) and binding energy of the Co‐SCP has been carried out using DFT/B3LYP level of theory in gaseous phase. Hirshfeld surfaces and the 2D‐fingerprint analysis are performed to study the nature of interactions and their measurable contributions towards crystal packing. The interaction of the complex with DNA is investigated using viscosity measurement and absorption titration studies. The result shows the complex bind to DNA with intercalative mode with high DNA‐binding constant (Kb). Also, in vivo and in vitro cytotoxic studies are performed using S. pombe cells and brine shrimp lethality bioassay. DNA‐cleavage study shows better cleaving ability of the complex.
Biodegradable superabsorbent hydrogel for water holding in soil and controlled‐release fertilizer
Authors: Sarmah Dimpee , Karak Niranjan
Published: September 2019

The bio‐based environment‐friendly functional polymers are the most desired materials for the society. Thus, a superabsorbent hydrogel (SAH) of starch‐modified poly(acrylic acid) was reported and the concentrations of reactants, initiators, and crosslinkers were optimized to achieve the highest water absorption (>700 g/g). The chemical structure of SAH was supported by solid‐state 13C nuclear magnetic resonance and Fourier‐transform infrared spectroscopic studies. The hydrogels were found to be biodegradable and possess high water absorption capacity. After the addition of 0.25% of the hydrogel, water‐holding capacity of the soil was enhanced by 120%. Significant effect was also observed on bulk density and porosity of the soil after the addition of SAH. Furthermore, urea‐encapsulated SAH can be used as a controlled release fertilizer for crops, as indicated by a preliminary study on the growth rate of chick pea (Cicer arietinum) plant. Thus, SAH has the potential to be used as a controlled‐release carrier and water‐conserving agent in different fields. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48495.
Hydrodynamics and dynamic capacity of cryogels produced with different monomer compositions
Authors: Chaves Gabriel Luz , Mól Paula Chequer Gouveia , Minim Valéria Paula Rodrigues , Minim Luis Antonio
Published: September 2019

Cryogels have received great attention in the area of bioseparation due to their characteristic of very large and interconnected pores. These materials allow rapid isolation of various biomolecules and permit that chromatographic processes are carried out at high flow rates. Nevertheless, studies regarding the effect of monomer concentration on the hydrodynamics and dynamic capacity of cryogels are scarce. In this study, supermacroporous polyacrylamide cryogels with different monomer and crosslinker concentrations were produced by cryopolymerization and activated with tris(hydroxymethyl)aminomethane. Porosity and permeability were determined and it was observed that these parameters changed with different monomer concentrations, indicating changes in the structure of the cryogels. Residence time distribution experiments were conducted at different flow rates and different mobile phase viscosities. As a function of composition of the cryogels, the axial dispersion increased and the flow pattern deviated considerably from the ideal plug flow model. For cryogels with lower crosslinker content, the effect of the mobile phase viscosity was more evident. The monomer composition changed the dispersion number and height equivalent to one theoretical plate, resulting in an impact on the adsorption capacity of the cryogel. Consequently, proper monomer and crosslinker concentrations may produce cryogels with suitable performance. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48507.
Glucose‐6‐phosphate dehydrogenase is posttranslationally regulated in the larvae of the freeze‐tolerant gall fly, Eurosta solidaginis, in response to freezing
Authors: Smolinski Michael B. , Green Stuart R. , Storey Kenneth B.
Published: September 2019

