bluuebunny/crossref_metadata_2025 huggingface dataset:
Role of differentially expressed microRNA-139-5p in the regulation of phenotypic internal anal sphincter smooth muscle tone
Authors: Singh Jagmohan , Mohanty Ipsita , Addya Sankar , Phillips Benjamin , Mee Yong Hwan , An Steven S. , Penn Raymond B. , Rattan Satish
Published: April 2017

The present study focused on the role of microRNA-139-5p (miRNA-139-5p) in the regulation of basal tone in internal anal sphincter (IAS). Applying genome-wide miRNA microarrays on the phenotypically distinct smooth muscle cells (SMCs) within the rat anorectrum, we identified miRNA-139-5p as differentially expressed RNA repressor with highest expression in the purely phasic smooth muscle of anococcygeus (ASM) vs. the truly tonic smooth muscle of IAS. This pattern of miRNA-139-5p expression, previously shown to target ROCK2, was validated by target prediction using ingenuity pathway (IPA) and by qPCR analyses. Immunoblotting, immunocytochemistry (ICC), and functional assays using IAS tissues and cells subjected to overexpression/knockdown of miRNA-139-5p confirmed the inverse relationship between miRNA-139-5p and ROCK2 expressions/IAS tone. Overexpression of miRNA-139-5p caused a decrease, while knockdown by anti-miRNA-139-5p caused an increase in the IAS tone; these tissue contractile responses were confirmed by single-cell contraction using magnetic twisting cytometry (MTC). These findings suggest miRNA-139-5p is capable of significantly influencing the phenotypic tonicity in smooth muscle via ROCK2: a lack of tone in ASM may be associated with the suppression of ROCK2 by high expression of miRNA-139-5p, whereas basal IAS tone may be associated with the persistence of ROCK2 due to low expression of miRNA-139-5p.
Involvement of the MEK-ERK/p38-CREB/c-fos signaling pathway in Kir channel inhibition-induced rat retinal Müller cell gliosis
Authors: Gao Feng , Li Fang , Miao Yanying , Xu Lin-Jie , Zhao Yuan , Li Qian , Zhang Sheng-Hai , Wu Jihong , Sun Xing-Huai , Wang Zhongfeng
Published: April 2017

Our previous studies have demonstrated that activation of group I metabotropic glutamate receptors downregulated Kir channels in chronic ocular hypertension (COH) rats, thus contributing to Müller cell gliosis, characterized by upregulated expression of glial fibrillary acidic protein (GFAP). In the present study, we explored possible signaling pathways linking Kir channel inhibition and GFAP upregulation. In normal retinas, intravitreal injection of BaCl2 significantly increased GFAP expression in Müller cells, which was eliminated by co-injecting mitogen-activated protein kinase (MAPK) inhibitor U0126. The protein levels of phosphorylated extracellular signal-regulated protein kinase1/2 (p-ERK1/2) and its upstream regulator, p-MEK, were significantly increased, while the levels of phosphorylated c-Jun N-terminal kinase (p-JNK) and p38 kinase (p-p38) remained unchanged. Furthermore, the protein levels of phosphorylated cAMP response element binding protein (p-CREB) and c-fos were also increased, which were blocked by co-injecting ERK inhibitor FR180204. In purified cultured rat Müller cells, BaCl2 treatment induced similar changes in these protein levels apart from p-p38 levels and the p-p38:p38 ratio showing significant upregulation. Moreover, intravitreal injection of U0126 eliminated the upregulated GFAP expression in COH retinas. Together, these results suggest that Kir channel inhibition-induced Müller cell gliosis is mediated by the MEK-ERK/p38-CREB/c-fos signaling pathway.
Deciphering pyritization-kerogenization gradient for fish soft-tissue preservation
Authors: Osés Gabriel L. , Petri Setembrino , Voltani Cibele G. , Prado Gustavo M. E. M. , Galante Douglas , Rizzutto Marcia A. , Rudnitzki Isaac D. , da Silva Evandro P. , Rodrigues Fabio , Rangel Elidiane C. , Sucerquia Paula A. , Pacheco M. L. A. F.
Published: April 2017

Soft-tissue preservation provides palaeobiological information that is otherwise lost during fossilization. In Brazil, the Early Cretaceous Santana Formation contains fish with integument, muscles, connective tissues, and eyes that are still preserved. Our study revealed that soft-tissues were pyritized or kerogenized in different microfacies, which yielded distinct preservation fidelities. Indeed, new data provided the first record of pyritized vertebrate muscles and eyes. We propose that the different taphonomic pathways were controlled by distinct sedimentation rates in two different microfacies. Through this process, carcasses deposited in each of these microfacies underwent different residence times in sulphate-reduction and methanogenesis zones, thus yielding pyritized or kerogenized soft-tissues, and a similar process has previously been suggested in studies of a late Ediacaran lagerstätte.
Coaxial 3D bioprinting of self-assembled multicellular heterogeneous tumor fibers
Authors: Dai Xingliang , Liu Libiao , Ouyang Jia , Li Xinda , Zhang Xinzhi , Lan Qing , Xu Tao
Published: April 2017

