bluuebunny/crossref_metadata_2025 huggingface dataset:
Atomic‐Scale Core/Shell Structure Engineering Induces Precise Tensile Strain to Boost Hydrogen Evolution Catalysis
Authors: Zhu Han , Gao Guohua , Du Mingliang , Zhou Jinhui , Wang Kai , Wu Wenbo , Chen Xu , Li Yong , Ma Piming , Dong Weifu , Duan Fang , Chen Mingqing , Wu Guangming , Wu Jiandong , Yang Haitao , Guo Shaojun
Published: May 2018

Tuning surface strain is a new strategy for boosting catalytic activity to achieve sustainable energy supplies; however, correlating the surface strain with catalytic performance is scarce because such mechanistic studies strongly require the capability of tailoring surface strain on catalysts as precisely as possible. Herein, a conceptual strategy of precisely tuning tensile surface strain on Co9S8/MoS2 core/shell nanocrystals for boosting the hydrogen evolution reaction (HER) activity by controlling the MoS2 shell numbers is demonstrated. It is found that the tensile surface strain of Co9S8/MoS2 core/shell nanocrystals can be precisely tuned from 3.5% to 0% by changing the MoS2 shell layer from 5L to 1L, in which the strained Co9S8/1L MoS2 (3.5%) exhibits the best HER performance with an overpotential of only 97 mV (10 mA cm−2) and a Tafel slope of 71 mV dec−1. The density functional theory calculation reveals that the Co9S8/1L MoS2 core/shell nanostructure yields the lowest hydrogen adsorption energy (∆EH) of −1.03 eV and transition state energy barrier (∆E2H*) of 0.29 eV (MoS2, ∆EH = −0.86 eV and ∆E2H* = 0.49 eV), which are the key in boosting HER activity by stabilizing the HER intermediate, seizing H ions, and releasing H2 gas.
High‐Valent Cobalt‐Catalyzed C−H Activation/Annulation of 2‐Benzamidopyridine 1‐Oxide with Terminal Alkyne: A Combined Theoretical and Experimental Study
Authors: Wang Yang , Du Cong , Wang Yanyan , Guo Xiaokang , Fang Lei , Song Mao‐Ping , Niu Jun‐Long , Wei Donghui
Published: May 2018

The multiple possible pathways of high‐valent cobalt catalyzed C−H activation/annulation of 2‐benzamidopyridine 1‐oxide with terminal alkyne were investigated in this combined theoretical and experimental study. The calculated results indicated that CoIII catalyzed C−H activation occurs via a concerted‐metalation deprotonation (CMD) process and that the subsequent annulation involves the CoIV intermediate generated through a proton‐coupled electron transfer (PCET) process in DMSO solvent or through an intermolecular single electron transfer (SET) process in trifluoroethanol (TFE) solvent. Moreover, the theoretical calculations also revealed that CoIII is the actual catalyst, and the solvent controls the chemoselectivity in the annulation stage, triggering a switch between five‐ and six‐membered ring products. Kinetic isotope effect (KIE), electron paramagnetic resonance (EPR), and TEMPO inhibition experiments were performed to confirm the computational results. The mechanistic insights should be valuable for understanding the PCET and SET processes involved in transition metal‐catalyzed C−H functionalizations.

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Recent Advance in Solution‐Processed Organic Interlayers for High‐Performance Planar Perovskite Solar Cells
Authors: Zhang Wenxiao , Wang Ying‐Chiao , Li Xiaodong , Song Changjian , Wan Li , Usman Khurram , Fang Junfeng
Published: May 2018

Planar heterojunction perovskite solar cells (PSCs) provide great potential for fabricating high‐efficiency, low‐cost, large‐area, and flexible photovoltaic devices. In planar PSCs, a perovskite absorber is sandwiched between hole and electron transport materials. The charge‐transporting interlayers play an important role in enhancing charge extraction, transport, and collection. Organic interlayers including small molecules and polymers offer great advantages for their tunable chemical/electronic structures and low‐temperature solution processibility. Here, recent progress of organic interlayers in planar heterojunction PSCs is discussed, and the effect of chemical structures on device performance is also illuminated. Finally, the main challenges in developing planar heterojunction PSCs based on organic interlayers are identified, and strategies for enhancing the device performance are also proposed.
Nonfullerene Acceptors for Semitransparent Organic Solar Cells
Authors: Dai Shuixing , Zhan Xiaowei
Published: May 2018

Semitransparent organic solar cells (ST‐OSCs) have appealing features, such as flexibility, transparency, and color in addition to generating clean energy, and therefore show potential applications in building integrated photovoltaics and photovoltaic vehicles. Concerted efforts in materials synthesis (particularly low‐band‐gap polymer donors and nonfullerene acceptors) and device optimization (particularly incorporating transparent electrodes) have raised the efficiencies of ST‐OSCs to >10%, with average visible transparency of >30%. In this Research News article, the recent progress in nonfullerene‐based ST‐OSCs is summarized and discussed. The future perspectives and research directions for the ST‐OSCs field are proposed.
From cacti to carnivores: Improved phylotranscriptomic sampling and hierarchical homology inference provide further insight into the evolution of Caryophyllales
Authors: Walker Joseph F. , Yang Ya , Feng Tao , Timoneda Alfonso , Mikenas Jessica , Hutchison Vera , Edwards Caroline , Wang Ning , Ahluwalia Sonia , Olivieri Julia , Walker‐Hale Nathanael , Majure Lucas C. , Puente Raúl , Kadereit Gudrun , Lauterbach Maximilian , Eggli Urs , Flores‐Olvera Hilda , Ochoterena Helga , Brockington Samuel F. , Moore Michael J. , Smith Stephen A.
Published: May 2018

Premise of the Study

The Caryophyllales contain ~12,500 species and are known for their cosmopolitan distribution, convergence of trait evolution, and extreme adaptations. Some relationships within the Caryophyllales, like those of many large plant clades, remain unclear, and phylogenetic studies often recover alternative hypotheses. We explore the utility of broad and dense transcriptome sampling across the order for resolving evolutionary relationships in Caryophyllales.