The freeze‐tolerant larvae of the goldenrod gall fly (Eurosta solidaginis) undergo substantial alterations to their molecular physiology during the winter including the production of elevated quantities of glycerol and sorbitol, which function as cryoprotectants to survive whole body freezing. Production of these cryoprotectants depends on cytosolic pools of nicotinamide adenine dinucleotide phosphate H (NADPH), a major source being the pentose phosphate pathway (PPP). Glucose‐6‐phosphate dehydrogenase (G6PDH) mediates the rate‐limiting and committed step of the PPP and therefore its molecular properties were explored in larvae sampled from control versus frozen states. G6PDH was purified from control (5°C) and frozen (−15°C) E. solidaginis larvae by a single‐step chromatography method utilizing 2′,5′‐ADP agarose and analyzed to determine its enzymatic parameters. Studies revealed a decrease in Km for G6P in the frozen animals (to 50% of control values) suggesting an increased flux through the PPP. Immunoblotting of the purified enzyme showed differences in the relative extent of several posttranslational modifications, notably ubiquitination (95% decrease in frozen larvae), cysteine nitrosylation (61% decrease), threonine (4.1 fold increase), and serine phosphorylation (59% decrease). Together these data suggested that the increased flux through the PPP needed to generate NADPH for cryoprotectants synthesis is regulated, at least in part, through posttranslational alterations of G6PDH.
Examining the Motivation of Health Profession Students to Study Human Anatomy
Authors: Abdel Meguid Eiman M. , Smith Claire F. , Meyer Amanda J.
Published: September 2019

Students' motivation is a vital determinant of academic performance that is influenced by the learning environment. This study aimed to assess and analyze the motivation subscales between different cohorts (chiropractic, dental, medical) of anatomy students (n = 251) and to investigate if these subscales had an effect on the students' anatomy performance. A 31‐item survey, the Motivated Strategies for Learning Questionnaire was utilized, covering items on intrinsic and extrinsic goal orientation, task value, control of learning belief, self‐efficiency for learning and performance, and test anxiety. First‐year dental students were significantly more anxious than chiropractic students. Second‐year chiropractic students attached more value to anatomy education than second‐year medical students. The outcome of this research demonstrated a significant relationship between first‐ and second‐year chiropractic students between anatomy performance and motivation subscales controlling for gender such as self‐efficacy for learning and performance was (β = 8, CI: 5.18–10.8, P < 0.001) and (β = 6.25, CI: 3.40–9.10, P < 0.001) for first year and second year, respectively. With regards to intrinsic goal orientation, it was (β = 4.02, CI: 1.19–6.86, P = 0.006) and (β = 5.38, CI: 2.32–8.44, P = 0.001) for first year and second year, respectively. For the control of learning beliefs, it was (β = 3.71, 95% CI: 0.18–7.25, P = 0.04) and (β = 3.07, CI: 0.03–6.12, P = 0.048) for first year and second year, respectively. Interventions aimed at improving these motivation subscales in students could boost their anatomy performance.
Adaptive steering‐based HDTC algorithm for PMSM
Authors: Adam Ali Ahmed , Elnady Amr
Published: September 2019

This paper introduces sensorless hysteresis direct torque control for permanent magnet synchronous motors to provide a reduced torque pulsation profile, which leads to a smaller mechanical vibration. The suggested algorithm utilizes the principle of vehicle steering, which continuously fixes the direction of the vehicle in the track. Moreover, the algorithm efficiently employs the output of torque and the output of flux error controllers used in basic hysteresis direct torque control to select two nonzero adjacent vectors. The initial switching time for the selected vectors is determined by a function that considers the absolute magnitude of the torque error and the magnitude of the flux error in addition to the space angle position of the stator flux. To reduce the processing time in the control signal flow, a suggested structure for switching the initial time of the selected vectors is developed. The final switching time of the vectors is adaptively adjusted according to the minimum required stator voltage to drive the load and according to the stored rotor energy that arises due to the inertia of the mechanical load connected to the motor shaft. The simulation results along with the experimental results show a fast dynamic response of torque, relatively reduced torque ripples, and reduced current harmonics compared to the basic hysteresis direct torque control.
The myth of school shooters and psychotropic medications
Authors: Hall Ryan Chaloner Winton , Friedman Susan Hatters , Sorrentino Renee , Lapchenko Maria , Marcus Adeyemi , Ellis Robert
Published: September 2019

There has been an assertion in certain parts of the media, especially social media, that the majority of individuals who have engaged in a school shooting were prescribed psychotropic medications prior to the event. To determine if there is any validity to this assertion, the authors of this article reviewed publicly available information regarding individuals involved in “educational shootings” per FBI publications for active shooters from 2000 to 2017. Sources of information included news reports with official citations, official reports regarding events, available court records, and FBI Freedom of Information Act requests. Secondary data‐points were also collected, such as location, number of weapons used, number of victims, legal outcome, and whether the shooter committed suicide. From the information obtained, it appears that most school shooters were not previously treated with psychotropic medications – and even when they were, no direct or causal association was found.
Scale‐up of a Type I secretion system in E. coli using a defined mineral medium
Authors: Ihling Nina , Uhde Andreas , Scholz Romy , Schwarz Christian , Schmitt Lutz , Büchs Jochen
Published: September 2019

