bluuebunny/crossref_metadata_2025 huggingface dataset:
The CHD8 overgrowth syndrome: A detailed evaluation of an emerging overgrowth phenotype in 27 patients
Authors: Ostrowski Philip J. , Zachariou Anna , Loveday Chey , Beleza‐Meireles Ana , Bertoli Marta , Dean John , Douglas Andrew G. L. , Ellis Ian , Foster Alison , Graham John M. , Hague Jennifer , Hilhorst‐Hofstee Yvonne , Hoffer Mariette , Johnson Diana , Josifova Dragana , Kant Sarina G. , Kini Usha , Lachlan Katherine , Lam Wayne , Lees Melissa , Lynch Sally , Maitz Silvia , McKee Shane , Metcalfe Kay , Nathanson Katherine , Ockeloen Charlotte W. , Parker Michael J. , Pierson Tyler M. , Rahikkala Elisa , Sanchez‐Lara Pedro A. , Spano Alice , Van Maldergem Lionel , Cole Trevor , Douzgou Sofia , Tatton‐Brown Katrina
Published: November 2019

CHD8 has been reported as an autism susceptibility/intellectual disability gene but emerging evidence suggests that it additionally causes an overgrowth phenotype. This study reports 27 unrelated patients with pathogenic or likely pathogenic CHD8 variants (25 null variants, two missense variants) and a male:female ratio of 21:6 (3.5:1, p < .01). All patients presented with intellectual disability, with 85% in the mild or moderate range, and 85% had a height and/or head circumference ≥2 standard deviations above the mean, meeting our clinical criteria for overgrowth. Behavioral problems were reported in the majority of patients (78%), with over half (56%) either formally diagnosed with an autistic spectrum disorder or described as having autistic traits. Additional clinical features included neonatal hypotonia (33%), and less frequently seizures, pes planus, scoliosis, fifth finger clinodactyly, umbilical hernia, and glabellar hemangioma (≤15% each). These results suggest that, in addition to its established link with autism and intellectual disability, CHD8 causes an overgrowth phenotype, and should be considered in the differential diagnosis of patients presenting with increased height and/or head circumference in association with intellectual disability.
Direct Catalytic Decarboxylative Amination of Aryl Acetic Acids
Authors: Kong Duanyang , Moon Patrick J. , Bsharat Odey , Lundgren Rylan J.
Published: November 2019

The decarboxylative coupling of a carboxylic acid with an amine nucleophile provides an alternative to the substitution of traditional organohalide coupling partners. Benzoic and alkynyl acids may be directly aminated by oxidative catalysis. In contrast, methods for intermolecular alkyl carboxylic acid to amine conversion, including amidate rearrangements and photoredox‐promoted approaches, require stoichiometric activation of the acid unit to generate isocyanate or radical intermediates. Reported here is a process for the direct chemoselective decarboxylative amination of electron‐poor arylacetates by oxidative Cu catalysis. The reaction proceeds at (or near) room temperature, uses native carboxylic acid starting materials, and is compatible with protic, electrophilic, and other potentially complicating functionality. Mechanistic studies support a pathway in which ionic decarboxylation of the acid generates a benzylic nucleophile which is aminated in a Chan–Evans–Lam‐type process.
Bithiophene triarylborane dyad: An efficient material for the selective detection of CN− and F− ions
Authors: Perumal Sakthivel , Karuppannan Sekar , Gandhi Sivaraman , Subramanian Singaravadivel , Govindasamy Anbu , Gopal Senthil Kumar
Published: November 2019

A new fluorescent chemosensor based on bithiophene coupled dimesitylborane (BMB‐1) was synthesized and characterized. BMB‐1 was used for colorimetric and turn‐on fluorescent sensing of cyanide (CN−) and fluoride (F−) ions, in the presence of other competitive anions in an aqueous (CH3CN–H2O) medium. BMB‐1 showed a hypsochromic shift (blue shift) with addition of CN− and F− ions in absorption studies. The lower detection level of CN− and F− ions is 1.37 × 10−9 and 1.75 × 10−9 M, respectively. The BMB‐1 binding mechanism is based on the nucleophilic addition of CN− and F− ions in the internal charge transfer transition of bithio moiety to the boranylmesitylene unit, and the color changes were observed under UV light. This result is further confirmed by Fourier transform infrared spectroscopy, mass spectrometry and density functional theory calculations. Also, the BMB‐1 probe is found to be a good adsorbent for the removal of F− ions in real water samples using the adsorption technique.
Syntheses, characterizations, crystal structures, DFT/TD‐DFT, luminescence behaviors and cytotoxic effect of bicompartmental Zn (II)‐dicyanamide Schiff base coordination polymers: An approach to apoptosis, autophagy and necrosis type classical cell death
Authors: Majumdar Dhrubajyoti , Agrawal Yashika , Thomas Renjith , Ullah Zakir , Santra Manas K. , Das Sourav , Pal Tapan K. , Bankura Kalipada , Mishra Dipankar
Published: November 2019