Methods

We generated 84 transcriptomes and combined these with 224 publicly available transcriptomes to perform a phylogenomic analysis of Caryophyllales. To overcome the computational challenge of ortholog detection in such a large data set, we developed an approach for clustering gene families that allowed us to analyze >300 transcriptomes and genomes. We then inferred the species relationships using multiple methods and performed gene‐tree conflict analyses.

Key Results

Our phylogenetic analyses resolved many clades with strong support, but also showed significant gene‐tree discordance. This discordance is not only a common feature of phylogenomic studies, but also represents an opportunity to understand processes that have structured phylogenies. We also found taxon sampling influences species‐tree inference, highlighting the importance of more focused studies with additional taxon sampling.

Conclusions

Transcriptomes are useful both for species‐tree inference and for uncovering evolutionary complexity within lineages. Through analyses of gene‐tree conflict and multiple methods of species‐tree inference, we demonstrate that phylogenomic data can provide unparalleled insight into the evolutionary history of Caryophyllales. We also discuss a method for overcoming computational challenges associated with homolog clustering in large data sets.
Tissue‐specific mosaicism in hereditary hemorrhagic telangiectasia: Implications for genetic testing in families
Authors: McDonald Jamie , Wooderchak‐Donahue Whitney L. , Henderson Katharine , Paul Eleri , Morris Ashley , Bayrak‐Toydemir Pinar
Published: May 2018

Mosaicism in hemorrhagic telangiectasia (HHT) has been previously identified when testing blood samples of HHT patients. We report the first detection of mosaicism not involving blood of a family proband, and discuss implications for genetic testing algorithms in HHT families. Sanger sequencing and large deletion/duplication analysis in a patient with HHT identified no pathogenic variant in ENG, ACVRL1, or SMAD4. Exome sequencing was then performed on this proband, as well as her affected adult child. A pathogenic ENG variant was detected in the proband's affected child, but not in DNA extracted from peripheral blood of the affected parent/proband. Additional tissue samples (saliva and hair bulbs) were obtained from the proband. The variant was not detected in saliva, but was detected in the hair bulb sample (at 33%). This is the first report of an HHT patient with mosaicism in whom the disease‐causing mutation was not detected in blood. The molecular findings in this family suggest that the possibility of mosaicism not present or detectable in blood should be considered if a proband with HHT tests “negative” for a mutation in known genes. This occurrence is particularly suspect for families in which the proband does not have a clearly affected parent. This mechanism may explain some patients with classic HHT in whom a pathogenic variant has not been identified in one of the known HHT genes.
Timothy syndrome‐like condition with syndactyly but without prolongation of the QT interval
Authors: Kosaki Rika , Ono Hiroshi , Terashima Hiroshi , Kosaki Kenjiro
Published: May 2018

Timothy syndrome is characterized by a unique combination of a prolongation of the corrected QT interval of the electrocardiogram and bilateral cutaneous syndactyly of the fingers and the toes and is caused by heterozygous mutations in CACNA1C, a gene encoding a calcium channel. After the discovery of the CACNA1C gene as the causative gene for Timothy syndrome, patients with CACNA1C mutations with QT prolongation but without syndactyly were described. Here, we report a 5‐year‐old female patient with cutaneous syndactyly, developmental delay, and pulmonary hypertension. Exome analysis showed a previously undescribed de novo heterozygous mutation in the CACNA1C gene, p.Arg1024Gly. To our knowledge, this patient is the first to exhibit syndactyly and to carry a CACNA1C mutation but to not have QT prolongation, which has long been considered an obligatory feature of Timothy syndrome.
Systemic lupus erythematosus in a patient with Noonan syndrome‐like disorder with loose anagen hair 1: More than a chance association
Authors: Uehara Tomoko , Hosogaya Naoki , Matsuo Nobutake , Kosaki Kenjiro
Published: May 2018

Systemic lupus erythematosus (SLE) has been reported among patients with RASopathy. Five patients have been reported: three with SHOC2 variants, one with a PTPN11 variant, and one with a KRAS variant. SHOC2 variant might represent a relatively common predisposing factor for SLE among the RASopathy genes. However, the clinical details were only reported for two patients, while information on the remaining patient appeared only in a tabular format with minimal clinical description. Here, we report a patient with a SHOC2 variant and SLE. The proband was a 28‐year‐old male patient with intellectual disabilities, a short stature, dysmorphic facial features, and thin hair. He developed hypertrophic cardiomyopathy and afebrile generalized seizures at the ages of 7 and 18 years, respectively. At the age of 24 years, he presented with a 3‐day history of intermittent fever accompanied by right chest pain and a malar butterfly rash. He fulfilled both the American College of Rheumatology (ACR) criteria and the Systemic Lupus International Collaborating Clinics (SLICC) criteria for SLE and was successfully treated with prednisolone. Medical exome sequencing identified a de novo SHOC2 variant (c.4A > G, p.S2G). The present report of a second patient who fulfills both the ACR criteria and the SLICC criteria of SLE. We suggest that the association between SHOC2 variant and SLE represents more than a chance association. In the event of fever of unknown origin in patients with constitutional SHOC2 pathogenic variant, SLE should be suspected.
Neuromandibular integration in humans and chimpanzees: Implications for dental and mandibular reduction inHomo
Authors: Veneziano Alessio , Meloro Carlo , Irish Joel D. , Stringer Chris , Profico Antonio , De Groote Isabelle
Published: May 2018

Objectives

Although the evolution of the hominin masticatory apparatus has been linked to diet and food processing, the physical connection between neurocranium and lower jaw suggests a role of encephalization in the trend of dental and mandibular reduction. Here, the hypothesis that tooth size and mandibular robusticity are influenced by morphological changes in the neurocranium was tested.