Secretion of heterologous proteins into the culture supernatant in laboratory strains of Escherichia coli is possible by utilizing a Type I secretion system (T1SS). One prominent example for a T1SS is based on the hemolysin A toxin. With this system, heterologous protein secretion has already been achieved. However, no cultivations in a defined mineral medium and in stirred tank bioreactors have been described in literature up to now, hampering the broad applicability of the system. In this study, a mineral medium was developed for cultivation under defined conditions. With this medium, the full potential and advantage of a secretion system in E. coli (low secretion of host proteins, no contamination with proteins from complex media compounds) can now be exploited. Additionally, quantification of the protein amount in the supernatant was demonstrated by application of the Bradford assay. In this work, host cell behavior was described in small scale by online monitoring of the oxygen transfer rate. Scalability was demonstrated by stirred tank fermentation yielding 540 mg/L HlyA1 in the supernatant. This work enhances the applicability of a protein secretion system in E. coli and paves the way for an industrial application.
Direct Enzymatic Synthesis of a Deep‐Blue Fluorescent Noncanonical Amino Acid from Azulene and Serine
Authors: Watkins Ella J. , Almhjell Patrick J. , Arnold Frances H.
Published: September 2019

We report a simple, one‐step enzymatic synthesis of the blue fluorescent noncanonical amino acid β‐(1‐azulenyl)‐l‐alanine (AzAla). By using an engineered tryptophan synthase β‐subunit (TrpB), stereochemically pure AzAla can be synthesized at scale starting from commercially available azulene and l‐serine. Mutation of a universally conserved catalytic glutamate in the active site to glycine has only a modest effect on native activity with indole but abolishes activity on azulene, suggesting that this glutamate activates azulene for nucleophilic attack by stabilization of the aromatic ion.
The Dual Effect of the Acetate Ligand on the Mechanism of the Pd‐Catalyzed C−H/C−H Coupling of Benzene
Authors: Beckers Igor , Henrion Mickaël , De Vos Dirk E.
Published: September 2019

Pd(II)carboxylates have emerged as potent catalysts for the direct coupling of (hetero)aromatics, enabling a two‐fold C−H activation with various oxidants. Yet, prior research on the mechanism of the C−H/C−H coupling without directing group(s) has led to contrasting insights. In this work, a direct effect of acetic acid (AcOH) concentration on the mechanism of Pd‐catalyzed benzene coupling to biphenyl is uncovered. The catalytic cycle was investigated via kinetic isotope effects, H/D exchange experiments and by assessing the reactivity of the Pd(aryl)‐intermediates. The study revealed that the catalytic reaction makes a transition between two dissimilar C−H activation steps: a “concerted metalation‐deprotonation” (CMD) mechanism followed by an electrophilic substitution (SEAr). A dual role of the acetate ligand explains the transition between these mechanisms, mediating the deprotonation via CMD and coordinating on the Pd(II) ion to preclude a SEAr mechanism for the first C−H activation.
Statistical Analysis and Discovery of Heterogeneous Catalysts Based on Machine Learning from Diverse Published Data
Authors: Suzuki Keisuke , Toyao Takashi , Maeno Zen , Takakusagi Satoru , Shimizu Ken‐ichi , Takigawa Ichigaku
Published: September 2019

The front cover artwork for Issue 18/2019 is provided by the groups Ken‐ichi Shimizu group at Hokkaido University (Japan) and Ichigaku Takigawa at RIKEN (Japan). The image shows future catalysis research using artificial intelligence (AI). See the Full Paper itself at https://doi.org/10.1002/cctc.201900971.
Electrocatalyst Derived from Abundant Biomass and its Excellent Activity for In Situ H2O2Production
Authors: Liao Min‐Ji , Wang Yun‐Lu , Li Shi‐Song , Li Jiang‐Feng , Chen Ping
Published: September 2019