Two new Zn (II)‐dicyanamide (dca) 1‐D chain coordination polymers (CPs), [Zn (LOMe)(μ1‐dca)(μ1,5‐dca)]n(1)and [Zn (LOEt)(μ1‐dca)(μ1,5‐dca)]n(2)have been successfully synthesized from bicompartmental Schiff base ligands N,N′‐Bis(3‐methoxysalicylidenimino)‐1,3‐diaminopropane (H2LOMe), N,N′‐Bis(3‐ethoxysalicylidenimino)‐1,3‐diaminoproane (H2LOEt) respectively and structurally characterized using various spectroscopic protocols like1H NMR, IR, Raman, UV–Vis, fluorescence as well as elemental analysis, TGA, PXRD and SCXRD studies. X‐ray single crystal study revealed that both the complexes have two different geometrical arrangement of Zn metal centres with distorted square pyramidal Zn(2) and trigonal prismatic geometry Zn(1). Ab‐initio DFT (Density functional theory) has been executed at B3LYP (Becke, 3‐parameter, Lee‐Yang‐Parr) using DGDVP (Diffuse gradient double valence polarised) basis set to explain FMO (Frontier molecular orbital), TD‐DFT (Time‐dependent density functional theory) and photovoltaic efficiency in Dye Sensitized Solar Cell (DSSC). Hirshfeld surface (HS) and 2D fingerprint plot analyses are shed more light on the non‐covalent supramolecular interactions. The steady state and time‐resolved fluorescence measurements have been conducted in DMSO and solid‐state. CPs exhibited bi‐exponential decay in DMSO as well as solid‐state where fluorescence behaviors are mainly intra‐ligand (π → π*) in nature with lifetimes in the range (1.11–1.06 ns). In particular, in vitro cytotoxic activities were evaluated towards MCF7 (breast cancer) cell line, MDA‐MB‐231 (breast carcinoma) cell line and MCF10A (breast epithelial) cell line using MTT assay. CP1had lower cytotoxic effect against MCF7 (20 μM), MDA‐MB‐231 (15 μM) cell lines in comparison with cisplatin (42.2 ± 8, 128.2 ± 7 μM). CP1induced classical cell death apoptosis, autophagy and necrosis. Lower IC50value of CP1against MDA‐MB‐231 cell line provide new insights in the development of cancer therapeutics.
Syntheses, structures and catalytic activities of low‐coordinated rare‐earth metal complexes containing 2,2′‐pyridylpyrrolides
Authors: Du Jun , Zhou Shuangliu , Zhang Xiuli , Zhang Lijun , Cui Peng , Huang Zeming , Wei Yun , Zhu Xiancui , Wang Shaowu
Published: November 2019

Reactions of the ligand precursors 2‐(2′‐pyridyl)‐3,5‐Me2‐pyrrole (L1H) and 2‐(2‐pyridyl)‐3,4,5‐Me3‐pyrrole (L2H) with [(Me3Si)2N]3RE(μ‐Cl)Li(THF)3 in toluene afforded a series of low‐coordinated rare‐earth metal bis‐amido complexes L1RE[N(SiMe3)2]2 [RE = Y (1a), Dy (1b), Er (1c), Yb (1d)] and L2RE[N(SiMe3)2]2 [RE = Y (2a), Dy (2b), Er (2c), Yb (2d)]. With the ionic radius of rare‐earth metal increasing, the reaction of L1H and [(Me3Si)2N]3RE(μ‐Cl)Li(THF)3 gave dinuclear complexes (L1)2RE(μ‐Cl)(μ‐η5:η1:η1‐L1)RE(L1)[N(SiMe3)2]2 [RE = Sm (1e), Pr (1f)]; however, the reaction of L2H and [(Me3Si)2N]3Sm(μ‐Cl)Li(THF)3 afforded (L2)2Sm[N(SiMe3)2]2 (2e). Results indicated that the ionic radius of rare‐earth metal and subtle change in the ligands have substantial effects on the structure and bonding mode of complexes. The complexes showed a high catalytic activity for the ring‐opening reaction of cyclohexene oxide with amines to afford various β‐aminoalcohols under mild solvent‐free conditions.
Overmolded polylactide/jute‐mat eco‐composites: A new method to enhance the properties of natural fiber biodegradable composites
Authors: Wis Abdulmounem Alchekh , Kodal Mehmet , Ozturk Sinan , Ozkoc Guralp
Published: November 2019

Environmentally friendly, biodegradable composites were prepared via overmolding of poly(lactic acid) (PLA) onto PLA/jute‐mat, named as “ecosheets,” reinforced continuous fiber composite sheets. Film stacking procedure was used to prepare ecosheets via using a hot‐press. The fiber orientation was changed as −45°/+45° and 0°/0°. −45°/+45° orientation exhibited higher properties as compared to 0°/0° for ecosheets; therefore, this construction was used to produce overmolded composites (OMCs). The mechanical tests showed that flexural modulus and strength of OMCs were improved in comparison to neat PLA. The dynamic mechanical analysis exhibited that the thermomechanical resistance of PLA was enhanced for OMCs. Scanning electron microscopy investigation showed that the jute/PLA interphase needs to be improved to further increase the properties. It was concluded that one of the biggest advantages of this novel technique was the increase of mechanical properties of PLA without altering the density. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48692.
Innovative conductive polymer composite coating for aircrafts lightning strike protection
Authors: Bedel Vincent , Lonjon Antoine , Dantras Éric , Bouquet Michel
Published: November 2019

A new kind of high electrical conductive epoxy coating with low filler rate was investigated for lightning strike protection (LSP) of carbon fiber reinforced polymer (CFRP). The coating without CFRP substrate was firstly studied. The influence of silver submicronic wires (AgSWs) with a high aspect ratio on the electrical behavior is observed; that is, the electrical resistivity evolution, the current density value, and the electrical conduction mechanisms as function of temperature. The preponderant electrical conduction mechanism is an Ohmic behavior. The higher level of conductivity obtained is 5.5 × 105 S m−1 for 9% vol of AgSWs. Lightning strike tests were carried out on an epoxy/AgSWs coating filled with 8% in volume (74 gsm) and deposited on a CFRP. The ultrasonic testing after lightning strike on coated CFRP shows no structural delamination and demonstrates the interest of this new route for an efficient LSP. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48700.
Substantially improving mechanical property of double percolated poly(phenylene sulfide)/poly(arylenesulfide sulfone)/graphene nanoplates composites with superior electromagnetic interference shielding performance
Authors: Chang Chenggong , Cao Yi , Yang Jiacao , Zhang Gang , Long Shengru , Wang Xiaojun , Yang Jie
Published: November 2019