Materials and Methods

Three‐dimensional landmarks, alveolar lengths, and mandibular robusticity data were recorded on a sample of chimpanzee and human skulls. The morphological integration between the neurocranium and the lower jaw was analyzed by means of Singular Warps Analysis. Redundancy Analysis was performed to understand if the pattern of neuromandibular integration affects tooth size and mandibular robusticity.

Results

There is significant morphological covariation between neurocranium and lower jaw in both chimpanzees and humans. In humans, changes in the temporal fossa seem to produce alterations of the relative orientation of jaw parts, while the influence of similar neurocranial changes in chimpanzees are more localized. In both species, postcanine alveolar lengths and mandibular robusticity are associated with shape changes of the temporal fossa.

Conclusions

The results of this study support the hypothesis that the neurocranium is able to affect the evolution and development of the lower jaw, although most likely through functional integration of mandible, teeth, and muscles within the masticatory apparatus. This study highlights the relative influence of structural constraints and adaptive factors in the evolution of the human skull.
Catalyst‐Dependent Chemoselective Formal Insertion of Diazo Compounds into C−C or C−H Bonds of 1,3‐Dicarbonyl Compounds
Authors: Liu Zhaohong , Sivaguru Paramasivam , Zanoni Giuseppe , Anderson Edward A. , Bi Xihe
Published: May 2018

A catalyst‐dependent chemoselective one‐carbon insertion of diazo compounds into the C−C or C−H bonds of 1,3‐dicarbonyl species is reported. In the presence of silver(I) triflate, diazo insertion into the C(=O)−C bond of the 1,3‐dicarbonyl substrate leads to a 1,4‐dicarbonyl product containing an all‐carbon α‐quaternary center. This reaction constitutes the first example of an insertion of diazo‐derived carbenoids into acyclic C−C bonds. When instead scandium(III) triflate was applied as the catalyst, the reaction pathway switched to formal C−H insertion, affording 2‐alkylated 1,3‐dicarbonyl products. Different reaction pathways are proposed to account for this powerful catalyst‐dependent chemoselectivity.
Untersuchungen chlorreicher Polychloride: [Cl11]−, [Cl12]2− und [Cl13]−
Authors: Sonnenberg Karsten , Pröhm Patrick , Schwarze Nico , Müller Carsten , Beckers Helmut , Riedel Sebastian
Published: May 2018

Jahrzehntelang wurde das Gebiet der Polyhalogenchemie von Polyiodiden dominiert, in jüngerer Zeit wurde auch eine beträchtliche Zahl an Polybromiden beschrieben. Abgesehen von einigen Trichloriden und einem einzigen höheren Polychlorid, dem Oktachlorid [Cl8]2−, sind bis heute keine weiteren Polychloride bekannt. Wir berichten hier über die Synthese und Charakterisierung der höheren Polychlorid‐Monoanionen [Cl11]− in den Verbindungen [AsPh4][Cl11], [PPh4][Cl11] und [PNP][Cl11]⋅Cl2, sowie [Cl13]− in [PNP][Cl13]. Darüber hinaus wurde das höhere Polychlorid‐Dianion [Cl12]2− in Form von [NMe3Ph]2[Cl12] erhalten. Die neuartigen Verbindungen wurden mittels NMR‐ und Raman‐Spektroskopie sowie Einkristalldiffraktometrie charakterisiert. Die Zuordnung der experimentellen Spektren wird durch quantenchemische Rechnungen der molekularen Anionen und der periodischen Festkörper gestützt.
Steuerung des Metall‐Metall‐Charge‐Transfers zur Erzeugung schaltbarer Materialien
Authors: Meng Yin‐Shan , Sato Osamu , Liu Tao
Published: May 2018

Metall‐Metall‐Charge‐Transfer (MMCT) beschreibt den Elektronenübergang zwischen Metallionen unter Bildung von Valenzisomeren mit deutlich unterschiedlichen Elektronenkonfigurationen. Speziell ändert MMCT die Spinzustände von Einzelmetall‐Zentren und ihre Kopplungswechselwirkungen miteinander und zudem die Symmetrie der Ladungsverteilung. Hieraus resultiert eine drastische Änderung sowohl der magnetischen als auch elektrischen Eigenschaften der betreffenden Materialien. Darüber hinaus bewirkt MMCT eine erhebliche Änderung der Bindungslängen und Absorptionsspektren wie auch ein ungewöhnliches Wärmeausdehnungs‐ und Photochromie‐Verhalten. Von daher sind Materialien mit MMCT, welcher durch externe Stimuli steuerbar ist, ausgezeichnete Kandidaten für schaltbare multifunktionelle Vorrichtungen mit synergistischem Ansprechverhalten. In diesem Kurzaufsatz werden jüngste Fortschritte bei der Verwendung von MMCT‐Baugruppen als Effektor zur Optimierung der magnetischen, elektrischen, Wärmeausdehnungs‐ und Photochromie‐Eigenschaften in cyanidverbrückten Systemen beleuchtet; zudem werden die verbliebenen Probleme und künftigen Aussichten dieses Forschungsbereichs herausgestellt.
Ultraviolet Absorbing Efficacy and Photostability of Feruloylated Soybean Oil
Authors: Compton David L. , Goodell John R. , Evans Kervin O. , Palmquist Debra E.
Published: May 2018

