bluuebunny/crossref_metadata_2025 huggingface dataset:
A Self‐Assembled Oligopeptide as a Versatile NMR Alignment Medium for the Measurement of Residual Dipolar Couplings in Methanol
Authors: Lei Xinxiang , Qiu Feng , Sun Han , Bai Liwen , Wang Wen‐Xuan , Xiang Wensheng , Xiao Hongping
Published: August 2017

Residual dipolar coupling (RDC) is a powerful structural parameter for the determination of the constitution, conformation, and configuration of organic molecules. Herein, we report the first liquid crystal‐based orienting medium that is compatible with MeOH, thus enabling RDC acquisitions of a wide range of intermediate to polar organic molecules. The liquid crystals were produced from self‐assembled oligopeptide nanotubes (AAKLVFF), which are stable at very low concentrations. The presented alignment medium is highly homogeneous, and the size of RDCs can be scaled with the concentration of the peptide. To assess the accuracy of the RDC measurement by employing this new medium, seven bioactive natural products from different classes were chosen and analyzed. The straightforward preparation of the anisotropic alignment sample will offer a versatile and robust protocol for the routine RDC measurement of natural products.
Diradikaloid oder zwitterionischer Charakter: die ungesättigte Verbindung [Si4{N(SiMe3)Dipp}4] mit gefaltetem Si4‐Strukturmotiv
Authors: Keuter Jan , Schwedtmann Kevin , Hepp Alexander , Bergander Klaus , Janka Oliver , Doerenkamp Carsten , Eckert Hellmut , Mück‐Lichtenfeld Christian , Lips Felicitas
Published: August 2017

Reduktion des Tribromoamidosilans {N(SiMe3)Dipp}SiBr3 mit Kaliumgraphit oder Magnesium führte zur Bildung eines Bicyclo[1.1.0]tetrasilatetraamids [Si4{N(SiMe3)Dipp}4] (1). Das Si4‐Motiv in 1 weist keine tetraedrische Struktur auf und hat zwei dreifach‐ und zwei vierfach‐koordinierte Siliciumatome. Die dreifach‐koordinierten Siliciumatome sind positiv und negativ polarisiert, was durch Messungen der magnetischen Suszeptibilität, EPR‐Messungen, DFT‐Rechnungen, 29Si‐CP‐MAS‐NMR‐ und multinukleare NMR‐Spektroskopie in Lösung herausgefunden wurde. Untersuchungen der Reaktivität von 1 mit Radikalfängern waren nicht erfolgreich und bestätigen somit die partiellen Polarisierungen der Verbindung. 1 reagiert mit Schwefel zu einer neuartigen Si‐S‐Käfigverbindung [Si4S3{N(SiMe3)Dipp}4] (2), die von Amidosubstituenten stabilisiert wird.
Diradicaloid or Zwitterionic Character: The Non‐Tetrahedral Unsaturated Compound [Si4{N(SiMe3)Dipp}4] with a Butterfly‐type Si4 Substructure
Authors: Keuter Jan , Schwedtmann Kevin , Hepp Alexander , Bergander Klaus , Janka Oliver , Doerenkamp Carsten , Eckert Hellmut , Mück‐Lichtenfeld Christian , Lips Felicitas
Published: August 2017

The reduction of the tribromoamidosilane {N(SiMe3)Dipp}SiBr3 (Dipp=2,6‐iPr2C6H3) with potassium graphite or magnesium resulted in the formation of [Si4{N(SiMe3)Dipp}4] (1), a bicyclo[1.1.0]tetrasilatetraamide. The Si4 motif in 1 does not adopt a tetrahedral substructure and exhibits two three‐coordinate and two four‐coordinate silicon atoms. The electronic situation on the three‐coordinate silicon atoms is rationalized with positive and negative polarization based on EPR analysis, magnetization measurements, and DFT calculations as well as 29Si CP MAS NMR and multinuclear NMR spectroscopy in solution. Reactivity studies with 1 and radical scavengers confirmed the partial charge separation. Compound 1 reacts with sulfur to give a novel type of silicon sulfur cage compound substituted with an amido ligand, [Si4S3{N(SiMe3)Dipp}4] (2).
Trichalcogenasumanene ortho‐Quinones: Synthesis, Properties, and Transformation into Various Heteropolycycles
Authors: Sun Yantao , Li Xuexiang , Sun Chunlin , Shen Hongguang , Hou Xueqing , Lin Dongxu , Zhang Hao‐Li , Di Chong‐an , Zhu Daoben , Shao Xiangfeng
Published: August 2017