The electrical conductivity and electromagnetic interference (EMI) shielding effectiveness (SE) can be conspicuously enhanced at low conductive filler contents with the formation of segregated structure in the conductive polymer composites (CPCs). Nevertheless, poor interface adhesion of segregated composites results in poor mechanical properties due to the selective distribution of conductive fillers. In this work, a flexible approach was applied to fabricate the poly(phenylene sulfide)/poly(arylene sulfide sulfone)/graphene nanoplates (GNPs) composite with a unique double percolated structure. This composite exhibits an outstanding EMI SE of 38.8 dB with only 3 wt % GNPs, which is comparable to that of the conventional segregated structure counterpart. What is more, the tensile strength and Young's modulus of double percolated composites with 3 wt % GNPs are remarkably improved by ~892 and ~274% compared to conventional segregated structure, achieving 37.7 and 1788.3 MPa, respectively. This work provides a valuable method for producing CPCs with high EMI shielding performances and outstanding mechanical properties. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48709.
Biphasic, tough composite core/shell PCL/PVA‐GEL nanofibers for biomedical application
Authors: Akbarzadeh Mohadeseh , Pezeshki‐Modaress Mohamad , Zandi Mojgan
Published: November 2019

Emulsion electrospinning using natural and synthetic polymers, including two dissimilar materials is a promising technique for nanofibers fabrication in a core/shell configuration for tissue engineering, controlled or sustained drug delivery and dressing applications. In this study, we designed and fabricated core/shell nanofibers based on polycaprolactone (PCL) as core material and poly(vinyl alcohol) (PVA)‐gelatin (GEL) blend as shell materials (PCL/PVA‐GEL) to achieve high mechanical properties, good cell growth, and proliferation via emulsion electrospinning. The effect of water to acetic acid ratio in the solvent system (8:2, 7:3, 6:4, 5:5) and also type and concentration (3, 5, 7 w/v %) of surfactant on emulsion stability and nanofibers morphology were investigated. The emulsion containing 2% Tween80 and 1% Span60 as surfactants were selected by considering the stability of emulsion and uniform fiber morphology. In the tensile strength and elongation at break, 53 and 8% increase in the crosslinked wet state of the PCL/PVA‐GEL nanofibers compared with PVA‐GEL nanofibers were observed respectively. The cell culture results indicated that the PCL/PVA‐GEL nanofibers surface has presented suitable interaction with fibroblast cells and cells attached and proliferated well on the fabricated substrate within 24 and 48 hours and also would be a good candidate for biomedical applications. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48713.
Influence of ionic liquid on graphite/silver nanoparticles dispersion and antibacterial properties against Escherichia coli of PP/EPDM composite coatings
Authors: Nuñez‐Figueredo Yuresis , Sánchez‐Valdes Saul , Ramírez‐Vargas Eduardo , Ramos‐deValle Luis F. , Albite‐Ortega Jorge , Rodriguez‐Fernandez Oliverio S. , Valera‐Zaragoza Mario , Ledezma‐Pérez Antonio S. , Rodríguez‐González Alberto A. , Morales‐Cepeda Ana B. , Lozano Tomas
Published: November 2019

In this work, graphite doped with silver nanoparticles are synthesized and coated onto a PP/EPDM blend surface. Three nanoparticles deposition methods are used. In one method, the nanoparticles are directly deposited on previously corona discharge‐treated TPO surface. Another method is by compression deposition of nanoparticles in a thin layer forming a segregated coating. In the last method, a nanoparticle‐polymer composite is deposited and then treated by corona discharge to expose the deposited nanoparticles. These last two methods show excellent antimicrobial activity (R = 2.8 and 3.9, respectively) and higher inhibition values (85% and 89%, respectively) against Escherichia coli strains. The effect of using HMIMPF6 and BMIMBF4 ionic liquids on particle dispersion and antibacterial activity against E. coli is evaluated. Using ionic liquids enhance the antibacterial activity (from R = 3.9 to 5.4) and inhibition rates (from 89% to 99.8%) of the samples. As a result, a thermoplastic elastomer (TPE) material with enhanced antibacterial properties against E. coli is obtained using ionic liquids, which offer significant promise as a material for medical applications. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48714.
Trophic dynamics in two South American estuaries encompassing industrial development and a biodiversity hotspot
Authors: Trevizani Tailisi Hoppe , Domit Camila , Broadhurst Matt K. , Santos Marcos César de Oliveira , Figueira Rubens Cesar Lopes
Published: November 2019

Estuaries are critical to the life histories and development of many marine species, and support some of the most productive aquatic ecosystems. However, owing to their geographic accessibility, many estuaries face considerable anthropogenic threats, which can be exacerbated in developing nations.

Understanding the ecological implications of anthropogenic activities as a precursor to dedicated conservation activities requires comprehensive assessments of baseline trophic relationships. This study addresses a shortfall in such information for two tropical, coastal ecosystems globally identified as priority areas for biodiversity conservation: the Paranaguá estuarine complex; and the Cananéia–Iguape estuarine lagoon system in southern Brazil.

Ecological relationships were investigated through carbon and nitrogen stable isotope (δ13C and δ15N) determination in sediments, plant fragments and the muscle tissues of marine species occupying different trophic levels, including benthic invertebrates, ichthyofauna (Stellifer rastrifer, Paralonchurus brasiliensis, and Isopisthus parvipinnis), and delphinids (Sotalia guianensis and Pontoporia blainvillei).

Isotope ratios facilitated distinguishing plant fragments, sediments (which were terrestrially influenced) and biota (predominantly marine influenced). However, despite variation among anthropogenic stressors, isotope ratios did not vary between the studied estuaries, implying similar impacts on trophic relationships which might reflect some inter‐estuary mixing.