Hydrogen peroxide (H2O2) is considered an essential chemical and is widely used in many fields. The in situ electrochemical production of H2O2using oxygen reduction has become promising in H2O2applications because it can reduce the danger and costs of the storage and transportation of H2O2. Developing high‐performance and metal‐free electrocatalysts with cheap and commercially available source materials for in situ H2O2production remains challenging. Here, the N, O‐co‐doped microporous carbons derived from abundant biomass (bean dregs) were prepared by a simple hydrothermal treatment and annealing process. Electrochemical measurement results showed a high selectivity (up to 98 %) of the typical product in 0.1 M KOH, a satisfactory disk current density and a high productivity of H2O2(380 mg L−1 h−1) with an excellent faradaic efficiency (up to 97.0 %), which were achieved through RRDE technology and flow cell. Additionally, the system equipped with a (GDE, containing N‐O‐MC‐750) as the cathode exhibited high performance in removing formaldehyde, and it may have potential application in the treatment of wastewater containing formaldehyde. This method can avoid the danger and costs of the storage and transportation of H2O2. This work is helpful for developing a high‐performance electrocatalyst for the production of H2O2, and for its practical application.
Chemical process fault diagnosis based on enchanted machine‐learning approach
Authors: Yang Xiaohui , Zhou Jingsong , Xie Zihao , Ke Gong
Published: September 2019

In the chemical industry, fault diagnosis is a challenging task due to the complexity of chemical equipment. This paper proposes a machine learning‐based approach to achieve the goal of fault diagnosis. First, in order to reduce the impact of redundant features, support vector machine recursive feature elimination (SVMRFE) is used to select important features. The trained probabilistic neural network (PNN) is then used for fault diagnosis. Considering that the diagnostic performance is affected by its hidden layer element smoothing factor (σ), the modified bat algorithm (MBA) is used to optimize the PNN to obtain optimal global parameter values. The MBA adopts a better optimization mechanism than the basic algorithm and achieves excellent global convergence. It can globally optimize the smoothing factor, which effectively improves the fault diagnosis ability of the PNN. During the testing of the Tennessee Eastman (TE) process data set, we evaluate the performance of the proposed model by comparing the F1‐score and accuracy of the different methods. The charts provided describe the fault diagnostic results and classification for the different models. The results indicate that the MBA has a better optimization ability than other traditional optimization algorithms. At the same time, the combination method proposed in this paper is also superior to others and can significantly improve the accuracy of TE process fault diagnosis.
Electrochemically Active Polymers Using Polypyrrole as an Example: Model System of an Artificial Synapse. An Electrochemical All‐Rounder – Part 2
Authors: Novotny Jana , Wagner Corina , Oetken Marco
Published: September 2019

Die Abscheidungsmethode, die in Freiburg entwickelt wurde, hat gezeigt, wie schnell und einfach in der Schule und Hochschule „künstliche Muskeln“ hergestellt werden können, die sich dann je nach Dotierung unterschiedlich bewegen: Werden eher kleine Anionen dotiert, dominiert auch der Anionenaustausch, während hingegen bei der Dotierung größerer immobiler Anionen eher ein Kationenaustausch stattfindet [1]. Schülerinnen und Schüler sollen allgemein aber auch anhand faszinierender Versuche lernen, wie wichtig es in der Chemie ist, aufgestellte Hypothesen unter Beweis zu stellen. Daher wird in diesem Beitrag besonders das Modell der künstlichen Synapse hervorgehoben, das sowohl nachweist, dass tatsächlich Ionen ein‐ und ausgelagert werden können, als auch einen weiteren wichtigen Anwendungsbereich von Polypyrrol vorstellt.
Modeling distributed forces within cell adhesions of varying size on continuous substrates
Authors: Hou Jay C. , Shamsan Ghaidan A. , Anderson Sarah M. , McMahon Mariah M. , Tyler Liam P. , Castle Brian T. , Heussner Rachel K. , Provenzano Paolo P. , Keefe Daniel F. , Barocas Victor H. , Odde David J.
Published: September 2019