Three-dimensional (3D) bioprinting of living structures with cell-laden biomaterials has been achieved in vitro, however, some cell-cell interactions are limited by the existing hydrogel. To better mimic tumor microenvironment, self-assembled multicellular heterogeneous brain tumor fibers have been fabricated by a custom-made coaxial extrusion 3D bioprinting system, with high viability, proliferative activity and efficient tumor-stromal interactions. Therein, in order to further verify the sufficient interactions between tumor cells and stroma MSCs, CRE-LOXP switch gene system which contained GSCs transfected with “LOXP-STOP-LOXP-RFP” genes and MSCs transfected with “CRE recombinase” gene was used. Results showed that tumor-stroma cells interacted with each other and fused, the transcription of RFP was higher than that of 2D culture model and control group with cells mixed directly into alginate, respectively. RFP expression was observed only in the cell fibers but not in the control group under confocal microscope. In conclusion, coaxial 3D bioprinted multicellular self-assembled heterogeneous tumor tissue-like fibers provided preferable 3D models for studying tumor microenvironment in vitro, especially for tumor-stromal interactions.
DNA methylation and Transcriptome Changes Associated with Cisplatin Resistance in Ovarian Cancer
Authors: Lund Riikka J. , Huhtinen Kaisa , Salmi Jussi , Rantala Juha , Nguyen Elizabeth V. , Moulder Robert , Goodlett David R. , Lahesmaa Riitta , Carpén Olli
Published: April 2017

High-grade serous ovarian cancer is the most common ovarian cancer type. Although the combination of surgery and platinum-taxane chemotherapy provide an effective treatment, drug resistance frequently occurs leading to poor outcome. In order to clarify the molecular mechanisms of drug resistance, the DNA methylation and transcriptomic changes, associated with the development of drug resistance in high-grade serous ovarian cancer, were examined from patient derived malignant ascites cells. In parallel with large-scale transcriptome changes, cisplatin resistance was associated with loss of hypermethylation at several CpG sites primarily localized in the intergenic regions of the genome. The transcriptome and CpG methylome changes in response to cisplatin treatment of both sensitive and resistant cells were minimal, indicating the importance of post-translational mechanisms in regulating death or survival of the cells. The response of resistant cells to high concentrations of cisplatin revealed transcriptomic changes in potential key drivers of drug resistance, such as KLF4. Among the strongest changes was also induction of IL6 in resistant cells and the expression was further increased in response to cisplatin. Also, several other components of IL6 signaling were affected, further supporting previous observations on its importance in malignant transformation and development of drug resistance in ovarian cancer.
Antagonistic evolution of an antibiotic and its molecular chaperone: how to maintain a vital ectosymbiosis in a highly fluctuating habitat
Authors: Papot Claire , Massol François , Jollivet Didier , Tasiemski Aurélie
Published: April 2017

Evolution of antimicrobial peptides (AMPs) has been shown to be driven by recurrent duplications and balancing/positive selection in response to new or altered bacterial pathogens. We use Alvinella pompejana, the most eurythermal animal known on Earth, to decipher the selection patterns acting on AMP in an ecological rather than controlled infection approach. The preproalvinellacin multigenic family presents the uniqueness to encode a molecular chaperone (BRICHOS) together with an AMP (alvinellacin) that controls the vital ectosymbiosis of Alvinella. In stark contrast to what is observed in the context of the Red queen paradigm, we demonstrate that exhibiting a vital and highly conserved ecto-symbiosis in the face of thermal fluctuations has led to a peculiar selective trend promoting the adaptive diversification of the molecular chaperone of the AMP, but not of the AMP itself. Because BRICHOS stabilizes beta-stranded peptides, this polymorphism likely represents an eurythermal adaptation to stabilize the structure of alvinellacin, thus hinting at its efficiency to select and control the epibiosis across the range of temperatures experienced by the worm; Our results fill some knowledge gaps concerning the function of BRICHOS in invertebrates and offer perspectives for studying immune genes in an evolutionary ecological framework.
Rational modular design of metabolic network for efficient production of plant polyphenol pinosylvin
Authors: Wu Junjun , Zhang Xia , Zhu Yingjie , Tan Qinyu , He Jiacheng , Dong Mingsheng
Published: April 2017

Efficient biosynthesis of the plant polyphenol pinosylvin, which has numerous applications in nutraceuticals and pharmaceuticals, is necessary to make biological production economically viable. To this end, an efficient Escherichia coli platform for pinosylvin production was developed via a rational modular design approach. Initially, different candidate pathway enzymes were screened to construct de novo pinosylvin pathway directly from D-glucose. A comparative analysis of pathway intermediate pools identified that this initial construct led to the intermediate cinnamic acid accumulation. The pinosylvin synthetic pathway was then divided into two new modules separated at cinnamic acid. Combinatorial optimization of transcriptional and translational levels of these two modules resulted in a 16-fold increase in pinosylvin titer. To further improve the concentration of the limiting precursor malonyl-CoA, the malonyl-CoA synthesis module based on clustered regularly interspaced short palindromic repeats interference was assembled and optimized with other two modules. The final pinosylvin titer was improved to 281 mg/L, which was the highest pinosylvin titer even directly from D-glucose without any additional precursor supplementation. The rational modular design approach described here could bolster our capabilities in synthetic biology for value-added chemical production.
Little Cigars are More Toxic than Cigarettes and Uniquely Change the Airway Gene and Protein Expression
Authors: Ghosh Arunava , Abdelwahab Sabri H. , Reeber Steven L. , Reidel Boris , Marklew Abigail J. , Garrison Andrew J. , Lee Shernita , Dang Hong , Herring Amy H. , Glish Gary L. , Kesimer Mehmet , Tarran Robert
Published: April 2017