All ichthyofauna and the delphinids had similar generalist diets and shared the same trophic niche, which may reflect their consistent spatio‐temporal distributions and habitat patterns in the estuaries. The data illustrate the utility of isotopically characterizing biodiversity‐hotspot estuaries as a mechanism for rapidly assessing ecological relationships between key species and regional habitats. Such an approach can be used to evaluate ecological connectivity as a baseline for management and might be applied more broadly, embracing multiple regions as part of estuarine and coastal biome conservation efforts.
Novel pure Ca2ZnMoO6 composition with white‐light luminescence
Authors: Peng Guo‐Xiang , Lin Chi‐Yu , Yang Cheng‐Fu , Chen Chih‐Cheng , Chen Chao‐Yang
Published: November 2019

Phosphors with composition Ca2ZnMoO6 were synthesized at temperatures of 800–1200°C using the solid‐state method. Analysis of X‐ray diffraction patterns of the Ca2ZnMoO6 powders did not reveal a double perovskite structure. When the synthesis temperature was equal to or higher than 800°C, the synthesized Ca2ZnMoO6 powders revealed a tetragonal structure (CaMoO4) rather than an orthorhombic structure (Ca2ZnMoO6) and the cubic structure (Sr2ZnMoO6) of a double perovskite. The ZnO phase was still observed at a synthesis temperature of 1200°C. The compositions of synthesized Ca2ZnMoO6 powders differed from the prepared powder, and the Ca2ZnMoO6 phosphors exhibited some important novel features. First, synthesized Ca2ZnMoO6 compositions could emit light as a phosphor no activators, called Ca2ZnMoO6 phosphors. Effect of synthesis temperature on luminescence properties of these Ca2ZnMoO6 phosphors was readily observed, and some important novel features and properties were noted. Second, the phosphors presented only one broad characteristic emission peak in the visible light region. Third, measurement of the chromaticity diagram of the Ca2ZnMoO6 phosphors revealed a white‐light source. Through analysis, we determined why the synthesized Ca2ZnMoO6 phosphors had just one broad characteristic emission peak.
Contralateral seventh cervical nerve transfer can affect the pennation angle of the lower limb in spastic hemiplegia patients: An observational case series study
Authors: Yu Bao‐Fu , Chen Li‐Wen , Qiu Yan‐Qun , Xu Jing , Yin Hua‐Wei , Li Qin‐Ying , Xu Wen‐Dong
Published: November 2019

Introduction

We previously reported transferring seventh cervical (C7) nerve from unaffected side to affected side in patients with spastic hemiplegia due to chronic cerebral injury, to improve function and reduce spasticity of paralyzed upper limb. In the clinics, some patients also reported changes of spasticity in their lower limb, which could not be detected by routine physical examinations. Pennation angle of muscle can indirectly reflect the condition of spasticity. The purpose of this study was to evaluate whether this upper limb procedure may affect spasticity of lower limb, using ultrasonography to detect changes of muscle pennation angle (PA).

Methods

Twelve spastic hemiplegia patients due to cerebral injury including stroke, cerebral palsy, and traumatic brain injury, who underwent C7 nerve transfer procedure, participated in this study. B‐mode ultrasonography was used to measure PA of the gastrocnemius medialis (GM) muscle at rest preoperatively and postoperatively. The plantar load distribution of the lower limbs was evaluated using a Zebris FDM platform preoperatively and postoperatively.

Results

The PA of the GM was significantly smaller on the affected side than that of unaffected side before surgery. On the affected side, the postoperative PA was significantly larger than preoperative PA. On the unaffected side, the postoperative PA was not significantly different compared to preoperative PA. The postoperative plantar load distribution of the affected forefoot was significantly smaller than preoperative load distribution, which was consistent with ultrasonography results.

Conclusions

This study indicates that C7 nerve transfer surgery for improving upper limb function can also affect muscle properties of lower limb in spastic hemiplegia patients, which reveals a link between the upper and lower limbs. The interlimb interactions should be considered in rehabilitation physiotherapy, and the regular pattern and mechanism need to be further studied.
Effect of Ordered Mesoporous Alumina Support on the Structural and Catalytic Properties of Mn−Ni/OMA Catalyst for NH3−SCR Performance at Low‐temperature
Authors: Liu Yongjin , Hou Yaqin , Han Xiaojin , Wang Jiancheng , Guo Yaoping , Xiang Ning , Bai Yarong , Huang Zhanggen
Published: November 2019

Mn−Ni oxides supported on ordered mesoporous alumina (OMA) catalysts were applied to the NH3−SCR of NOx at low‐temperature compared with Mn−Ni oxides supported on commercial γ‐Al2O3. The NOx conversion and N2 selectivity of Mn−Ni/OMA were superior to the Mn−Ni/γ‐Al2O3 in the temperature window of 90∼240 °C. BET, XRD, NH3−TPD, NO+O2−TPD, Pyridine‐IR, H2−TPR, and XPS were performed to characterized the physicochemical properties of the catalysts. The characterization results manifested that supports conduct a significant part on the structural and catalytic properties of catalysts for NH3−SCR performance. Compared with Mn−Ni/Al2O3, the super SCR performances of Mn−Ni/OMA could be ascribed to not only the higher dispersion of MnOx but also more abundant Lewis acid sites, and the increase in redox capacity since the extremely primary MnO2 phase on catalyst's surface. Furthermore, in situ DRIFTs were conducted to detect the SCR‐reaction mechanism over the two catalysts. Results demonstrate that although the OMA support can greatly enhance the catalytic activity of Mn−Ni/OMA catalysts, the reaction mechanism over Mn−Ni/OMA does not alter in comparison with Mn−Ni/Al2O3. Namely, the concurrence of Langmuir‐Hinshelwood (L−H) and Eley‐Rideal (E−R) mechanism, among which the E−R mechanism plays a dominant role.
CoOx@Co Nanoparticle‐based Catalyst for Efficient Selective Transfer Hydrogenation of α,β‐Unsaturated Aldehydes
Authors: Gong Wanbing , Han Miaomiao , Chen Chun , Lin Yue , Wang Guozhong , Zhang Haimin , Zhao Huijun
Published: November 2019