Cell migration and traction are essential to many biological phenomena, and one of their key features is sensitivity to substrate stiffness, which biophysical models, such as the motor‐clutch model and the cell migration simulator can predict and explain. However, these models have not accounted for the finite size of adhesions, the spatial distribution of forces within adhesions. Here, we derive an expression that relates varying adhesion radius (
R) and spatial distribution of force within an adhesion (described by
s) to the effective substrate stiffness (
κsub), as a function of the Young's modulus of the substrate (
E
Y), which yields the relation, , for two‐dimensional cell cultures. Experimentally, we found that a cone‐shaped force distribution (
s = 1.05) can describe the observed displacements of hydrogels deformed by adherent U251 glioma cells. Also, we found that the experimentally observed adhesion radius increases linearly with the cell protrusion force, consistent with the predictions of the motor‐clutch model with spatially distributed clutches. We also found that, theoretically, the influence of one protrusion on another through a continuous elastic environment is negligible. Overall, we conclude cells can potentially control their own interpretation of the mechanics of the environment by controlling adhesion size and spatial distribution of forces within an adhesion.
Incremental feature selection for efficient classification of dynamic graph bags
Authors: Chae Dong‐Kyu , Kim Bo‐Kyum , Kim Seung‐Ho , Kim Sang‐Wook
Published: September 2019

Learning and analyzing graph data is one of the most fundamental research areas in machine learning and data mining. Among numerous graph‐based data structures, this paper focuses on a graph bag (simply, bag), which corresponds to a training object containing one or more graphs, and a label is available only for a bag. This type of a bag can represent various real‐world objects such as drugs, web pages, XML documents, and images, among many others, and there have been many researches on models for learning this type of bag data. Within this research context, we define a novel problem of dynamic graph bag classification, and propose an algorithm to solve this problem. Dynamic bag classification aims to build a classification model for bags, which are presented in a streaming fashion, ie, frequent emerging of new bags or graphs over time. Given such changes made to the bag dataset, our proposed algorithm aims to update incrementally the top‐m most discriminative features instead of searching for them from scratch. Incremental gSpan and incremental gScore are proposed as core parts of our algorithm to deal with a stream of bags efficiently. We evaluate our algorithm on two real‐world datasets in terms of both feature selection time and classification accuracy. The experimental results demonstrate that our algorithm derives an informative feature set much faster than the existing one originally designed for targeting static bag data, with little accuracy loss.
Biocompatible Glycine‐Assisted Catalysis of the Sol‐Gel Process: Development of Cell‐Embedded Hydrogels
Authors: Valot Laurine , Maumus Marie , Montheil Titouan , Martinez Jean , Noël Danièle , Mehdi Ahmad , Subra Gilles
Published: September 2019

The sol‐gel process can be used for hydrogel cross‐linking, thus opening an attractive route for the design of biocompatible hydrogels under soft conditions. The sol‐gel process can be catalysed at basic or acidic pH values, under neutral conditions with the addition of a nucleophile. Therefore, working around pH 7 unlocks the possibility of direct cell embedment and the preparation of bioinks. We aimed to propose a generic method for sol‐gel 3D bioprinting, and first screened different nucleophilic catalysts using bis‐silylated polyethylene glycol (PEG) as a model hydrogel. A synergistic effect of glycine and NaF, used in low concentrations to avoid any toxicity, was observed. Biocompatibility of the approach was demonstrated by embedding primary mouse mesenchymal stem cells. The measure of viscosity as a function of time showed the impact of reaction parameters, such as temperature, complexity of the medium, pH and cell addition, on the kinetics of the sol‐gel process, and allowed prediction of the gelation time.
Frontal brain maturation and the stability of children’s shyness
Authors: Schmidt Louis A. , Poole Kristie L.
Published: September 2019