Little cigars (LCs) are regulated differently than cigarettes, allowing them to be potentially targeted at youth/young adults. We exposed human bronchial epithelial cultures (HBECs) to air or whole tobacco smoke from cigarettes vs. LCs. Chronic smoke exposure increased the number of dead cells, lactate dehydrogenase release, and interleukin-8 (IL-8) secretion and decreased apical cilia, cystic fibrosis transmembrane conductance regulator (CFTR) protein levels, and transepithelial resistance. These adverse effects were significantly greater in LC-exposed HBECs than cigarette exposed cultures. LC-exposure also elicited unique gene expression changes and altered the proteomic profiles of airway apical secretions compared to cigarette-exposed HBECs. Gas chromatography-mass spectrometry (GC-MS) analysis indicated that LCs produced more chemicals than cigarettes, suggesting that the increased chemical load of LCs may be the cause of the greater toxicity. This is the first study of the biological effects of LCs on pulmonary epithelia and our observations strongly suggest that LCs pose a more severe danger to human health than cigarettes.
Five low energy phosphorene allotropes constructed through gene segments recombination
Authors: He Chaoyu , Zhang ChunXiao , Tang Chao , Ouyang Tao , Li Jin , Zhong Jianxin
Published: April 2017

Based on the crystal structures of the previously proposed low energy η-P and θ-P, five new phosphorene allotropes were predicted through gene segments recombination method. These five new phosphorene allotropes are confirmed dynamically stable and energetically more favorable than their parents (η-P and θ-P). Especially, the XX-XX type G1-P is confirmed energetically more favorable than most of all the previously proposed phosphorene allotropes, including black phosphorene and blue phosphorene, which is highly expected to be synthesized in future experiment through vapor deposition or epitaxial growth method like blue β-P. The calculated results also show that such a new promising phosphorene allotrope G1-P is a potential candidate for application in nano-electronics according to its middle band gap of about 1.491 eV from DFT-HSE06 calculation.
In situ polymerisation of isoeugenol as a green consolidation method for waterlogged archaeological wood
Authors: McHale Emily , Steindal Calin C. , Kutzke Hartmut , Benneche Tore , Harding Stephen E.
Published: April 2017

Waterlogged archaeological wood is often in need of consolidation prior to drying to prevent shrinkage and cracking of the object. There is a need for new greener materials (than for example polyethylene glycol) and methods for consolidation to be developed. The use of wood-based components could provide good interaction between the consolidant and the remaining wood structure and would also support a shift away from fossil fuel-based materials to those with more sustainable sources. Based on this, lignin-like structures have been investigated for their ability to consolidate waterlogged archaeological wood. The in situ formation of a lignin-like material has been carried out using isoeugenol polymerised by horse radish peroxidase in aqueous solution. The formation of the oligomeric/polymeric materials within the wood following this reaction has been determined by Attenuated Total Reflectance Fourier Transform Infra Red (ATR-FTIR) spectroscopy. The oligomers remaining in solution have been characterised by ATR-FTIR and nuclear magnetic resonance (NMR) spectroscopy as well as analytical ultracentrifugation, showing that they have a weight average Mw of 0.4–0.9 kDa and a lignin-like structure rich in the β-5′ moiety. Therefore, this approach is proposed as a basis to further develop a green consolidation method for waterlogged archaeological wood.
Wireless Power Transfer to Millimeter-Sized Gastrointestinal Electronics Validated in a Swine Model
Authors: Abid Abubakar , O’Brien Jonathan M. , Bensel Taylor , Cleveland Cody , Booth Lucas , Smith Brian R. , Langer Robert , Traverso Giovanni
Published: April 2017

Electronic devices placed in the gastrointestinal (GI) tract for prolonged periods have the potential to transform clinical evaluation and treatment. One challenge to the deployment of such gastroresident electronics is the difficulty in powering millimeter-sized electronics devices without using batteries, which compromise biocompatibility and long-term residence. We examined the feasibility of leveraging mid-field wireless powering to transfer power from outside of the body to electronics at various locations along the GI tract. Using simulations and ex vivo measurements, we designed mid-field antennas capable of operating efficiently in tissue at 1.2 GHz. These antennas were then characterized in vivo in five anesthetized pigs, by placing one antenna outside the body, and the other antenna inside the body endoscopically, at the esophagus, stomach, and colon. Across the animals tested, mean transmission efficiencies of −41.2, −36.1, and −34.6 dB were achieved in vivo while coupling power from outside the body to the esophagus, stomach, and colon, respectively. This corresponds to power levels of 37.5 μW, 123 μW and 173 μW received by antennas in the respective locations, while keeping radiation exposure levels below safety thresholds. These power levels are sufficient to wirelessly power a range of medical devices from outside of the body.
Correction: Corrigendum: Screening with an NMNAT2-MSD platform identifies small molecules that modulate NMNAT2 levels in cortical neurons
Authors: Ali Yousuf O. , Bradley Gillian , Lu Hui-Chen
Published: April 2017

Scientific Reports 7: Article number: 43846; published online: 07 March 2017; updated: 27 April 2017 In the Supplementary Information file originally published with this Article, Supplementary Tables 1 and 2 were omitted. This error has been corrected in the Supplementary Information that now accompanies the Article.
Triplex-hybridizing bioconjugated gold nanoparticles for specific Y-chromosome sequence targeting of bull spermatozoa
Authors: Gamrad L. , Mancini R. , Werner D. , Tiedemann D. , Taylor U. , Ziefuß A. , Rehbock C. , Klein S. , Kues W. , Barcikowski S. , Rath D.
Published: April 2017

Gold nanoparticle (AuNP)-triplex forming oligonucleotide (TFO) conjugates hybridize with genomic DNA and sperm heads.
Dielectric, ferroelectric and magnetic study of iron doped hexagonal Ba4YMn3O11.5−δ (BYMO) and its dependence on temperature as well as frequency
Authors: Yadava Shiva Sundar , Khare Ankur , Gautam Pooja , Kumar Atendra , Mandal K. D.
Published: April 2017