Currently, developing simple and effective catalysts for selective hydrogenation of α,β‐unsaturated aldehydes to unsaturated alcohols is challenging. Herein, an efficient CoOx‐shell/Co‐core structured nanoparticle catalyst is synthesized by a facile ultrasonic‐assisted carbothermal reduction method. The resultant catalyst exhibits outstanding catalytic performance toward the selective transfer hydrogenation of a wide spectrum of α,β‐unsaturated aldehydes into corresponding unsaturated alcohols with over 90 % selectivity. This is the simplest nonprecious metal catalyst to be reported for the selective hydrogenation of unsaturated aldehydes.
Investigations on the Effective Electric Loads in Blended Insertion Electrodes for Lithium‐Ion Batteries
Authors: Liebmann Tobias , Heubner Christian , Lämmel Christoph , Schneider Michael , Michaelis Alexander
Published: November 2019

Blending different types of active materials in one electrode is a great opportunity to improve the overall performance of lithium‐ion batteries. Despite considerable progress in the recent years, basic interactions, such as the specific impact of a single component on the blends’ properties, are not satisfactorily understood at the moment. In this study, the electric loads of the individual components of a blend are investigated using a special experimental setup in combination with model‐like blended electrodes. Systematic studies on the impact of type and mass fraction of the components are conducted for different nominal charge and discharge rates. The experiments reveal that the single components can be charged and discharged independent from each other, according to their characteristic redox activities and the overpotential during operation. This can lead to high effective electric loads (C‐rates) subjected to a single component despite a comparatively low total current applied to the electrode. Based on the experimental results, a simple model is developed to estimate maximum effective C‐rates of the individual components in an arbitrary blend system. These novel insights are discussed in regarding advantages and disadvantages of battery electrodes with multiple active materials.
Stress‐strain analysis in the window zone area of full‐scale wall models made of AAC and calcium silicate units
Authors: Drobiec Łukasz
Published: November 2019

This article presents results of tests on full‐scale wall models with two window openings. Tested walls were made of autoclaved aerated concrete (AAC) units and calcium‐silicate (C‐S) units. They were erected on thin unfilled perpend joints. This article strictly corresponds to previous tests performed in the spandrel area. The aim of the research was to verify results obtained for smaller models. Stress‐strain analysis of the spandrel area in full‐scale models was performed and results were compared with results obtained for smaller models. According to the analysis of the stress‐strain graphs, it was found that the horizontal stress in the spandrel area was ca. 0.2 N/mm2. The software based on the finite element method was used to perform calculations for tested walls. Results from laboratory tests and numerical simulations were analyzed to determine the level of stress and strain in tested walls.
Non‐Oxido‐Vanadium(IV) Metalloradical Complexes with Bidentate 1,2‐Dithienylethene Ligands: Observation of Reversible Cyclization of the Ligand Scaffold in Solution
Authors: Schlüter Dirk , Kleemiss Florian , Fugel Malte , Lork Enno , Sugimoto Kunihisa , Grabowsky Simon , Harmer Jeffrey R. , Vogt Matthias
Published: November 2019

Derivatives of 1,2‐dithienylethene (DTE) have superb photochromic properties due to an efficient reversible photocyclization reaction of their hexatriene structure and, thus, have application potential in materials for optoelectronics and (multi‐responsive) molecular switches. Transition‐metal complexes bearing switchable DTE motifs commonly incorporate their coordination site rather distant from the hexatriene system. In this work the redox active ligand 1,2‐bis(2,5‐dimethylthiophen‐3‐yl)ethane‐1,2‐dione is described, which reacts with [V(TMEDA)2Cl2] to give a rare non‐oxido vanadium(IV) species 3(M,M/P,P). This blue complex has two bidentate en‐diolato ligands which chelate the VIV center and give rise to two five‐membered metallacycles with the adjacent hexatriene DTE backbone bearing axial chirality. Upon irradiation with UVA light or prolonged heating in solution, the blue compound 3(M,M/P,P) converts into the purple atropisomer 4(para,M/para,P). Both complexes were isolated and structurally characterized by single‐crystal X‐ray diffraction analysis (using lab source and synchrotron radiation). The antiparallel configuration (M or P helicity) present in both 3(M,M/P,P) and 4(para,M/para,P) is a prerequisite for (reversible) 6π cyclization reactions. A CW EPR spectroscopic study reveals the metalloradical character for 3(M,M/P,P) and 4(para,M/para,P) and indicates dynamic reversible cyclization of the DTE backbone in complex 3(M,M/P,P) at ambient temperature in solution.
UCNP–Bi2Se3 Upconverting Nanohybrid for Upconversion Luminescence and CT Imaging and Photothermal Therapy
Authors: Zhao Shuang , Tian Rongrong , Shao Baiqi , Feng Yang , Yuan Senwen , Dong Langping , Zhang Liang , Wang Zhenxin , You Hongpeng
Published: November 2019