The regioselective transformation of heterobuckybowl trichalcogenasumanenes 1 a,b at peripheral butoxy groups afforded trichalcogenasumanene ortho‐quinones 2 a,b. Compounds 2 a,b are distinct from 1 a,b in terms of their molecular geometry and electronic state; that is, they have a shallower bowl depth and show absorbance in the NIR region. The reaction of 2 a,b with diamines resulted in a variety of heteropolycycles, including molecular spoon 3 a–6 a, planar π‐systems 3 b–6 b, and highly twisted [7‐6‐6]‐fused systems 7 a,b. These new heteropolycycles had different optical/electrical properties: 4 a,b showed hole mobility of approximately 0.002 cm2 V−1 s−1, 6 a displayed red emission in both solution and the solid state, and 7 a,b formed tight stacks of the curved π‐surface.
Effect of auxiliary blowing agents on properties of rigid polyurethane foams based on liquefied products from peanut shell
Authors: Zhang Guangyu , Zhang Qinqin , Wu Yumin , Zhang Huan , Cao Jingqiang , Han Dezhi
Published: August 2017

The bio‐based rigid polyurethane (PU) foams were successfully prepared based on liquefied products from peanut shell with water as the blowing agent. The influence of reaction parameters on properties of rigid PU foams was investigated. Rigid PU foams showed excellent compressive strength and low shrinkage ratio, whereas their open‐cell ratio and water absorption were higher. Therefore, rigid PU foams were synthesized with petroleum ether, diethyl ether, and acetone as auxiliary blowing agents and their inner temperature, shrinkage performance, density, compressive strength, water absorption, and open‐cell ratio were determined. The results indicated that above rigid PU foams showed lower compressive strength than the original foam but their water absorption and close‐cell ratio were improved. Compared with the original foam, the highest inner temperature of rigid PU foams with petroleum ether, diethyl ether, and acetone as auxiliary blowing agents was reduced by 11, 19, and 23 °C, respectively. Typically, foams with petroleum ether as auxiliary blowing agent displayed better water absorption and swelling ratio in water and exhibited obvious improvement in close‐cell ratio. These foams were preferable for application in thermal insulation materials because of low thermal conductivity and better corrosion resistance. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45582.
Carbonized electrospun polyvinylpyrrolidone/metal hybrid nanofiber composites for electrochemical applications
Authors: Ekabutr Pongpol , Ariyathanakul Teeraseth , Chaiyo Sudkate , Niamlang Pimolpun , Rattanaveeranon Santi , Chailapakul Orawon , Supaphol Pitt
Published: August 2017

Electrospinning is a very versatile and efficient method of fabricating nanofibers with the desired properties. Polyvinylpyrrolidone (PVP) in ethanol solution was electrospun into nanofibers and used as a precursor for the preparation of carbon nanofibers. Cobalt chloride was also incorporated with PVP nanofibers to produce carbon nanofiber composites with enhanced electrical conductivity and electrochemical properties. The surface morphology and physical properties of the electrospun nanofibers, carbonized nanofibers, and their composites were observed by scanning electron microscopy, transmission electron microscopy, and X‐ray diffraction. The electrochemical behavior of the carbon nanofiber composites was studied by drop‐casting on a working surface of the screen‐printed carbon electrode and examined by cyclic voltammetry and electrochemical impedance spectroscopy. The results indicated that carbon nanofiber composites were decorated with cobalt nanoparticles and enhanced the charge‐transfer efficiency on the electrode surface. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45639.
Self‐aggregated nanoparticles of N‐dodecyl,N′‐glycidyl(chitosan) as pH‐responsive drug delivery systems for quercetin
Authors: Pedro Rafael de Oliveira , Pereira Susana , Goycoolea Francisco M. , Schmitt Carla C. , Neumann Miguel G.
Published: August 2017