Feruloylated soy glycerides (FSG) are a natural‐based, ultraviolet (UV) absorbing, antioxidant vegetable oil synthesized from the lipase‐catalyzed transesterification of ethyl ferulate and soybean oil. Commercial broad spectrum UV absorbing formulations contain multiple UV absorbing compounds that absorb UV radiation in specific regions. The most commonly used compounds are avobenzone (AVO, λmax 356 nm) and octinoxate (ONX, λmax 310 nm), which absorb primarily ultraviolet A and ultraviolet B radiation, respectively. The FSG chromophore is chemically similar to ONX but has a λmax of 328 nm, approximately the median λmax of AVO and ONX. Equimolar mixtures of AVO–ONX and AVO–FSG, 50 μM:50 μM, solutions in ethanol were compared to determine whether FSG was fungible for ONX in total absorbance capacity, photostability when exposed to UV radiation, and broad spectrum absorbance coverage before and after exposure to UV radiation. While it was determined that AVO–FSG mixtures possessed statistically indistinguishable total absorbance capacity compared to AVO–ONX solutions, AVO–FSG possessed slightly better photostability after 4 hours of UV exposure based on 95% confidence interval comparisons from weighted regression equations. Substituting FSG for half of the ONX (e.g., 50 μM:25 μM:25 μM AVO–ONX–FSG) resulted in the best mixture with total absorbance capacity and photostability statistically equal to the AVO–ONX mixtures but with statistically superior broad spectrum UV absorbance compared to AVO–ONX and AVO–FSG mixtures. The natural, vegetable oil‐based FSG can be substituted on an equimolar bases for ONX in mixtures with AVO to produce formulations with similar to superior efficacy.
A comparison of multispectral aerial and satellite imagery for mapping intertidal seaweed communities
Authors: Brodie Juliet , Ash Lauren V. , Tittley Ian , Yesson Chris
Published: May 2018

Habitat‐forming seaweeds are vital components of marine ecosystems, supporting immense diversity and providing ecosystem services. Reports of major changes in the distribution and abundance of large brown seaweeds in the north‐east Atlantic are an increasing cause for concern, but a lack of consistent monitoring over time is a key impediment in obtaining reliable evidence of change. There is an urgent need to recognize change rapidly and efficiently in marine communities, which are increasingly affected by pressures of human population growth, climate change, and ocean acidification.

Here, the potential for remote monitoring of seaweed habitats is investigated using freely available, high‐resolution aerial and satellite imagery. Three sources of imagery were used: (i) Channel Coastal Observatory (CCO) aerial imagery; (ii) aerial images from the Bing webmap server; and (iii) RapidEye multispectral satellite data.

The study area, the Thanet Coast, is an area of chalk outcrop in south‐east England of high conservation status, and includes three Marine Conservation Zones. Eight habitat classes, including brown, red, and green algal zones, were recognized based on ground‐truthing surveys.

A multi‐class classification model was developed to predict habitat classes based on the chromatic signature derived from the aerial images. The model based on the high‐resolution CCO imagery gave the best outcome (with a kappa value of 0.89).

Comparing predictions for images in 2001 and 2013 revealed habitat changes, but it is unclear as to what extent these are natural variability or real trends. This study demonstrates the potential value for long‐term monitoring with remote‐sensing data. Repeated, standardized coastal aerial imaging surveys, such as those performed by CCO, permit the rapid assessment and re‐assessment of habitat extent and change. This is of value to the conservation management of protected areas, particularly those defined by the presence or extent of specific habitats.
Anticancer activity of dihydropyrazolo[1,5‐c]quinazolines against rat C6 glioma cells via inhibition of topoisomerase II
Authors: Kaur Gagandeep , Cholia Ravi P. , Joshi Gaurav , Amrutkar Suyog M. , Kalra Sourav , Mantha Anil K. , Banerjee Uttam C. , Kumar Raj
Published: May 2018

The design and synthesis of dihydropyrazolo[1,5‐c]quinazolines (1a–h) as human topoisomerase II (TopoII) catalytic inhibitors are reported. The compounds were investigated for their antiproliferative activity against the C6 rat glial cell line. Two compounds, 1b and 1h, were found to be potent cytotoxic agents against glioma cells and exerted selective TopoII inhibitory activity. Furthermore, the compounds induced alterations in reactive oxygen species levels as measured by DCFDA assay and were found to induce cell cycle arrest at the G1 phase at lower concentrations and profound apoptosis at higher concentrations. The interaction of selected investigational molecules with TopoII was further corroborated by molecular modeling.
Synergism of cellulases and amylolytic enzymes in the hydrolysis of microalgal carbohydrates
Authors: Shokrkar Hanieh , Ebrahimi Sirous
Published: May 2018

This study aimed to evaluate the synergism of cellulases and amylolytic enzymes in the hydrolysis of microalgal carbohydrates for bioethanol production. The effect of β‐glucosidase on the hydrolysis of algal cellulose, and the comparison between the effect of the addition of α‐amylase and amyloglucosidase separately or together on the hydrolysis of algal starch, have not been described previously. Results showed that β‐glucosidases promoted the enzymatic hydrolysis of algal cellulose as a result of the increase in the glucose production rate and the decrease in the inhibition by cellobiose. It was also beneficial to carry out the hydrolysis of algal starch using the mixture of α‐amylase and amyloglucosidase. The results obtained revealed that, in enzymatic hydrolysis experiments, simultaneous treatment with Celluclast 1.5 L, β‐glucosidase, α‐amylase, and amyloglucosidase was a promising strategy to reduce the hydrolysis time required to achieve a higher yield of glucose. Subsequently, fermentation of enzymatic hydrolysates of microalgae using Saccharomyces cerevisiae showed a yield of 0.126 g ethanol / g dried algae. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
Variations of the testicular artery and vein: A meta‐analysis with proposed classification
Authors: Nallikuzhy Tom. J. , Rajasekhar S. S. S. N. , Malik Sabin , Tamgire Dharmaraj W. , Johnson Phoebe , Aravindhan K.
Published: May 2018