Recent evidence suggests that relative to nonshy children, shy children exhibit a lower overall frontal EEG alpha/delta ratio (ADR) during middle childhood, possibly reflecting relatively less frontal brain maturation at this age. We examined this same ADR measure in relation to the stability of observed shyness and parent‐reported child social anxiety measured across two laboratory visits separated by approximately 1 year during late childhood in 51 children (33% female, age range 10–16 years). We found that the overall frontal ADR score was significantly lower among children with high, stable observed shyness and parent‐reported child social anxiety compared to children in the low, stable class. Findings provide convergent evidence suggesting that the stability of shyness in late childhood may be linked to relatively less overall frontal brain maturation at this age. We speculate on the adaptive function of delaying frontal brain maturation in the origins and maintenance of children's shyness.
Generation of a novel mouse strain with conditional, cell‐type specific, expression of DND1
Authors: Nunez Lisa , Mokkapati Sharada , Yu Chengtai , Deng Jian M. , Behringer Richard R. , Matin Angabin
Published: September 2019

Dead‐End 1 (DND1) encodes an RNA binding protein critical for viable primordial germ cells in vertebrates. When introduced into cancer cell lines, DND1 suppresses cell proliferation and enhances apoptosis. However, the molecular function of mammalian wild‐type DND1 has mostly been studied in cell lines and not verified in the organism. To facilitate study of wild‐type DND1 function in mammalian systems, we generated a novel transgenic mouse line, LSL‐FM‐DND1
flox/+, which conditionally expresses genetically engineered, FLAG‐tagged and myc‐tagged DND1 in a cell type‐specific manner. We report that FLAG‐myc‐DND1 is indeed expressed in specific tissues of the mouse when LSL‐FM‐DND1
flox/+ is combined with mouse strains expressing Cre‐recombinase. LSL‐FM‐DND1
flox/+ mice are fertile with no overt health effects. We expressed FLAG‐myc‐DND1 in the pancreas and found that chronic, ectopic expression of FLAG‐myc‐DND1 led to increase in fasting glucose levels in older mice. Thus, this novel LSL‐FM‐DND1
flox/+ mouse strain will facilitate studies on the biological and molecular function of wild‐type DND1.
Helicene Bis(pyrazol‐1‐yl)pyridine Ligands for Luminescent Transition‐Metal Complexes
Authors: Abhervé Alexandre , Martin Kévin , Hauser Andreas , Avarvari Narcis
Published: September 2019

We describe herein the synthesis of 2,6‐bis(pyrazol‐1‐yl)pyridine (1‐bpp) ligands substituted by helicene units in the 4‐position of the pyridine ring. The two‐step procedure afforded the molecules bpp[n]helicene (n = 4, 5 and 6) and methyl‐bpp[4]helicene, abbreviated as 4, 5, 6 and 4m respectively, with overall good yields. This series of ligands shows fluorescence in the violet region, with a red shift of the emission when increasing the number of aromatic rings in the helicene unit. The tridentate fluorophores have been reacted with Re(CO)5Cl and [Ru(terpy)Cl3] to prepare a series of transition metal complexes formulated as [ReI(n)(CO)3Cl] (n = 4 and 5) and [RuII(n)(terpy)](PF6)2 (n = 4, 4m, 5 and 6). The compounds [ReI(4)(CO)3Cl]·(CH2Cl2)0.5(H2O) and [RuII(4m)(terpy)](PF6)2 crystallized in the centrosymmetric space groups P21/n and P1 respectively, and thus present both M and P helicene units in their crystal structures. The absorption and emission properties of the complexes have been studied. All complexes show luminescence at 77 K in frozen DCM solution. The tricarbonyl complex [ReI(5)(CO)3Cl] shows a strong emission band with two peaks at 540 nm and 580 nm, which could be attributed to ligand‐localized π–π* phosphorescence due to the extended π system of the ligand. The heteroleptic RuII complexes show emission bands above 600 nm attributed to the terpyridine‐based 3MLCT state.
Incidence of shoulder pain in 40 years old and over and associated factors: A systematic review
Authors: Djade Codjo D. , Porgo Teegwendé V. , Zomahoun Hervé Tchala Vignon , Perrault‐Sullivan Gentiane , Dionne Clermont E.
Published: September 2019

Background

Shoulder pain is one of the most frequent musculoskeletal complaints, and its prevalence and consequences increase with age. However, little is known about the incidence of shoulder pain among aging adults. We conducted this review to estimate the incidence of shoulder pain in ageing adults and its associated factors.