In this study, pH‐responsive amphiphilic chitosan (CS) nanoparticles were used to encapsulate quercetin (QCT) for sustained release in cancer therapy. The novel CS derivatives were obtained by synthesis with 2,3‐epoxy‐1‐propanol, also known as glycidol, followed by acylation with dodecyl aldehyde. Characterization was performed by spectroscopic, viscosimetric, and size‐determination methods. Critical aggregation concentration, morphology, entrapment efficiency, drug release profile, cytotoxicity, and hemocompatibility studies were also carried out. The average size distribution of the self‐assembling nanoparticles measured by dynamic light scattering ranged from 140 to 300 nm. In vitro QCT release and Korsmeyer–Peppas model indicated that pH had a major role in drug release. Cytotoxicity assessments indicated that the nanoparticles were non‐cytotoxic. 3‐(4,5‐Dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide assay further revealed that QCT‐loaded nanoparticles could inhibit MCF‐7 cell growth. In vitro erythrocyte‐induced hemolysis indicated the good hemocompatibility of the nanoparticles. These results suggest that the synthesized copolymers might be potential carriers for hydrophobic drugs in cancer therapy. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45678.
Effects of nanosilica on retrogradation properties and structures of thermoplastic cassava starch
Authors: Liu Yuxin , Fan Lilan , Mo Xianzhong , Yang Fang , Pang Jinying
Published: August 2017

Composites of thermoplastic cassava starch (TPS) and nanosilica (SiO2) were prepared by the melting method. The effect of nano‐SiO2 on the retrogradation properties and structures of cassava starch was investigated. The retrogradation degree of TPS/nano‐SiO2 composites increased with increasing retrogradation time. The retrogradation rate of TPS significantly increased after the addition of nano‐SiO2, but excessive nano‐SiO2 content leads to a decrease in the retrogradation rate of TPS. According to the Fourier transform infrared spectroscopy results, the retrogradation degree of TPS/nano‐SiO2 composites increased with the increase of retrogradation time and addition of nano‐SiO2. Scanning electron microscopy analysis indicated that nano‐SiO2 particles were uniformly and finely dispersed in the starch materials, but the nano‐SiO2 particles aggregated in the cassava starch with a further increase in nano‐SiO2 content. X‐ray diffraction revealed that the crystalline structure of the starch was gradually altered from A‐type to V‐type with the increase of retrogradation time. TPS/SiO2 composites indicated a mixture of A+V types, and the intensity of the V‐type strengthened with the increase of retrogradation time and SiO2 content. Polarized light microscopy analysis revealed clear Maltese cross patterns, and the number of spherulites in TPS/nano‐SiO2 composites increased with increasing retrogradation time and nano‐SiO2 content, but the retrogradation of starch was inhibited with further increases of nano‐SiO2 content. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45687.
Development of acrylated soybean oil‐based UV‐curable coatings with high impact strength from low viscosity oligomer
Authors: Liu Hongjie , Lu Wenchao , Liu Shaojie
Published: August 2017

In recent years, more and more attention has been paid to bio‐based materials due to their sustainability and environmental friendliness. The combination of biomass and ultraviolet (UV) curing technology can reduce the dependence on petroleum products and emissions of volatile organic compounds. In this article, a new environment‐friendly UV‐curable coating with good performances was successfully prepared from acrylated soybean oil (ACSO). ACSO was obtained at low temperature without catalyst and inhibitor by reacting soybean oil‐based polyol with acryloyl chloride and characterized by Fourier transform infrared spectroscopy and nuclear magnetic resonance. It was found that the UV‐curable oligomer of ACSO had lower viscosity and better ductility, compared to acrylated epoxidized soybean oil (AESO). The properties of UV‐cured films prepared by ACSO were studied and compared with films from AESO. The results showed that the ACSO‐based films were significantly improved in the adhesion and impact resistance. Furthermore, the addition of styrene could enhance the hardness and impact resistance of films. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45698.
Corporate Carbon and Financial Performance: The Role of Emission Reductions
Authors: Lewandowski Stefan
Published: August 2017