The effects of iron doping in Ba4YMn3O11.5−δ (BYMO) on dielectric, ferroelectric and magnetic properties were studied.
Isoprene chain shuttling polymerisation between cis and trans regulating catalysts: straightforward access to a new material
Authors: Phuphuak Y. , Bonnet F. , Stoclet G. , Bria M. , Zinck P.
Published: April 2017

Isoprene chain shuttling polymerisation between the 1,4-trans regulating Cp*La(BH4)2(THF)2/MgnBuEt (Cp* = C5Me5) and the 1,4-cis regulating NdCl3(THF)2/AlR3 (R = Et or iBu) systems provides access to stereoblock polyisoprene.
Facile synthesis of NHC-stabilized Ni nanoparticles and their catalytic application in the Z-selective hydrogenation of alkynes
Authors: de los Bernardos Miriam Díaz , Pérez-Rodríguez Sara , Gual Aitor , Claver Carmen , Godard Cyril
Published: April 2017

Well defined Ni nanoparticles stabilized with N-heterocyclic carbenes have been synthesized through decarboxylation of a zwitterionic CO2 adduct and they selectively hydrogenate internal alkynes into (Z)-alkenes under mild reaction conditions.
Donor ligands based on tricoordinate boron formed by B–H-activation of bis(phosphine)boronium salts
Authors: Grätz Maik , Bäcker Andreas , Vondung Lisa , Maser Leon , Reincke Arian , Langer Robert
Published: April 2017

The (R3P)2HB-moiety in a palladium(ii) pincer complex is demonstrated to be a L-type ligand and compared with other bonding types.
Conjugated polyelectrolytes with galactose-containing side chains for targeted hepatoma cell imaging
Authors: Zhang Mingli , Wu Pan , Dou Wei-Tao , Han Hai-Hao , He Xiao-Peng , Tan Chunyan , Jiang Yuyang
Published: April 2017

Three cationic conjugated polyelectrolytes (CPEs) with a common poly(p-phenylene ethynylene) backbone and different galactose-containing side chains were designed and synthesized.
Formation of N-oxide in the third oxidation of [RuII(tpy)(L)(OH2)]2+
Authors: Wang Ying , Rinkevicius Zilvinas , Ahlquist Mårten S. G.
Published: April 2017

The widely studied water oxidation catalyst [RuII(tpy)(L)(OH2)]2+ (tpy = 2,2′:6′,2′′-terpyridine, L = bpy = 2,2′-bipyridine or L = bpm = 2,2′-bipyrimidine) is still under scrutiny.
Intracellular-molecular changes in plasma-irradiated budding yeast cells studied using multiplex coherent anti-Stokes Raman scattering microscopy
Authors: Furuta Ryo , Kurake Naoyuki , Ishikawa Kenji , Takeda Keigo , Hashizume Hiroshi , Kondo Hiroki , Ohta Takayuki , Ito Masafumi , Sekine Makoto , Hori Masaru
Published: April 2017

Interactions between non-equilibrium atmospheric-pressure plasma (NEAPP) and living cells were examined using multiplex coherent anti-Stokes Raman scattering (CARS) microscopy.
Back-exchange: a novel approach to quantifying oxygen diffusion and surface exchange in ambient atmospheres
Authors: Cooper Samuel J. , Niania Mathew , Hoffmann Franca , Kilner John A.
Published: April 2017

A novel two-step Isotopic Exchange (IE) technique has been developed to investigate the influence of oxygen containing components of ambient air (such as H2O and CO2) on the effective surface exchange coefficient (k*) of a common mixed ionic electronic conductor material.
Observation of crystalline changes of titanium dioxide during lithium insertion by visible spectrum analysis
Authors: Nam Inho , Park Jongseok , Park Soomin , Bae Seongjun , Yoo Young Geun , Han Jeong Woo , Yi Jongheop
Published: April 2017

A novel analysing method based on structural colour was developed to show the changes in the crystalline and nanostructure of anode materials, such as a TiO2, during the Li insertion reaction.
On the structure of prilocaine in aqueous and amphiphilic solutions
Authors: Silva-Santisteban Alvaro , Steinke Nicola , Johnston Andrew J. , Ruiz Guadalupe N. , Carlos Pardo Luis , McLain Sylvia E.
Published: April 2017

The solvation of prilocaine has been investigated in pure water and in amphiphilic solutions using a combination of neutron diffraction and simulations.
Metal ions in the synthesis of interlocked molecules and materials
Authors: Lewis James E. M. , Beer Paul D. , Loeb Stephen J. , Goldup Stephen M.
Published: April 2017

We discuss the various roles that metal ions play, and their advantages, in the synthesis of mechanically interlocked materials.
Crosstalk of two-component signal transduction systems in regulating central carbohydrate and energy metabolism during autotrophic and photomixotrophic growth of Synechocystis sp. PCC 6803
Authors: Pei Guangsheng , Niu Xiangfeng , Zhou Yuqing , Chen Lei , Zhang Weiwen
Published: April 2017

Unicellular model cyanobacteriumSynechocystissp. PCC 6803 has received considerable attention as a sustainable energy resource because of its photosynthetic machinery.
Emergent properties of extracellular vesicles: a holistic approach to decode the complexity of intercellular communication networks
Authors: Gho Yong Song , Lee Changjin
Published: April 2017

Holistic approaches to decode emergent properties of extracellular vesicles either at a single vesicle level or at a systems level.
Interaction of indomethacin with calf thymus DNA: a multi-spectroscopic, thermodynamic and molecular modelling approach
Authors: Husain Mohammed Amir , Ishqi Hassan Mubarak , Sarwar Tarique , Rehman Sayeed Ur , Tabish Mohammad
Published: April 2017