Databases and data treatment

We conducted a systematic review of cohort studies in which the incidence of shoulder pain and associated factors were explored in adults aged 40 years and over. PubMed, Embase, and Web of Science databases were consulted.

Results

We retrieved 3332 studies and included six, of which five were prospective cohort studies and one was retrospective. For adults aged 45–64 years, the annual cumulative incidence was 2.4%. The incidence density was estimated at 17.3 per 1,000 person‐years for adults in the 45–64 years age group, at 12.8 per 1000 person‐years for those in the 65–74 years group and at 6.7 per 1000 person‐years among those aged 75 years and over.Occupational factors, notably physical demands of work, were associated with the incidence of shoulder pain. Non‐occupational factors were also linked to the occurrence of shoulder pain.

Conclusion

Few studies have estimated the incidence of shoulder pain and associated factors among ageing adults. From this systematic review, we conclude that studies on the incidence of shoulder pain are scarce, and that both occupational and non‐occupational factors could be associated with the onset of shoulder pain among adults 40 years and over. This very limited evidence calls for more studies on this topic.

Significance

Shoulder pain is one of the most frequent musculoskeletal complaints, and its prevalence and consequences increase with age. However, since the prevalence of a recurring condition is determined by its incidence and the number and duration of episodes, it is important to have valid incidence estimates and to conduct aetiological studies on incidence measures to untangle risk factors of the occurrence of shoulder pain from those affecting the duration and number of episodes . In this systematic review, we sought to estimate the incidence of shoulder pain in ageing adults along with its associated factors. This work could lead to better interventions to prevent shoulder pain in older individuals.
Moment theory for the analytical determination of rate constants for solute permeation at the interface of spherical molecular aggregates
Authors: Miyabe Kanji , Senoo Shiori , Okayasu Nanami
Published: September 2019

Moment equations were developed on the basis of the Einstein equation for diffusion and the random walk model to analytically determine the rate constant for the interfacial solute permeation from a bulk solvent into molecular aggregates (kin) and the inverse rate constant from the molecular aggregates to the bulk solvent (kout). The moment equations were in good agreement with those derived in a different manner. To demonstrate their effectiveness in one concrete example, the moment equations were used to analytically determine the values of kin and kout of three electrically neutral solutes, i.e. resorcinol, phenol, and nitrobenzene, from the first absolute (μ1A) and second central (μ2C) moments of their elution peaks, as measured by electrokinetic chromatography (EKC), in which the sodium dodecyl sulfate (SDS) micelles were used as a pseudostationary phase. The values of kin and kout should be determined with no chemical modifications and no physical action with the molecular aggregates because they are dynamic systems formed through weak interactions between the components. The moment analysis of the elution peak profiles measured by EKC is effective to unambiguously determine kin, kout, and the partition equilibrium constant (kin/kout) under appropriate experimental conditions.
Anterior cingulate and medial prefrontal cortex response to systematically controlled tonal dissonance during passive music listening
Authors: Bravo Fernando , Cross Ian , Hopkins Christopher , Gonzalez Nadia , Docampo Jorge , Bruno Claudio , Stamatakis Emmanuel A.
Published: September 2019

Several studies have attempted to investigate how the brain codes emotional value when processing music of contrasting levels of dissonance; however, the lack of control over specific musical structural characteristics (i.e., dynamics, rhythm, melodic contour or instrumental timbre), which are known to affect perceived dissonance, rendered results difficult to interpret. To account for this, we used functional imaging with an optimized control of the musical structure to obtain a finer characterization of brain activity in response to tonal dissonance. Behavioral findings supported previous evidence for an association between increased dissonance and negative emotion. Results further demonstrated that the manipulation of tonal dissonance through systematically controlled changes in interval content elicited contrasting valence ratings but no significant effects on either arousal or potency. Neuroscientific findings showed an engagement of the left medial prefrontal cortex (mPFC) and the left rostral anterior cingulate cortex (ACC) while participants listened to dissonant compared to consonant music, converging with studies that have proposed a core role of these regions during conflict monitoring (detection and resolution), and in the appraisal of negative emotion and fear‐related information. Both the left and right primary auditory cortices showed stronger functional connectivity with the ACC during the dissonant portion of the task, implying a demand for greater information integration when processing negatively valenced musical stimuli. This study demonstrated that the systematic control of musical dissonance could be applied to isolate valence from the arousal dimension, facilitating a novel access to the neural representation of negative emotion.
Tanshinone IIA inhibits the adipogenesis and inflammatory response in ox‐LDL‐challenged human monocyte‐derived macrophages via regulating miR‐130b/WNT5A
Authors: Yuan Limei , Li Qinghai , Zhang Zhiguo , Liu Qingle , Wang Xuechen , Fan Lihua
Published: September 2019