This article uses econometric techniques to examine the effect of corporate carbon performance on corporate financial performance. I extend the existing literature in this research field by differentiating between two measurement perspectives: carbon performance expressed as annually reported carbon dioxide (CO2) emission equivalents and improvements in carbon performance over time. Thereby, the article re‐addresses the research question ‘when and how does it pay to be green?’ in the context of carbon emissions and climate change mitigation. Using a nonlinear modeling technique, the findings indicate that it pays to be green for companies with superior carbon performance but not for companies with inferior carbon performance. The results also show that carbon emission mitigation is linearly and significantly positive related to return on sales (ROS) but negatively related to Tobin's q. These contradictory findings help us to understand why – in spite of growing regulatory pressure – companies have been slow to respond with effective action to tackle climate change beyond marginal efficiency improvements that correspond to ‘low‐hanging fruits’. The empirical analysis is based on an unbalanced sample of 7625 firm‐year observations covering carbon emission data (Scope 1 and Scope 2) for 1640 international firms from 2003 to 2015. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Combination therapy using molecular‐targeted drugs modulates tumor microenvironment and impairs tumor growth in renal cell carcinoma
Authors: Kitano Hiroyuki , Kitadai Yasuhiko , Teishima Jun , Yuge Ryo , Shinmei Shunsuke , Goto Keisuke , Inoue Shogo , Hayashi Tetsutaro , Sentani Kazuhiro , Yasui Wataru , Matsubara Akio
Published: August 2017

Tumor growth and metastasis are determined not by cancer cells alone but also by a variety of stromal cells, various populations of which overexpress platelet‐derived growth factor receptors (PDGF‐Rs). In addition, activation of PI3K‐AKT‐mammalian target of rapamycin (mTOR) signaling is frequently observed in many cancer types as well. mTOR comprises a serine/threonine kinase that increases the production of proteins that stimulate key cellular processes such as cell growth and proliferation, cell metabolism, and angiogenesis. In this study, we investigated the impact of molecular‐targeting agents including PDGF‐R and mTOR inhibitors on the tumor stroma of human kidney cancer and examined the efficacy of combination therapy with these agents against this disease. Treatment with sunitinib did not suppress tumor growth, but significantly decreased stromal reactivity, microvessel density, and pericyte coverage of tumor microvessels in an orthotopic mouse model. In contrast, treatment with everolimus decreased tumor growth and microvessel density but not stromal reactivity. However, sunitinib and everolimus in combination reduced both the growth rate and stromal reaction. These findings suggest that target molecule‐based inhibition of the cancer–stromal cell interaction appears promising as an effective antitumor therapy.
Promotion of cell proliferation by the proto‐oncogene DEK enhances oral squamous cell carcinogenesis through field cancerization
Authors: Nakashima Takayuki , Tomita Hiroyuki , Hirata Akihiro , Ishida Kazuhisa , Hisamatsu Kenji , Hatano Yuichiro , Kanayama Tomohiro , Niwa Ayumi , Noguchi Kei , Kato Keizo , Miyazaki Tatsuhiko , Tanaka Takuji , Shibata Toshiyuki , Hara Akira
Published: August 2017

Oral squamous cell carcinoma (OSCC) develops through a multistep carcinogenic process involving field cancerization. The DEK gene is a proto‐oncogene with functions in genetic and epigenetic modifications, and has oncogenic functions, including cellular proliferation, differentiation, and senescence. DEK overexpression is associated with malignancies; however, the functional roles of DEK overexpression are unclear. We demonstrated that DEK‐expressing cells were significantly increased in human dysplasia/carcinoma in situ and OSCC. Furthermore, we generated ubiquitous and squamous cell‐specific doxycycline (DOX)‐inducible Dek mice (iDek and iDek‐e mice respectively). Both DOX+ iDek and iDek‐e mice did not show differences in the oral mucosa compared with DOX‐ mice. In the environment exposed to carcinogen, DOX‐treated (DOX+) iDek mice showed field cancerization and OSCC development. Microarray analysis revealed that DEK overexpression was mediated by the upregulation of DNA replication‐ and cell cycle‐related genes, particularly those related to the G1/S transition. Tongue tumors overexpressing DEK showed increased proliferating cell nuclear antigen and elongator complex protein 3 expression. Our data suggest that DEK overexpression enhanced carcinogenesis, including field cancerization, in OSCC by stimulating the G1/S phase transition and promoting DNA replication, providing important insights into the potential applications of DEK as a target in the treatment and prevention of OSCC.
Fraxitoxin, a New Isochromanone Isolated from Diplodia fraxini
Authors: Cimmino Alessio , Maddau Lucia , Masi Marco , Linaldeddu Benedetto T. , Pescitelli Gennaro , Evidente Antonio
Published: August 2017