Indomethacin belongs to the acetic acid derivative class of non-steroidal anti-inflammatory drugs with diverse pharmacological and biological activities.
High throughput methods to measure the propensity of compounds to form intramolecular hydrogen bonding
Authors: Caron Giulia , Vallaro Maura , Ermondi Giuseppe
Published: April 2017

Implementation of IMHB considerations in drug discovery needs robust and validated descriptors to experimentally verify the propensity of compounds to exhibit IMHBs.
Development of 2-aminooxazoline 3-azaxanthene β-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D
Authors: Low Jonathan D. , Bartberger Michael D. , Chen Kui , Cheng Yuan , Fielden Mark R. , Gore Vijay , Hickman Dean , Liu Qingyian , Allen Sickmier E. , Vargas Hugo M. , Werner Jonathan , White Ryan D. , Whittington Douglas A. , Wood Stephen , Minatti Ana E.
Published: April 2017

We report the discovery of an orally efficacious 3-aza-aminooxazoline-BACE1 inhibitor with 1 800 000× fold selectivity against CatD and no retinal effects in an early screening rat toxicology study.
Serendipity or the art of making discoveries
Authors: Rulev Alexander Yu.
Published: April 2017

The phenomenon of serendipitous discoveries in chemistry has been discussed.
A class of polytriazole metallogels via CuAAC polymerization: preparation and properties
Authors: Ye Lvyuan , Wan Liqiang , Huang Farong
Published: April 2017

Coordination-driven polytriazole metallogels possess good self-healing abilities.
Polymorphism and benzene solvent controlled stimuli responsive reversible fluorescence switching in triphenylphosphoniumfluorenylide crystals
Authors: Hariharan P. S. , Mariyatra M. Baby , Mothi E. M. , Neels Antonia , Rosair Georgina , Anthony Savarimuthu Philip
Published: April 2017

Triphenylphosphoniumfluorenylide (TPPFY), a fluorescent fluorene attached molecule, showed polymorphism, benzene solvent induced aggregation enhanced emission (AEE) and external stimuli responsive on–off fluorescence switching.
Perturbation of the pulmonary surfactant monolayer by single-walled carbon nanotubes: a molecular dynamics study
Authors: Xu Yan , Luo Zhen , Li Shixin , Li Weiguo , Zhang Xianren , Zuo Yi Y. , Huang Fang , Yue Tongtao
Published: April 2017

By conducting computer simulations, we demonstrate how the diameter and length of single-walled carbon nanotubes critically regulate their interactions with the pulmonary surfactant monolayer.
Thermoresponsive functional polymers based on 2,6-diaminopyridine motif with tunable UCST behaviour in water/alcohol mixtures
Authors: Asadujjaman Asad , Ahmadi Vahid , Yalcin Meral , ten Brummelhuis Niels , Bertin Annabelle
Published: April 2017

Two thermoresponsive polyacrylamides based on the 2,6-diaminopyridine motif were synthesized and their UCST-type reversible thermoresponsive behaviour was studied in water/alcohol mixtures.
Selective ethylene oligomerisation using supported tungsten mono-imido catalysts
Authors: Wright Christopher M. R. , Williams Thomas J. , Turner Zoë R. , Buffet Jean-Charles , O'Hare Dermot
Published: April 2017

Tungsten arylimido complexes grafted to the surface of solid polymethylaluminoxane are active for the selective dimerisation of ethylene.
Sb induces both doping and precipitation for improving the thermoelectric performance of elemental Te
Authors: Lin Siqi , Li Wen , Zhang Xinyue , Li Juan , Chen Zhiwei , Pei Yanzhong
Published: April 2017

Eco-friendly Sb-doping leads to a zT of 0.9 in elemental Te.
NiS nanoparticle decorated MoS2 nanosheets as efficient promoters for enhanced solar H2 evolution over ZnxCd1−xS nanorods
Authors: An Changhua , Feng Juan , Liu Junxue , Wei Guijuan , Du Jiao , Wang Hui , Jin Shengye , Zhang Jun
Published: April 2017

NiS decorated MoS2 nanosheets has been used as efficient promoter to enhance the solar hydrogen evolution over ZnCdS nanorods, which reaches a rate of 41.29 mmol gcat−1 h−1.
Processing of Cr doped SrTiO3nanoparticles into high surface area aerogels and thin films
Authors: Rechberger Felix , Ilari Gabriele , Willa Christoph , Tervoort Elena , Niederberger Markus
Published: April 2017

We present the nonaqueous sol–gel synthesis of crystalline SrTi1−xCrxO3(x= 0, 0.3, 2, 5, 10%) nanoparticles and their processing into highly concentrated dispersions in ethanol by surface functionalization with 2-[2-(2-methoxyethoxy) ethoxy] acetic acid (MEEAA).
Organoboron copolymers containing thienothiophene and selenophenothiophene analogues: optical, electrochemical and fluoride sensing properties
Authors: Turkoglu Gulsen , Cinar M. Emin , Ozturk Turan
Published: April 2017

Conjugated D–A copolymers of SeT/TT and mesitylboron were synthesized. Large Stokes shifts of 96–166 nm and solution quantum yields of 5–18% were recorded. High fluoride sensing property was observed for the polymer having cross-conjugated-TT units.
Sensitive fluorescent detection of fibrin based on the inner filter effect of gold nanoparticles
Authors: Liu Ting , Zhang Yuanfu , Hou Tingting , Xue Qingwang , Wang Lei , Wang Shuhao
Published: April 2017