Variations of testicular vessels are more common than supposed. The testicular artery varies because of abnormal regression of the lateral mesonephric arteries in the fetus, whereas variations in the testicular vein are due to abnormalities in the involution of the intersubcardinal anastomosis. Such variations are usually found incidentally during surgical procedures around the renal pedicle and they often lead to complications. Several authors have attempted to classify them. However, these attempts have not been comprehensive. Therefore, the aim of this study is to provide a simple yet comprehensive classification of variations of the testicular vessels. The PubMed database was searched using keywords pertaining to the testicular vessels. The results were subjected to the Anatomical Quality Assessment (AQUA) tool analysis and were screened for appropriateness for inclusion in this study. The screening procedure yielded 31 original articles, 83 case reports, and 1 review article. Both testicular arterial and venous variations were more common on the left side (20.73% and 24.61%) than the right (12.69% and 18.4%, respectively). We classified the testicular arteries on the basis of their number (N), site of origin (O), and course (C). Similarly, the testicular veins were classified on the basis of their number (N) and site of drainage (D). The proposed classification facilitates identification, understanding, and reporting of variations of the testicular vessels by radiologists. It will also help surgeons to enhance the quality of their treatment. Clin. Anat. 31:854–869, 2018. © 2018 Wiley Periodicals, Inc.
Prediction of Field Drag Reduction by a Modified Practical Pipe Diameter Model
Authors: Zhao Jinzhou , Chen Pengfei , Liu Youquan , Zhao Wanwei , Mao Jincheng
Published: May 2018

Slick water fracturing is a successful stimulation technology for gas shales. Due to the high pumping rates associated with slick water fracturing, drag reduction (DR) is critical to the success of field operations. In this study, three drag‐reducing agents were tested in a laboratory setup and the results were compared with data from numerous slick water fracturing treatments in the field in China. The results show that, as long as the slopes of effective pipe radius versus velocity from the laboratory‐scale tubes and from the field pipes are close, field drag reduction can be predicted by a modified correlation between DR and velocity established in the laboratory. The modified practical pipe diameter model should be useful in the design of slick water fracturing treatments and the selection of drag‐reducing agents in the laboratory.
Directly Anchoring Highly Dispersed Copper Sites on Nitrogen‐Doped Carbon for Enhanced Oxygen Reduction Electrocatalysis
Authors: Lai Qingxue , Zhao Yingxuan , Zhu Junjie , Liang Yanyu , He Jianping , Chen Junhong
Published: May 2018

A simple but efficient post‐treatment strategy was developed to directly anchor highly active and dispersed copper sites on N/C for enhanced oxygen reduction reaction (ORR) electrocatalysis. The ORR activity and selectivity of the prepared Cu−N/C catalyst were significantly enhanced due to efficient binding of copper ions with nitrogen groups on the carbon skeleton to form highly active Cu−N sites. Moreover, the prepared Cu−N/C catalyst also exhibited excellent stability in alkaline electrolytes and Zn‐air batteries, indicating great potential for energy applications.
One‐Step Fabrication of Carbon Nanotubes‐Decorated Sn4P3 as a 3D Porous Intertwined Scaffold for Lithium‐Ion Batteries
Authors: Guo Qing , Ru Qiang , Liu Yang , Yan Honglin , Wang Bei , Hou Xianhua
Published: May 2018

Through a one‐step solvothermal approach, the carbon nanotubes‐decorated Sn4P3 nanohybrid with intertwined scaffold structure and enhanced electroconductivity is successfully composed as anode material in lithium‐ion batteries, using nontoxic red phosphorus and SnCl2 as starting materials. The special architecture of the nanohybrid exhibits more active sites for lithium ions and buffers the huge volume expansion. When used as anodes in lithium‐ion batteries, the material shows superior electrochemical properties, 976.5 mAh g−1 after 300 cycles under a constant current density of 500 mA g−1 and 480.0 mAh g−1 even at a high rate current of 2000 mA g−1. This excellent electrochemical behavior can be attributed to the 3D network of CNTs and its critical synergic effect with Sn4P3.
Design and Preparation of Lignin‐Based Hierarchical Porous Carbon Microspheres by High Efficient Activation for Electric Double Layer Capacitors
Authors: Zhang Yang , Yu Baojun , Zhang Jie , Ding Xiaohui , Zeng Jingxuan , Chen Mingming , Wang Chengyang
Published: May 2018

Activated carbon materials are typically used for electric double layer capacitor (EDLC) electrodes due to their high specific surface area. However, designing the pore structure and improving the efficiency of activation have been required, as activated carbon materials often need to have a rapid charge/discharge rate performance and a high powder density. In this work, lignin‐based hierarchical porous carbon microspheres (HPCMs) were designed and prepared through inverse phase dehydration to shape spherical morphology. In addition, K2CO3 as a pH regulator is premixed with lignin, and subsequently acted as the mesopore template and activating agent to fulfil highly efficient activation. The mass ratio of K2CO3 to lignin was controlled below 0.75. By applying to supercapacitor devices, the current HPCMs exhibited a remarkable capacitance and rate performance of 140 F g−1 at 0.05 A g−1 in organic electrolyte. Moreover, the performance can even remain 100 F g−1 even at 10 A g−1. The current study therefore demonstrated that the premixing of activating agent greatly improves the efficiency of activation, as K2CO3 successfully reacts with lignin molecules and forms channels inside spheres. As a result, the inverse phase dehydration of lignin and K2CO3 provides a new approach for preparing electrode materials with suitable pore structure in high efficient activation, and to our knowledge, there is no report that can prepare activated carbon in such electrochemical performance with a mass ratio of activating agent to precursor lower than 1 by chemical activation.
Phenothiazine Based Donor–Acceptor Compounds with Solid‐State Emission in the Yellow to NIR Region and Their Highly Selective and Sensitive Detection of Cyanide Ion in ppb Level
Authors: Ramachandran Elumalai , Vandarkuzhali Somasundaram A. A. , Sivaraman Gandhi , Dhamodharan Raghavachari
Published: May 2018