A new isochromanone, named fraxitoxin, was isolated together with (–)‐mellein and tyrosol from liquid cultures of Diplodia fraxini, a pathogen involved in the etiology of canker and dieback disease of Fraxinus spp. in Europe. It was characterized as 5‐methoxy‐3‐methylisochroman‐1‐one using spectroscopic methods (essentially NMR and HR‐EI‐MS). Its absolute configuration (R) at C(3) was assigned by electronic circular dichroism (ECD) measurements and calculations. Phytotoxic activity of the compound was evaluated on ash, cork and holm oak leaves at concentration of 1 mg/ml by the leaf‐puncture assay. Interestingly, fraxitoxin caused necrotic lesions only on ash leaves.
Specific Detection of Extended‐Spectrum β‐Lactamase Activities with a Ratiometric Fluorescent Probe
Authors: Mao Wuyu , Qian Xiana , Zhang Jian , Xia Lingying , Xie Hexin
Published: August 2017

The dissemination of antimicrobial resistance around the world is one of the biggest threats to global public health. The acquisition and expression of extended‐spectrum β‐lactamases (ESBLs) in pathogenic bacterial are mainly responsible for bacterial resistance to third‐generation cephalosporins. Reported herein is a ratiometric fluorescent probe for the detection of the activity of ESBLs. This imaging reagent adopts the core structure of cefotaxime as an enzymatic recognition moiety, and exhibits excellent selectivity to ESBLs over other β‐lactamases. The specific activation of this sensor by ESBLs can lead to over 2500‐fold changes in the fluorescent ratio, which is independent of the concentration of the probe and environmental conditions. Further experiments have demonstrated that this ratiometric fluorescent probe can distinguish bacteria with extended‐spectrum antibiotic resistance from a group of clinically important pathogens within a short period of time.
The CLOSER trial: a multi‐center study on the clinical safety and effectiveness of CloserTM VSS, a novel resorbable transfemoral vascular access sealing system
Authors: Wong S. Chiu , Gammon Roger , Bachinsky William , O'Shaughnessy Charles , Leimbach Wayne , Bernardo Nelson , Cavros Nick , Jaff Michael R. , Liu Ping‐Yu , Bergman Geoffrey
Published: August 2017

Objectives

To evaluate the safety and effectiveness of the Closer Vascular Sealing System (VSS) against prespecified performance goals (PGs) in sealing femoral arterial access following 5–7 Fr procedures.

Background

Inconsistent safety profiles, costs and learning curves of earlier generation vascular closure devices have limited their widespread use following transfemoral procedures.

Methods

In this prospective single‐arm, multi‐center trial, we compared the clinical outcomes in patients undergoing 5–7 Fr transfemoral diagnostic or interventional procedures and access sites managed with Closer VSS against pre‐specified PGs. The primary endpoints were time to hemostasis (TTH) and 30‐day access site closure‐related major complications; secondary endpoints included time to ambulation (TTA), time to discharge eligibility (TTDE), time to discharge (TTD), 30‐day access site minor complications, procedure and device success.

Results

A total of 220 subjects (49.5% interventional) were enrolled. The mean TTH was 1.78 ± 7.81 min in the intention to treat and 0.98 ± 3.71 min in the per protocol cohort. Median TTH was 0 min with immediate hemostasis achieved in 80.5% of subjects, mean TTA was 2.50 ± 1.05 hr, and mean TTDE was 2.83 ± 1.54 hr. Thirty‐day follow‐up was completed on 219 subjects. There were no access site closure‐related major complications, minor complication rate was 0.0% for diagnostic and 2.75% for interventional procedures.