A simple, rapid and sensitive fluorescent assay for determination of fibrin has been developed based on the inner filter effect (IFE) of gold nanoparticles (AuNPs).
WGUs sensor based on integrated wind-induced generating units for 360° wind energy harvesting and self-powered wind velocity sensing
Authors: Li Wenlong , Guo Hengyu , Xi Yi , Wang Chuanshen , Javed Muhammad Sufyan , Xia Xiaona , Hu Chenguo
Published: April 2017

TENG for harvesting wind energy and self-powered wind velocity sensing in 360° (WGUs). The output current and voltage of a WGU can be attained 3.5 μA and 20 V. The WGUs sensor has a high-resolution ratio (0.13 (m s−1) Hz−1) and 0.15 s response time.
Effect of pyrazolium-derived compounds as templates in zeolite synthesis
Authors: Wang Peicheng , Zhao Yang , Zhang Hongbin , Yu Tao , Zhang Yahong , Tang Yi
Published: April 2017

Novel diquaternary pyrazolium templates with different spatial sizes have unique effects on zeolite phase selectivity and macromorphology.
Solvates and polymorphs of rebamipide: preparation, characterization, and physicochemical analysis
Authors: Xiong Xinnuo , Du Qiaohong , Zeng Xia , He Jiawei , Yang Hongqin , Li Hui
Published: April 2017

Preparation and characterization of four solvates and three novel polymorphs of rebamipide, and investigations on the stability, solubility, and dissolution rate of the stable solid forms.
The effects of calcination atmosphere on the catalytic performance of Ce-doped TiO2 catalysts for selective catalytic reduction of NO with NH3
Authors: Zeng Yiqing , Zhang Shule , Wang Yanan , Liu Guangli , Zhong Qin
Published: April 2017

A series of well-reported Cex–Ti catalysts with a low content of Ce species were synthesized by a sol–gel method.
A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation
Authors: Shi Lu-Lu , Zheng Tian-Rui , Li Min , Qian Lin-Lu , Li Bao-Long , Li Hai-Yan
Published: April 2017

Five-coordinated copper(ii) coordination polymers 1–5 are highly efficient and universal photocatalysts for the degradation of the organic dyes methylene blue (MB), rhodamine B (RhB) and methyl orange (MO) under visible light irradiation.
Multi-porous Co3O4 nanoflakes @ sponge-like few-layer partially reduced graphene oxide hybrids: towards highly stable asymmetric supercapacitors
Authors: Qorbani Mohammad , Chou Tsu-chin , Lee Yi-Hsin , Samireddi Satyanarayana , Naseri Naimeh , Ganguly Abhijit , Esfandiar Ali , Wang Chen-Hao , Chen Li-Chyong , Chen Kuei-Hsien , Moshfegh Alireza Z.
Published: April 2017

Co3O4 nanoflakes show fast rate capability and superior stability due to the conductivity and well-tuned porosity of spongy-like reduced graphene oxide networks.
In situ formation of highly active Ni–Fe based oxygen-evolving electrocatalysts via simple reactive dip-coating
Authors: Dong Guofa , Fang Ming , Zhang Jianshuo , Wei Renjie , Shu Lei , Liang Xiaoguang , Yip SenPo , Wang Fengyun , Guan Lunhui , Zheng Zijian , Ho Johnny C.
Published: April 2017

An extremely simple in situ reactive dip-coating method is developed to prepare Ni–Fe based electrocatalysts with good catalytic performance on oxygen evolution comparable to those of state-of-the art precious catalysts.
Synthesis of B-doped graphene quantum dots as a metal-free electrocatalyst for the oxygen reduction reaction
Authors: Van Tam Tran , Kang Sung Gu , Babu Kadumudi Firoz , Oh Eun-Suok , Lee Seung Geol , Choi Won Mook
Published: April 2017

Boron-doped graphene quantum dots (BGQDs) have been synthesized by a one-step, facile and low temperature method through the hydrothermal treatment for the efficient metal-free electrocatalyst toward the oxygen reduction reaction.
Direct growth of cobalt-rich cobalt phosphide catalysts on cobalt foil: an efficient and self-supported bifunctional electrode for overall water splitting in alkaline media
Authors: Yuan Cheng-Zong , Zhong Sheng-Liang , Jiang Yi-Fan , Yang Zheng Kun , Zhao Zhi-Wei , Zhao Sheng-Jie , Jiang Nan , Xu An-Wu
Published: April 2017

Cobalt-rich cobalt phosphide catalysts on cobalt foils as integrated bifunctional electrodes have been developed and display outstanding performances towards overall water splitting.
Cubic-shaped WS2nanopetals on a Prussian blue derived nitrogen-doped carbon nanoporous framework for high performance sodium-ion batteries
Authors: Lim Yew Von , Wang Ye , Kong Dezhi , Guo Lu , Wong Jen It , Ang L. K. , Yang Hui Ying
Published: April 2017

Cubic-shaped WS2nanopetals/flowers on nitrogen-doped nanoporous carbons, with excellent rate capability and cycling stability of sodium-ion batteries, were developed from Prussian blue nanocubesviasolvothermal methods.
Correction: Photocrosslinkable, biodegradable hydrogels with controlled cell adhesivity for prolonged siRNA delivery to hMSCs to enhance their osteogenic differentiation
Authors: Khanh Nguyen Minh , McMillan Alexandra , Truc Huynh Cong , Schapira Daniel S. , Alsberg Eben
Published: April 2017

Correction for ‘Photocrosslinkable, biodegradable hydrogels with controlled cell adhesivity for prolonged siRNA delivery to hMSCs to enhance their osteogenic differentiation’ by Minh Khanh Nguyen et al., J. Mater. Chem. B, 2017, 5, 485–495.
Fluorescent linear CO2-derived poly(hydroxyurethane) for cool white LED
Authors: Liu Bin , Wang Ya-Ling , Bai Wei , Xu Jun-Ting , Xu Zhi-Kang , Yang Ke , Yang Yong-Zhen , Zhang Xing-Hong , Du Bin-Yang
Published: April 2017