Four new novel donor–acceptor (A‐π‐D‐A, A‐D‐π‐D‐A) compounds (1 a, 1 b, 2 a and 2 b) based on ethylenedioxythiophene (EDOT) and phenothiazine (PTz) have been rationally designed and synthesized towards solid state emission ranging from yellow to near infrared (NIR). The compounds 1 b and 2 b, in thin film form, showed an emission maximum at 713 nm and 696 nm, respectively, with the corresponding absolute solid‐state quantum yield of 3.3 % and 9.0 %. The fluorophores showed high emission in the doped state as well when dispersed in polystyrene (PS) matrix with emission maximum ranging from 536 nm to 648 nm with quantum yield in the range 12.4 %–64.4 %. The presence of dicyanovinyl (DCV) group in both the fluorophores was exploited towards cyanide sensing in DMSO leading to turn‐on fluorescence emission with high selectivity and sensitivity for cyanide ion with a detection limit of as low as 0.32 μm (8 ppb) for 1 b and 0.57 μm (14 ppb) for 2 b. DFT and TTDFT calculations suggested that the addition of cyanide ion prevented the intramolecular charge transfer (ICT) from the donor (PTz or EDOT) to acceptor (DCV), thereby turning the fluorescence “On”. Using fluorescent spectral and color switching, we have explored logic gates with single and two input signal amplification by applying chemical and light inputs in the form of CN− ion and UV.
Ultrabright Red‐Emitting Photostable Perylene Bisimide Dyes: New Indicators for Ratiometric Sensing of High pH or Carbon Dioxide
Authors: Pfeifer David , Klimant Ingo , Borisov Sergey M.
Published: May 2018

New pH‐sensitive perylene bisimide indicator dyes were synthesized and used for fabrication of optical sensors. The highly photostable dyes show absorption/emission bands in the red/near‐infrared (NIR) region of the electromagnetic spectrum, high molar absorption coefficients (up to 100 000 m−1 cm−1), and fluorescence quantum yields close to unity. The absorption and emission spectra show strong bathochromic shifts upon deprotonation of the imidazole nitrogen atom, which makes the dyes promising as ratiometric fluorescent indicators. Physical entrapment of the indicators into a polyurethane hydrogel enables pH determination at alkaline pH values. It is also shown that a plastic carbon dioxide solid‐state sensor can be manufactured by immobilization of the pH indicator in a hydrophilic polymer, along with a quaternary ammonium base. The influences of the plasticizer, different lipophilic bases, and humidity on the sensitivity of the sensor material are systematically investigated. The disubstituted perylene, particularly, features two deprotonation equilibria, enabling sensing over a very broad pCO2 range of 0.5 to 1000 hPa.
Hypophosphites as Eco‐Compatible Fuels for Membrane‐Free Direct Liquid Fuel Cells
Authors: Wang Renhe , Wu Mengjia , Haller Servane , Métivier Pascal , Wang Yonggang , Xia Yongyao
Published: May 2018

Crossover of liquid fuel remains a severe problem for conventional direct liquid fuel cells even when polymer electrolyte membranes are applied. Herein, we report for the first time a membrane‐free direct liquid fuel cell powered by alkaline hypophosphite solution. The proof‐of‐concept fuel cell yields a peak power density of 32 mW cm−2 under air flow at room temperature. The removal of the polymer electrolyte membrane is attributed to the high reactivity and selectivity of Pd and α‐MnO2 towards the hypophosphite oxidation on the anode and oxygen reduction on the cathode, respectively. The discharge products are analyzed by 31P NMR spectroscopy and the faradaic efficiencies have been calculated after discharging at 10 mA cm−2 for 20 hours. The non‐toxicity of hypophosphite and membrane‐free fuel cell structure provide huge potential for future applications.
The Impact of CEO Characteristics on the Internationalization of SMEs: Evidence from the UK
Authors: Saeed Abubakr , Ziaulhaq Hafiz Muhammad
Published: May 2018

This study analyses the role of chief executive officers (CEOs) in the internationalization of small‐ and medium‐sized enterprises (SMEs). Specifically, it examines the impact of CEOs' demographic characteristics on the internationalization of SMEs. Based on upper echelons theory, resource‐based view and information processing theory, it is hypothesized that CEO characteristics like age, education, tenure, and political connectedness affect SMEs' international performance. Using the panel data analysis of 283 UK SMEs for the period of 2005 to 2015, this study provides evidence that CEOs' political connections and educational level are positively related to firm internationalization, while age negatively influences firm internationalization. Tenure is found to have a curvilinear relationship with SMEs' internationalization. Copyright © 2018 ASAC. Published by John Wiley & Sons, Ltd.
Simulation of actin distribution of osteoblasts on titanium pillar arrays using a bio‐chemo‐mechanical model
Authors: Truong D. , Bahls C. R. , Nebe B. , van Rienen U.
Published: May 2018