Non‐invasive theranostics that integrate the advantages of multimodality imaging and therapeutics have great potential in the field of biomedicine. Herein, a new nanohybrid based on Bi2Se3‐conjugated upconversion nanoparticles (UCNPs) has been successfully developed through a simple in situ growth strategy. Under 808 nm near‐infrared laser irradiation, the UCNPs can emit bright visible light, whereas the Bi2Se3 nanomaterial exhibits efficient photothermal conversion capacity. Moreover, the as‐synthesized UCNP–Bi2Se3 nanohybrid exhibits efficient cell upconversion luminescence (UCL), reasonable CT imaging, and admirable cancer cell ablation capacity, further emphasizing the efficiency of this strategy for simultaneous UCL imaging and photothermal therapy. The designed theranostic strategy guided by dual‐modal imaging endowed with real‐time dynamic monitoring, remote controllability, and non‐invasiveness makes the UCNP–Bi2Se3 nanohybrid an ideal candidate for non‐invasive multimodal imaging‐guided photothermal therapy for the precise diagnosis and treatment of cancer.
IR‐Laser Ablation of Potassium Cyanide: A Surprisingly Simple Route to Polynitrogen and Polycarbon Species
Authors: Redeker Frenio A. , Beckers Helmut , Riedel Sebastian
Published: November 2019

Pulsed laser irradiation of solid potassium cyanide (KCN) produces, besides free nitrogen and carbon atoms, the molecular species KN and KC which are potential candidates for interstellar species of potassium. Additionally, N3, N3−, KN3, C3, C3−, and KC3 are produced and isolated in solid noble gases as well as in solid N2. Molecular potassium nitrene (KN) reacts with dinitrogen in neon and argon matrices after photochemical excitation (λ=470 nm) forming molecular end‐on (C∞v) and side‐on (C2v) potassium azide isomers. The side‐on isomer (C2v) is thermodynamically favored at the CCSD(T)/ma‐def2‐TZVP level of theory. It can be obtained from the end‐on isomer by UV‐irradiation (λ=273 nm).
A novel splice variant of LOXL2 promotes progression of human papillomavirus–negative head and neck squamous cell carcinoma
Authors: Liu Chao , Guo Theresa , Sakai Akihiro , Ren Shuling , Fukusumi Takahito , Ando Mizuo , Sadat Sayed , Saito Yuki , Califano Joseph A.
Published: November 2019

Background

Head and neck squamous cell carcinoma (HNSCC) is one of the most frequently diagnosed cancers worldwide. LOXL2 demonstrates alternative splicing events in patients with human papillomavirus (HPV)–negative HNSCC. The current study explored the role of a dominant LOXL2 variant in HPV‐negative HNSCC.

Methods

Expression of the LOXL2 variant was analyzed using The Cancer Genome Atlas cohorts and validated using quantitative reverse transcriptase–polymerase chain reaction in a separate primary tumor set. The authors defined the effect of LOXL2 splice variants in assays for cell proliferation using a cell viability assay and colony formation assay. Cell migration and invasion were examined using a cell scratch assay and transwell cell migration and invasion assay in LOXL2 splice variant gain and loss of expression cells. Western blot analysis and gene set enrichment analysis were used to explore the potential mechanism of the LOXL2 splice variant in HPV‐negative HNSCC.

Results

Expression of a novel LOXL2 variant was found to be upregulated in The Cancer Genome Atlas HPV‐negative HNSCC, and confirmed in the separate primary tumor validation set. Analyses of loss and gain of function demonstrated that this LOXL2 variant enhanced proliferation, migration, and invasion in HPV‐negative HNSCC cells and activated the FAK/AKT pathway. A total of 837 upregulated and 820 downregulated genes and 526 upregulated and 124 downregulated pathways associated with LOXL2 variant expression were identified using gene set enrichment analysis, which helped in developing a better understanding of the networks activated by this LOXL2 variant in patients with HPV‐negative HNSCC.

Conclusions

The novel LOXL2 variant can promote the progression of HPV‐negative HNSCC, in part through FAK/AKT pathway activation, which may provide a new potential therapeutic target among patients with HPV‐negative HNSCC.
Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] π‐System
Authors: Yañez Osvaldo , Báez‐Grez Rodrigo , Garza Jorge , Pan Sudip , Barroso Jorge , Vásquez‐Espinal Alejandro , Merino Gabriel , Tiznado William
Published: November 2019

Through delicate tuning of the electronic structure, we report herein a rational design of seventeen new putative global minimum energy structures containing a planar tetra‐ or pentacoordinate carbon atom embedded in an aromatic hydrocarbon. These structures are the result of replacing three consecutive hydrogen atoms of an aromatic hydrocarbon by less electronegative groups, forming a multicenter σ‐bond with the planar hypercoordinate carbon atom and participating in the π‐electron delocalization. This strategy that maximizes both mechanical and electronic effects through aromatic architectures can be extended to several molecular combinations to achieve new and diverse compounds containing planar hypercoordinate carbon centers.
Two‐Dimensional MoS2 for Li−S Batteries: Structural Design and Electronic Modulation
Authors: Cao Yiqi , Lin Yan , Wu Jianbo , Huang Xiaohua , Pei Zhibin , Zhou Jianbin , Wang Gongming
Published: November 2019

Two‐dimensional molybdenum disulfide (MoS2) nanosheets attract great interest for applications in lithium–sulfur (Li−S) batteries, due to their unique physical and chemical properties, which originate from diverse chemical compositions and unique electronic structures. In recent years, many efforts have been devoted to employing MoS2 as a polysulfide immobilizer and catalyst, functional separator, and Li‐metal protection for Li−S batteries through structural design and electronic modulation. A fundamental understanding of the interplay between structural features, electronic properties, and advanced electrochemical performance is crucial for providing valuable insights for the development of Li−S batteries. In this regard, recent advances in Li−S batteries with 2D MoS2 materials are summarized from the perspective of structural design and electronic modulation. Finally, future prospects and remaining challenges of MoS2 for Li−S batteries are highlighted.
Spectrum sensing and communication functionalities verification in cognitive radio
Authors: Nella Anveshkumar , Gandhi Abhay Suresh
Published: November 2019