Poly(hydroxyurethane) shows broad emission spectra either in bulk or solution and is used as a single phosphor for white LED.
Medium‐ and low‐voltage planning of radial electric power distribution systems considering reliability
Authors: Rupolo Diogo , Pereira Benvindo Rodrigues , Contreras Javier , Mantovani José Roberto Sanches
Published: April 2017

This study proposes a new methodology to carry out distribution network planning considering medium‐voltage (MV) and low‐voltage (LV) systems. The integrated planning problem of a MV/LV distribution system is formulated as a mixed‐integer non‐linear program and aims at minimising investment (substations, transformers, conductors, poles, and structures), operating, and reliability costs. The coupling constraints between MV/LV networks are represented by MV/LV modelling transformers through the power flow equations. The mathematical model is solved by the general variable neighborhood search metaheuristic method, which allows us to explore the search space through intensification and diversification criteria. The proposed methodology is applied in a system with 50 buses at the MV level and 410 buses at the LV level.
Adaptive wide‐area power oscillation damper design for photovoltaic plant considering delay compensation
Authors: Shen Yu , Yao Wei , Wen Jinyu , He Haibo
Published: April 2017

With the increasing amount of grid‐connected photovoltaic (PV) plants in a power system, the volatility and uncertainty of power generated from PV plants may adversely impact on the power system stability, for example increasing the risk of interarea oscillation. To solve the problem, this study proposes an adaptive wide‐area power oscillation damper (WPOD) based on goal representation heuristic dynamic programming (GrHDP) algorithm for PV plant to enhance damping of the concerned interarea mode. By using GrHDP, the adaptive WPOD (A‐WPOD) does not need the model of the power system and has adaptivity to different operating conditions. Moreover, an adaptive delay compensator is also employed for the proposed A‐WPOD to compensate the communication delay existing in the wide‐area signal. Case study is carried out on a 16‐machine 68‐bus system with a large‐scale PV plant. Simulation results show that the A‐WPOD can provide satisfactory damping performance and compensate the communication delay over a wide range of operating conditions.
Multi‐objective Taguchi approach for optimal DG integration in distribution systems
Authors: Meena Nand K. , Swarnkar Anil , Gupta Nikhil , Niazi Khaleequr R.
Published: April 2017

This study presents a new multi‐objective Taguchi approach for optimal integration of distributed generations (DGs) in small and large scale distribution networks. The Taguchi method (TM) is a statistical method and employs orthogonal arrays (OAs) to estimate the output response in less number of computations. In every cycle, OA is updated according to mean response of each parameter at its respective levels in the previous cycle. A new node priority list is proposed to guide TM to select promising nodes. For multi‐objective problems, a trade‐off is developed between various objectives using the technique for order of preference by similarity to ideal solution that reduces Euclidean distances of various objectives from their best solutions and increases Euclidean distances from their worst solutions. A multi‐objective DG integration problem is formulated to demonstrate the applicability of the proposed approach and tested on IEEE 33‐bus, 118‐bus and a practical 201‐bus radial distribution systems. The simulation results are compared with existing multi‐objective optimisation techniques used for optimal DG integration problems in the literature and found to be promising.
A Facile Synthesis of β-Iodonitro Alkenes via Iodonitration of Alkynes with tert-Butyl Nitrite and Iodine
Authors: Li Xiaoqing , Xu Xiangsheng , Fan Yuanyuan , Zhou Bei , Chen Kun , Wang Bingtao
Published: April 2017

A convenient synthetic approach to β-iodonitro alkenes based on the iodonitration of alkynes with
t
BuONO and I2 is described. No acid or oxidant is required in this reaction.
Thieme Chemistry Journals Awardees – Where Are They Now? Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Ethers Using Heteroaryl Exchange Reaction
Authors: Arisawa Mieko , Yamaguchi Masahiko , Tanii Saori , Tougo Takaya , Horiuchi Kiyofumi
Published: April 2017

Unsymmetric di(heteroaryl) ethers were synthesized by the rhodium-catalyzed heteroaryl exchange reaction of heteroaryl aryl ethers and heteroaryl esters at equilibrium. Diverse unsymmetric di(heteroaryl) ethers containing five- and six-membered heteroarenes were obtained. Di(heteroaryl) ethers can be synthesized starting from diaryl ethers, because heteroaryl aryl ethers are obtained by the heteroaryl exchange reaction of diaryl ethers.
Non-polymeric asymmetric binary glass-formers. II. Secondary relaxation studied by dielectric, 2H NMR, and 31P NMR spectroscopy
Authors: Pötzschner B. , Mohamed F. , Bächer C. , Wagner E. , Lichtinger A. , Bock D. , Kreger K. , Schmidt H.-W. , Rössler E. A.
Published: April 2017