A numerical model for the adhesion of osteoblasts on titanium micropillar structures is suggested, and a function representing the concentration level of the adhesion on the pillars is constructed based on experimental observation. The introduction of this function helps a well‐known bio‐chemo‐mechanical model to better predict the formation of actin in osteoblasts when they are laid on arrays of titanium micro‐pillars of various size attached to silicon substrate. A parameter study suggests that each pillar is associated with a different pattern of adhesion. Our finding emphasises a capability of the bio‐chemo‐mechanical model that it can well explain the strong influence of the boundary condition on the formation of actin within the cells.
Few‐view CT reconstruction with group‐sparsity regularization
Authors: Bao Peng , Zhou Jiliu , Zhang Yi
Published: May 2018

Classical total variation–based iterative reconstruction algorithm is effective for the reconstruction of piecewise smooth image, but it causes oversmoothing effect for textured regions in the reconstructed image. To address this problem, this work presents a novel computed tomography reconstruction method for the few‐view problem called the group‐sparsity regularization‐based simultaneous algebraic reconstruction technique (SART). Group‐based sparse representation, which uses the concept of a group as the basic unit of sparse representation instead of a patch, is introduced as the image domain prior regularization term to eliminate the oversmoothing effect. By grouping the nonlocal patches into different clusters with similarity measured by Euclidean distance, the sparsity and nonlocal similarity in a single image are simultaneously explored. The split Bregman iteration algorithm is applied to obtain the numerical scheme. Experimental results demonstrate that our method both qualitatively and quantitatively outperforms several existing reconstruction methods, including filtered back projection, SART, total variation–based projections onto convex sets, and SART‐based dictionary learning.
An efficient and provably secure time‐limited key management scheme for outsourced data
Authors: Kumar  Naveen , Tiwari Shailesh , Zheng Zhigao , Mishra Krishn K. , Sangaiah Arun Kumar
Published: May 2018

A time‐limited data access control scheme allows a user's access to the data files only for a specified time period. A cryptographic solution to the time‐limited access control problem is by encrypting each data group associated with a time period with a distinct key. The data is encrypted by the data owner. The respective decryption keys are then distributed to authorized users by the data owner. A user requires one secret decryption key storage for each authorized time period. To reduce the secret key storage with each user, time‐limited hierarchical key management schemes are generally used. Many such schemes are proposed in the recent years. The objective of these schemes is system efficiency and data security. Construction of such schemes become more challenging when data is outsourced to an untrusted third party service provider. In current work, an efficient and secure time‐limited hierarchical key assignment scheme is proposed for key management suitable for data outsourcing scenario. We compare it with the other recent similar schemes. The scheme is formally proved against the modern stronger security notion called key indistinguishability.
3D 14N/1H Double Quantum/1H Single Quantum Correlation Solid‐State NMR for Probing the Parallel and Anti‐Parallel Beta‐Sheet Arrangement of Oligo‐Peptides at Natural Abundance
Authors: Hong You‐lee , Asakura Tetsuo , Nishiyama Yusuke
Published: May 2018

The beta (β)‐sheet structures of oligopeptides and polypeptides can be formed in anti‐parallel (AP) and parallel (P) forms, which is an important feature to understand such structures. In principle, P‐ and AP‐β‐sheet structures can be identified by the presence (AP) or absence (P) of inter‐strand 1HNH/1HNH correlations on a diagonal in the corresponding 2D 1H double quantum (DQ)/1H single quantum (SQ) spectrum due to the different inter‐strand 1HNH/1HNH distances between the two arrangements. However, the 1HNH/1HNH peaks overlap with the 1HNH3+/1HNH3+ peaks, which always give cross‐peaks regardless of the β‐sheet arrangement. The 1HNH3+/1HNH3+ peaks disturb the observation of the presence/absence of 1HNH/1HNH correlations and the assignment of 1HNH and 1HNH3+ is not always available. Here, 3D 14N/1H DQ/1H SQ correlation solid‐state NMR experiments at fast magic angle spinning (70 kHz) are introduced to distinguish AP‐ and P‐β‐sheet structures. The 14N dimension allows the distinction of 1HNH/1HNH peaks from 1HNH3+/1HNH3+ peaks with clear assignments of 1HNH and 1HNH3+. In addition, the high natural abundance of 1H and 14N enables 3D 14N/1H DQ/1H SQ experiments of oligo‐alanines (Ala3‐6) in four hours without isotope labelling.
A Randomized, First‐in‐Human, Healthy Volunteer Trial of sutimlimab, a Humanized Antibody for the Specific Inhibition of the Classical Complement Pathway
Authors: Bartko Johann , Schoergenhofer Christian , Schwameis Michael , Firbas Christa , Beliveau Martin , Chang Colin , Marier Jean‐Francois , Nix Darrell , Gilbert James C. , Panicker Sandip , Jilma Bernd
Published: May 2018

Aberrant activation of the classical complement pathway is the common underlying pathophysiology of orphan diseases such as bullous pemphigoid, antibody‐mediated rejection of organ transplants, cold agglutinin disease, and warm autoimmune hemolytic anemia. Therapeutic options for these complement‐mediated disorders are limited and sutimlimab, a humanized monoclonal antibody directed against complement factor C1s, may be potentially useful for inhibition of the classical complement pathway. A phase I, first‐in‐human, double‐blind, randomized, placebo‐controlled, dose‐escalation trial of single and multiple doses of sutimlimab or placebo was conducted in 64 volunteers to evaluate safety, tolerability, pharmacokinetic, and pharmacodynamic profiles. Single and multiple infusions of sutimlimab were well tolerated without any safety concerns. sutimlimab exhibited a steep concentration–effect relationship with a Hill coefficient of 2.4, and an IC90 of 15.5 μg/mL. This study establishes the foundation for using sutimlimab as a highly selective inhibitor of the classical complement pathway in different diseases.
A 4 V Li‐Ion Battery using All‐Spinel‐Based Electrodes
Authors: Islam Mobinul , Jeong Min‐Gi , Ali Ghulam , Oh In‐Hwan , Chung Kyung Yoon , Sun Yang‐Kook , Jung Hun‐Gi
Published: May 2018