Atherosclerosis is a kind of chronic cardiovascular disease, characterized by oxidized low‐density lipoprotein (ox‐LDL) accumulation in macrophage. Tanshinone IIA (Tan), a lipophilic pharmacologically activate compound from Salvia miltiorrhiza Bunge, has been indicated to exert cardioprotective roles. Nevertheless, the biological role of Tan and regulatory mechanism in atherosclerosis are not fully established. In present study, atherosclerosis model was established in THP‐1‐derived macrophages by treatment of ox‐LDL. The adipogenesis was measured by Nile red staining. The expressions of inflammatory factors, microRNA‐130b (miR‐130b) and WNT5A were measured by quantitative real‐time polymerase chain reaction or Western blot. The target association between miR‐130b and WNT5A was explored via luciferase activity and RNA immunoprecipitation assay. The results showed that exposure of Tan inhibited ox‐LDL‐induced adipogenesis and expressions of interleukin‐1β (IL‐1β), IL‐6, and tumor necrosis factor‐alpha in THP‐1‐derived macrophages. miR‐130b expression was decreased in THP‐1‐derived macrophages treated by ox‐LDL and its overexpression attenuated adipogenesis as well as inflammatory response. miR‐130b knockdown reversed the regulatory effect of Tan on adipogenesis and inflammatory response in THP‐1‐derived macrophages stimulated by ox‐LDL. In addition, WNT5A acted as a functional target of miR‐130b and inhibited by Tan and miR‐130b. As a conclusion, Tan decreased the adipogenesis and inflammatory response by mediating miR‐130b and WNT5A, providing a novel theoretical foundation for treatment of atherosclerosis.
Retracted: Magnesium protects mouse hippocampal HT22 cells against hypoxia‐induced injury by upregulation of miR‐221
Authors: Mi Fuli , Liu Fuyu , Zhang Chuanzhu
Published: September 2019

Magnesium (Mg2+) has been shown to exert neuroprotective effects against hypoxia. However, it still remains elusive whether Mg2+ protected mouse hippocampal HT22 cells against hypoxia‐evoked damages. Therefore, we aimed to investigate the function of Mg2+ and mechanisms associated with microRNA‐221 (miR‐221). HT22 cells were exposed to 3% O2 for 24 hours to induce hypoxic damages with 21% as a normoxic culture condition. The damages were monitored by viability, migration, and apoptosis of HT22 cells with or without Mg2+ pretreatment. Quantitative reverse transcription‐polymerase chain reaction (qRT‐PCR) was applied to examine the alteration of miR‐221, miR‐210, and miR‐17‐5p. Transduction was carried out to artificially alter the expression of miR‐221 and nerve growth factor (NGF), which was confirmed by qRT‐PCR or Western blot assays. To blunt phosphoinositide 3‐kinase (PI3K)/protein kinase B (AKT) and nuclear factor κB (NF‐κB), LY294002 (10 µM) and BAY 11‐7082 (10 µM) were used. We observed Mg2+ protected HT22 cells against hypoxia‐induced damages by upregulating miR‐221. Further, miR‐221 positively regulated NGF expression. Overexpression of NGF alleviated cell injury, while suppression of NGF aggravated cell injury. Moreover, miR‐221 elevated NGF by inducing phosphorylation of regulators in PI3K/AKT and NF‐κB transduction cascades and then alleviated cell injury. In conclusion, Mg2+ protected HT22 cells against hypoxia‐induced damages by upregulation of miR‐221 and NGF. These findings provided insights into the development of improved strategies for clinical application.