Conclusions

In patients undergoing 5–7 Fr transfemoral diagnostic and interventional procedures, the CLOSER Trial met both its primary effectiveness and safety PGs. Immediate hemostasis was achieved in the majority of patients without major complication.
Immobilization of Pyrene‐Adorned N‐Heterocyclic Carbene Complexes of Rhodium(I) on Reduced Graphene Oxide and Study of their Catalytic Activity
Authors: Ruiz‐Botella Sheila , Peris Eduardo
Published: August 2017

Two pyrene‐tagged N‐heterocyclic carbene (NHC) complexes of rhodium(I) were obtained and characterized. The two complexes were supported onto reduced graphene oxide (rGO), generating two new materials in which the molecular complexes are immobilized by π–π stacking interactions onto the surface of the solid. The catalytic activity of both complexes and solid hybrid materials were studied in the 1,4‐addition of phenylboronic acid to cyclohex‐2‐one, and in the hydrosilylation of terminal alkynes. The studies showed that for both reactions, the dimetallic complex displayed better catalytic performances than the monometallic one. This accounted for both the reactions performed in homogeneous conditions and for the reactions performed with the solid. In the case of the addition of phenylboronic acid to cyclohexanone, the solid containing the dimetallic catalyst could be effectively recycled up to five times, with negligible loss of activity, whereas the monometallic catalyst rapidly became inactive. In the hydrosilylation of terminal alkynes, the selectivity towards the β‐(Z)vinylsilane was improved if the immobilized dimetallic catalyst was used, although the catalyst started to lose activity after the second run.
Solid Phase Stepwise Synthesis of Polyethylene Glycols
Authors: Khanal Ashok , Fang Shiyue
Published: August 2017

Polyethylene glycol (PEG) and derivatives with eight and twelve ethylene glycol units were synthesized by stepwise addition of tetraethylene glycol monomers on a polystyrene solid support. The monomer contains a tosyl group at one end and a dimethoxytrityl group at the other. The Wang resin, which contains the 4‐benzyloxy benzyl alcohol function, was used as the support. The synthetic cycle consists of deprotonation, Williamson ether formation (coupling), and detritylation. Cleavage of PEGs from solid support was achieved with trifluoroacetic acid. The synthesis including monomer synthesis was entirely chromatography‐free. PEG products including those with different functionalities at the two termini were obtained in high yields. The products were analyzed with ESI and MALDI‐TOF MS and were found close to monodispersity.
Valproic Acid‐Functionalized Cyclometalated Iridium(III) Complexes as Mitochondria‐Targeting Anticancer Agents
Authors: Ye Rui‐Rong , Cao Jian‐Jun , Tan Cai‐Ping , Ji Liang‐Nian , Mao Zong‐Wan
Published: August 2017

Valproic acid (VPA) is a short‐chain, fatty acid type histone deacetylase inhibitor (HDACi), which can cause growth arrest and induce differentiation of transformed cells. Phosphorescent cyclometalated IrIII complexes have emerged as potential anticancer agents. By conjugation of VPA to IrIII complexes through an ester bond, VPA‐functionalized cyclometalated iridium(III) complexes 1 a–3 a were designed and synthesized. These complexes display excellent two‐photon properties, which are favorable for live‐cell imaging. The ester bonds in 1 a–3 a can be hydrolyzed quickly by esterase and display similar inhibition of HDAC activity to VPA. Notably, 1 a–3 a can overcome cisplatin resistance effectively and are about 54.5–89.7 times more cytotoxic than cisplatin against cisplatin‐resistant human lung carcinoma (A549R) cells. Mechanistic studies indicate that 1 a–3 a can penetrate into human cervical carcinoma (HeLa) cells quickly and efficiently, accumulate in mitochondria, and induce a series of cell‐death‐related events mediated by mitochondria. This study gives insights into the design and anticancer mechanisms of multifunctional anticancer agents.
Hydrogels Based on Ag+‐Modulated Assembly of 5′‐Adenosine Monophosphate for Enriching Biomolecules
Authors: Hu Yuanyuan , Xie Dong , Wu Yang , Lin Nangui , Song Aixin , Hao Jingcheng
Published: August 2017