Boosting the performance of rechargeable lithium‐ion batteries (LIBs) beyond the state‐of‐the‐art is mandatory toward meeting the future energy requirements of the consumer mass market. The replacement of conventional graphite anodes with conversion‐type metal‐oxide anodes is one progressive approach toward achieving this goal. Here, a LIB consisting of a highcapacity spinel NiMn2O4 anode and a high‐voltage spinel LiNi0.5Mn1.5O4 cathode was proposed. Polyhedral‐shaped NiMn2O4 powder was prepared from a citrate precursor via the sol‐gel method. Electrochemical tests showed that the NiMn2O4 in a half‐cell configuration could deliver reversible capacities of 750 and 303 mAh g−1 at 0.1 and 3 C rates. Integrating the NiMn2O4 anode into a full‐cell configuration provided an estimated energy density of 506 Wh kg−1 (vs. cathode mass) upon 100 cycles and excellent cycling performance over 150 cycles at the 0.1 C rate, which can be considered promising in terms of satisfying the demands for high energy densities in large‐scale applications.
An unusual presentation of giant molluscum contagiosum diagnosed on cytology
Authors: Singh Smita , Swain Mitali , Shukla Shailaja , Chander Ram
Published: May 2018

Molluscum contagiosum (MC) is most frequently a self‐limiting benign viral skin disease. Transmitted by direct skin contact, it is characterized by flesh‐colored, dome‐shaped, umbilicated lesions. Diagnosis of MC is often done clinically, but when needed, biopsy can be performed, in which characteristic Henderson–Patterson bodies, representing intracytoplasmic assemblies of the virus, are pathognomonic. Atypical presentations of MC are rare in immunocompetent individuals and are challenging to diagnose. We report a case of giant MC, presenting as an ulcero‐proliferative growth, in neck of an 8‐month‐old female child. Fine‐needle aspiration cytology smears revealed characteristic intracytoplasmic molluscum bodies. The diagnosis was subsequently confirmed by histopathology. In this case, cytological examination helped in reaching the correct diagnosis, in a clinically unsuspected case.
Papillary carcinoma in thyroglossal duct cyst: Diagnosis by fine‐needle aspiration cytology and immunocytochemistry
Authors: Das Dilip K. , George Smiley A. , Mohammad Tareq , John Bency , George Sara S. , Behbehani Abdulla I.
Published: May 2018

Carcinoma associated with thyroglossal duct cyst (TDC) is extremely rare and when it occurs it is invariably papillary carcinoma. A 36‐year‐old man presented with a midline swelling in the upper part of neck, which was a cystic lesion with multiple septae in ultrasonogram, indicating a thyroglossal duct cyst. The CT scan findings also corroborated the ultrasound report. Fine needle aspiration (FNA) smears showed hemosiderin laden cyst macrophages and occasional papillary cluster of neoplastic cells with central psammoma body and rare intranuclear cytoplasmic inclusions. The neoplastic cells revealed positive reaction for thyroglobulin, galectin3, and CD44. FNA cytodiagnosis was thyroglossal duct cyst with cytologic features suggestive of papillary carcinoma. The histopathological diagnosis of the resected lesion, however, was metastatic papillary thyroid carcinoma in lymph node with cystic changes; there was positive reaction for thyroglobulin, galectin3, HBME1, and CK. Following this histopathology report, thyroidectomy was performed, which revealed lymphocytic thyroiditis and no evidence of papillary carcinoma. Review of paraffin sections of upper midline neck mass showed a cavity bound by thick fibrocollageneous wall and lined partly by epithelium consistent with papillary carcinoma. The cyst wall showed dense lymphomononuclear cell infiltration and germinal center formation. There were foci of papillary carcinoma in the cyst wall with frequent nuclear grooves, cerebriform nuclei and intranuclear cytoplasmic inclusions. The reviewed histopathological diagnosis was consistent with papillary carcinoma in thyroglossal duct cyst. Thus, the FNA cytodiagnosis of a rare case of papillary carcinoma in thyroglossal duct cyst, led to review and change in histopathological diagnosis achieving cyto‐histopathological correlation.
The effects of enriched environment on the behavioral and corticosterone response to methamphetamine in adolescent and adult mice
Authors: Baker Elizabeth P. , Magnuson Elliott C. , Dahly Ashley M. , Siegel Jessica A.
Published: May 2018

Methamphetamine alters behavior and the stress response system. Relatively little research has examined the effects of methamphetamine in adolescents and compared these effects to those in adults. Housing in enriched environments has been explored as one way to protect against the effects of methamphetamine, but the findings are conflicting and no study has examined how enriched environment may alter the behavioral and corticosterone responses to methamphetamine in adolescent and adult rodents. We examined the long‐term effects of methamphetamine exposure on anxiety, social behavior, behavioral despair, and corticosterone levels in adolescent and adult mice housed in enriched or isolated environments. Enriched environment did not alter the behavioral or corticosterone response to methamphetamine. Methamphetamine exposure decreased anxiety and increased behavioral despair in adult mice, but methamphetamine did not alter behavior in adolescent mice. There was no effect of methamphetamine on social behavior or corticosterone levels. Our findings demonstrate that the specific environmental enrichment paradigm used in this study was not sufficient to mitigate the behavioral effects of methamphetamine and that adolescent mice are relatively resistant to the effects of methamphetamine compared to adult mice.