This paper is intended to discuss hardware setup implementation for realizing the spectrum sensing and communication functionalities of a five‐port integrated ultrawideband and narrowband antenna system. The five‐port integrated antenna system consists of one ultrawideband antenna and four narrowband antennas. The ultrawideband antenna is used for spectrum sensing in cognitive radio, whereas the four narrowband antennas are used for communication. In order to validate functionalities of the antennas, their spectrum sensing and communication performance is verified using an arbitrary waveform generator, real‐time signal analyzer, and Universal Software Radio Peripheral. The ultrawideband antenna is able to sense the various frequencies transmitted by the arbitrary waveform generator. These transmitted signals from the arbitrary waveform generator are treated as busy spectrum channels in the cognitive radio environment. The narrowband antennas are able to perform communication by transmitting the signals at identified spectrum holes. The sensed signals are observed on a real‐time signal analyzer, and the communication signals are viewed in LabVIEW software for which a real‐time signal reception algorithm is used. This signal reception is performed using Universal Software Radio Peripheral.
Hybrid area exploration–based mobility‐assisted localization with sectored antenna in wireless sensor networks
Authors: Nagaraju Shamanth , V Sreejith , Gudino Lucy J. , Kadam Bhushan V. , C. K. Ramesha , Rodrigues Joseph
Published: November 2019

In common practice, sensor nodes are randomly deployed in wireless sensor network (WSN); hence, location information of sensor node is crucial in WSN applications. Localization of sensor nodes performed using a fast area exploration mechanism facilitates precise location‐based sensing and communication. In the proposed localization scheme, the mobile anchor (MA) nodes integrated with localization and directional antenna modules are employed to assist in localizing the static nodes. The use of directional antennas evades trilateration or multilateration techniques for localizing static nodes thereby resulting in lower communication and computational overhead. To facilitate faster area coverage, in this paper, we propose a hybrid of max‐gain and cost‐utility–based frontier (HMF) area exploration method for MA node's mobility. The simulations for the proposed HMF area exploration–based localization scheme are carried out in the Cooja simulator. The paper also proposes additional enhancements to the Cooja simulator to provide directional and sectored antenna support. This additional support allows the user with the flexibility to feed radiation pattern of any antenna obtained either from simulated data of the antenna design simulator, ie, high frequency structure simulator (HFSS) or measured data of the vector network analyzer (VNA). The simulation results show that the proposed localization scheme exhibits minimal delay, energy consumption, and communication overhead compared with other area exploration–based localization schemes. The proof of concept for the proposed localization scheme is implemented using Berkeley motes and customized MA nodes mounted with indigenously designed radio frequency (RF) switch feed network and sectored antenna.
Risk of any hypoglycaemia with newer antihyperglycaemic agents in patients with type 2 diabetes: A systematic review and meta‐analysis
Authors: Kamalinia Sanaz , Josse Robert G. , Donio Patrick J. , Leduc Lindsay , Shah Baiju R. , Tobe Sheldon W.
Published: November 2019

Objectives

For patients with type 2 diabetes, newer antihyperglycaemic agents (AHA), including the dipeptidyl peptidase IV inhibitors (DPP4i), glucagon‐like peptide‐1 receptor agonists (GLP1RA) and sodium glucose co‐transporter 2 inhibitors (SGLT2i) offer a lower risk of hypoglycaemia relative to sulfonylurea or insulin. However, it is not clear how AHA compare to placebo on risk of any hypoglycaemia. This study evaluates the risk of any and severe hypoglycaemia with AHA and metformin relative to placebo.

Design

A systematic review and meta‐analysis was conducted of randomized, placebo‐controlled trials ≥12 weeks in duration. MEDLINE, Embase and the Cochrane Library were searched up to April 16, 2019. Studies allowing use of other diabetes medications were excluded. Mantel‐Haenszel risk ratio with 95% confidence intervals were used to pool estimates based on class of AHA and number of concomitant therapies used.

Patients

Eligible studies enrolled patients with type 2 diabetes ≥18 years of age.

Results

144 studies met our inclusion criteria. Any hypoglycaemia was not increased with AHA when used as monotherapy (DPP4i (RR 1.12; 95% CI 0.81‐1.56), GLP1RA (1.77; 0.91‐3.46), SGLT2i (1.34; 0.83‐2.15)), or as add‐on to metformin (DPP4i (0.95; 0.67‐1.35), GLP1RA (1.24; 0.80‐1.91), SGLT2i (1.29; 0.91‐1.83)) or as triple therapy (1.13; 0.67‐1.91). However, metformin monotherapy (1.73; 1.02‐2.94) and dual therapy initiation (3.56; 1.79‐7.10) was associated with an increased risk of any hypoglycaemia. Severe hypoglycaemia was rare not increased for any comparisons.

Conclusions

Metformin and the simultaneous initiation of dual therapy, but not AHA used alone or as single add‐on combination therapy, was associated with an increased risk of any hypoglycaemia relative to placebo.
Improving risk prediction in heart failure using machine learning
Authors: Adler Eric D. , Voors Adriaan A. , Klein Liviu , Macheret Fima , Braun Oscar O. , Urey Marcus A. , Zhu Wenhong , Sama Iziah , Tadel Matevz , Campagnari Claudio , Greenberg Barry , Yagil Avi
Published: November 2019

Background

Predicting mortality is important in patients with heart failure (HF). However, current strategies for predicting risk are only modestly successful, likely because they are derived from statistical analysis methods that fail to capture prognostic information in large data sets containing multi‐dimensional interactions.

Methods and results

We used a machine learning algorithm to capture correlations between patient characteristics and mortality. A model was built by training a boosted decision tree algorithm to relate a subset of the patient data with a very high or very low mortality risk in a cohort of 5822 hospitalized and ambulatory patients with HF. From this model we derived a risk score that accurately discriminated between low and high‐risk of death by identifying eight variables (diastolic blood pressure, creatinine, blood urea nitrogen, haemoglobin, white blood cell count, platelets, albumin, and red blood cell distribution width). This risk score had an area under the curve (AUC) of 0.88 and was predictive across the full spectrum of risk. External validation in two separate HF populations gave AUCs of 0.84 and 0.81, which were superior to those obtained with two available risk scores in these same populations.