We investigate the secondary (β-) relaxations of an asymmetric binary glass former consisting of a spirobichroman derivative (SBC; Tg = 356 K) as the high-Tg component and the low-Tg component tripropyl phosphate (TPP; Tg = 134 K). The main relaxations are studied in Paper I [B. Pötzschner et al., J. Chem. Phys. 146, 164503 (2017)]. A high Tg contrast of ΔTg = 222 K is put into effect in a non-polymeric system. Component-selective studies are carried out by combining results from dielectric spectroscopy (DS) for mass concentrations cTPP ≥ 60% and those from different methods of 2H and 31P NMR spectroscopy. In the case of NMR, the full concentration range (10% ≤ cTPP ≤ 100%) is covered. The neat components exhibit a β-relaxation (β1 (SBC) and β2 (TPP)). The latter is rediscovered by DS in the mixtures for all concentrations with unchanged time constants. NMR spectroscopy identifies the β-relaxations as being alike to those in neat glasses. A spatially highly restricted motion with angular displacement below ±10° encompassing all molecules is involved. In the low temperature range, where TPP shows the typical 31P NMR echo spectra of the β2-process, very similar spectral features are observed for the (deuterated) SBC component by 2H NMR, in addition to its “own” β1-process observed at high temperatures. Apparently, the small TPP molecules enslave the large SBC molecules to perform a common hindered reorientation. The temperature dependence of the spin-lattice relaxation time of both components is the same and reveals an angular displacement of the SBC molecules somewhat smaller than that of TPP, though the time constants τβ2 are the same. Furthermore, T1(T) of TPP in the temperature region of the β2-process is absolutely the same as in the mixture TPP/polystyrene investigated previously. It appears that the manifestations of the β-process introduced by one component are essentially independent of the second component. Finally, at cTPP ≤ 20% one finds indications that the β2-process starts to disintegrate. More and more TPP molecules get immobilized upon decreasing cTPP. We conclude that the β-process is a cooperative process.
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory
Authors: Saitow Masaaki , Becker Ute , Riplinger Christoph , Valeev Edward F. , Neese Frank
Published: April 2017

The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N6) with system size N, has limited its practical application to small systems consisting of not more than approximately 20–30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is necessary, which offers large computational savings. We show that, with the default PNO truncation parameters, approximately 99.9% of the total CCSD correlation energy is recovered for open-shell species, which is comparable to the performance of the method for closed-shells. UHF-DLPNO-CCSD shows a linear scaling behavior for closed-shell systems, while linear to quadratic scaling is obtained for open-shell systems. The largest systems we have considered contain more than 500 atoms and feature more than 10 000 basis functions with a triple-ζ quality basis set.
Effects of elevated ambient pressure on the disintegration of impinged sheets
Authors: Zhang Peiyu , Wang Bing
Published: April 2017

Numerical simulations that are based on the volume-of-fluid method are performed to study the atomization of impinging jets under the influence of higher steady and oscillating ambient pressures. Both the simulated flow patterns and the statistical features of the droplet size distribution and sheet wave agree well with experimental data from the literature. Then, the instability mechanism of an impinged sheet is explored. The position at which the breakup of the liquid sheet occurs is determined jointly by the velocity distribution of the sheet and aerodynamic effects. Finally, the effects of ambient pressure on the stability of atomization and spray characteristics are discussed in detail. When the ambient pressure is elevated from 0.05 MPa to 0.5 MPa, the sheet’s instability increases as the gas/air density increases. During the above process, the increasing aerodynamic force that is exerted on the liquid sheet increases the impact amplitude values, thereby increasing the spray angle and decreasing the sheet breakup length. However, the breakup of large droplets during secondary atomization is suppressed under high backpressure conditions because of the deceleration of the film’s movement. Additionally, the backpressure oscillation, with the frequency approximating the fundamental frequency of sheet waves, enhances the wave amplitude and the atomization angle, which accelerates the sheet’s breakup and decreases the mean size of the droplets downstream of the impingement point.
The importance of inner-shell electronic structure for enhancing the EUV absorption of photoresist materials
Authors: Closser Kristina D. , Ogletree D. Frank , Naulleau Patrick , Prendergast David
Published: April 2017

In order to increase computation power and efficiency, the semiconductor industry continually strives to reduce the size of features written using lithographic techniques. The planned switch to a shorter wavelength extreme ultraviolet (EUV) source presents a challenge for the associated photoresists, which in their current manifestation show much poorer photoabsorption cross sections for the same dose. Here we consider the critical role that an inner-shell electronic structure might play in enhancing photoabsorption cross sections, which one can control by the choice of substituent elements in the photoresist. In order to increase the EUV sensitivity of current photoresists, it is critical to consider the inner-shell atomic structure of the elements that compose the materials. We validate this hypothesis using a series of halogenated organic molecules, which all have similar valence structures, but differ in the character of their semi-core and deep valence levels. Using various implementations of time-dependent density functional theory, the absorption cross sections are computed for the model systems of CH3X, X = H, OH, F, Cl, Br, I, as well as a representative polymer fragment: 2-methyl-phenol and its halogenated analogues. Iodine has a particularly high cross section in the EUV range, which is due to delayed absorption by its 4d electrons. The computational results are compared to standard database values and experimental data when available. Generally we find that the states that dominate the EUV oscillator strength are generated by excitations of deep valence or semi-core electrons, which are primarily atomic-like and relatively insensitive to the specific molecular structure.
Tunable acoustic filters assisted by coupling vibrations of a flexible Helmholtz resonator and a waveguide
Authors: Zhang Hui , Wei Zhi , Zhang Xiang , Fan Li , Qu Jianmin , Zhang Shu-yi
Published: April 2017

We report a coupling structure to realize tunable sound transmission in various frequency ranges. The structure, consisting of a flexible Helmholtz resonator and a waveguide, excites three main coupling modes that generate bandpass and bandstop filter effects. Importantly, the coupling modes are controlled by membrane tension or the device structure. These properties show that a tunable filter can be realized simply by regulating the coupling vibration states by changing the membrane tension with different electromagnetic forces. In applications, the flexible Helmholtz resonator operating at its multiple resonances can be fabricated on the sub-wavelength scale, making it easy to achieve acoustic devices with small size for noise suppression or sound control at low frequencies.