Conclusions

Using machine learning and readily available variables, we generated and validated a mortality risk score in patients with HF that was more accurate than other risk scores to which it was compared. These results support the use of this machine learning approach for the evaluation of patients with HF and in other settings where predicting risk has been challenging.
CD4+CCR6+ T cells, but not γδ T cells, are important for the IL‐23R‐dependent progression of antigen‐induced inflammatory arthritis in mice
Authors: Razawy Wida , Asmawidjaja Patrick S. , Mus Anne‐Marie , Salioska Nazike , Davelaar Nadine , Kops Nicole , Oukka Mohamed , Alves C. Henrique , Lubberts Erik
Published: November 2019

IL‐23 plays an important role in the development of arthritis and the IL‐23 receptor (IL‐23R) is expressed on different types of T cells. However, it is not fully clear which IL‐23R+ T cells are critical in driving T cell‐mediated synovitis. We demonstrate, using knock‐in IL‐23R‐GFP reporter (IL‐23RGFP/+) mice, that CD4+CCR6+ T cells and γδ T cells, but not CD8+ T cells, express the IL‐23R(GFP). During early arthritis, IL‐23R(GFP)+CD4+CCR6+ T cells, but not IL‐23R(GFP)+ γδ T cells, were present in the inflamed joints. IL‐23RGFP/+ mice were bred as homozygotes to obtain IL‐23RGFP/GFP (IL‐23R deficient/IL‐23R−/−) mice, which express GFP under the IL‐23R promotor. Arthritis progression and joint damage were significantly milder in IL‐23R−/− mice, which revealed less IL‐17A+ cells in their lymphoid tissues. Surprisingly, IL‐23R−/− mice had increased numbers of IL‐23R(GFP)+CD4+CCR6+ and CCR7+CD4+CCR6+ T cells in their spleen compared to WT, and IL‐23 suppressed CCR7 expression in vitro. However, IL‐23R(GFP)+CD4+CCR6+ T cells were present in the synovium of IL‐23R−/− mice at day 4. Finally, adoptive transfer experiments revealed that CD4+CCR6+ T cells and not γδ T cells drive arthritis progression. These data suggest that IL‐23R‐dependent T cell‐mediated synovitis is dependent on CD4+CCR6+ T cells and not on γδ T cells.
CE determination of the thermodynamic pKa values and limiting ionic mobilities of 14 low molecular mass UV absorbing ampholytes for accurate characterization of the pH gradient in carrier ampholytes‐based IEF and its numeric simulation
Authors: Ansorge Martin , Gaš Bohuslav , Boublík Milan , Malý Michal , Šteflová Jana , Hruška Vlastimil , Vigh Gyula
Published: November 2019

Fourteen low molecular mass UV absorbing ampholytes containing 1 or 2 weakly acidic and 1 or 2 weakly basic functional groups that best satisfy Rilbe's requirement for being good carrier ampholytes (ΔpKa = pKamonoanion ‒ pKamonocation < 2) were selected from a large group of commercially readily available ampholytes in a computational study using two software packages (ChemSketch and SPARC). Their electrophoretic mobilities were measured in 10 mM ionic strength BGEs covering the 2 < pH < 12 range. Using our Debye‐Hückel and Onsager‐Fuoss laws‐based new software, AnglerFish (freeware, https://echmet.natur.cuni.cz/software/download), the effective mobilities were recalculated to zero ionic strength from which the thermodynamic pKa values and limiting ionic mobilities of the ampholytes were directly calculated by Henderson‐Hasselbalch equation‐type nonlinear regression. The tabulated thermodynamic pKa values and limiting ionic mobilities of these ampholytes (pI markers) facilitate both the overall and the narrow‐segment characterization of the pH gradients obtained in IEF in order to mitigate the errors of analyte ampholyte pI assignments caused by the usual (but rarely proven) assumption of pH gradient linearity. These thermodynamic pKa and limiting mobility values also enable the reality‐based numeric simulation of the IEF process using, for example, Simul (freeware, https://echmet.natur.cuni.cz/software/download).
Distinct patterns of bank erosion in a navigable regulated river
Authors: Duró Gonzalo , Crosato Alessandra , Kleinhans Maarten G. , Winkels Timotheus G. , Woolderink Hessel A.G. , Uijttewaal Wim S.J.
Published: November 2019

Distinct bankline patterns appeared after the removal of protection works along a navigable reach of the Meuse River. A series of oblique embayments now dominate the riverine landscape after ten years of bank erosion, but their location and asymmetry cannot be explained yet. This work analyses and integrates field measurements of flow, ship waves, bank composition, bed topography and historical maps to explain the observed patterns along two reaches of the river. An extraordinary low‐water‐level event generated by a ship accident provided the unique opportunity to also analyse the subaqueous bank topography.

The results indicate that the formation of oblique embayments arises from the combination of floodplain heterogeneity, structured by scroll‐bar deposits, and the regulation of water levels, resulting in ship‐wave attack at a narrow range of bank elevation for 70% of the time. Substrate erodibility acts on the effectiveness of trees to slow down local bank erosion rates, which is possibly enhanced by a positive feedback between woody roots and cohesive soil. The strong regulation of water levels and the waves generated by the intense ship traffic produce an increasingly long mildly‐sloping terrace at the bank toe and progressively dominate the bank erosion process. This study demonstrates the important role of floodplain and scroll bar formation in shaping later bank erosion, which has implications for predictive numerical models, restoration strategies, and understanding the role of vegetation in bank erosion processes. © 2019 The Authors. Earth Surface Processes and Landforms published by John Wiley & Sons Ltd