Supramolecular hydrogels obtained by combining 5′‐adenosine monophosphate (AMP) with Ag+ were fabricated in this work. Their gelation capability was enhanced by increasing the concentration of Ag+ or decreasing the pH. The gels are very sensitive to light, which endows them with potential applications as visible‐light photosensitive materials. Coordination between the nucleobase of AMP and Ag+, as well as π–π stacking of nucleobases, are considered to be the main driving forces for self‐assembly. The hydrogels successfully achieved the encapsulation and enrichment of biomolecules. Hydrogen bonding between the amino group of guest molecules and silver nanoparticles along the nanofibers drives the enrichment and is considered to be a crucial interaction.
Selective F or Br Functionalization of Dibenzofuran for Application as Host Materials of Phosphorescent Organic Light‐Emitting Diodes
Authors: Yu Ji Gwang , Byeon Sung Yong , Han Si Hyun , Lee Jun Yeob
Published: August 2017

Four dibenzofuran‐type host materials substituted with a carbazolylcarbazole moiety were synthesized to investigate the effect of substitution position on the material parameters and device performances of host materials. The carbazolylcarbazole moiety was substituted at the 1‐, 2‐, 3‐, and 4‐positions of dibenzofuran by F or Br for a comprehensive study of the positional effect of dibenzofuran‐derived host materials. Systematic synthesis and comparison of the four host materials revealed that 1‐, 2‐, and 4‐position modification was better than 3‐position modification for high triplet energy and high external quantum efficiency.
Metal‐Mediated Base Pairs: From Characterization to Application
Authors: Jash Biswarup , Müller Jens
Published: August 2017

The investigation of metal‐mediated base pairs and the development of their applications represent a prominent area of research at the border of bioinorganic chemistry and supramolecular coordination chemistry. In metal‐mediated base pairs, the complementary nucleobases in a nucleic acid duplex are connected by coordinate bonds to an embedded metal ion rather than by hydrogen bonds. Because metal‐mediated base pairs facilitate a site‐specific introduction of metal‐based functionality into nucleic acids, they are ideally suited for use in DNA nanotechnology. This minireview gives an overview of the general requirements that need to be considered when devising a new metal‐mediated base pair, both from a conceptual and from an experimental point of view. In addition, it presents selected recent applications of metal‐modified nucleic acids to indicate the scope of metal‐mediated base pairing.
Lanthanide Fluorobenzoates as Bio‐Probes: a Quest for the Optimal Ligand Fluorination Degree
Authors: Kalyakina Alena S. , Utochnikova Valentina V. , Bushmarinov Ivan S. , Le‐Deygen Irina M. , Volz Daniel , Weis Patrick , Schepers Ute , Kuzmina Natalia P. , Bräse Stefan
Published: August 2017

The thorough study of fluorinated benzoates of lanthanides (Eu, Tb, Nd, Er, Yb, Gd, La, Lu) is reported. Their composition in single crystal and powder state revealed two predominant structural motifs. An in‐depth luminescence study has been performed on the reported fluorobenzoates, showing, that terbium and europium complexes in solid state possess high luminescence intensity with the quantum yield of up to 69 %. High solubility in most organic solvents, as well as in water, combined with the high luminescence intensity in water solution and non‐toxicity allowed the testing of europium complexes as bioprobes in cellulo. Among all tested fluorobenzoates, europium 2‐fluorobenzoate dihydrate combined the best luminescent properties, thermodynamic stability, aqueous solubility, and non‐toxicity, and was shown to be a viable bio‐marker.
Self‐Assembly of Heterogeneously Shaped Nanoparticles into Plasmonic Metamolecules on DNA Origami
Authors: Liu Wenyan , Li Ling , Yang Shuo , Gao Jie , Wang Risheng
Published: August 2017

Fabrication of plasmonic metamolecules (PMs) with rationally designed complexity is one of the major goals of nanotechnology. Most self‐assembled PMs, however, have been constructed using single‐component systems. The corresponding plasmonic assemblies still suffer from the lack of complexity, which is required to achieve a high degree of functionality. Here, we report a general applicable strategy that can realize a series of high‐ordered hetero‐PMs using bottom‐up DNA self‐assembly. DNA‐functionalized differently shaped nanoparticles were deliberately arranged in prescribed positions on 3D triangular DNA origami frames to form various hetero‐PMs. Importantly, we showed that the optical properties of assembled PMs could be facially tuned by selectively regulating the position of each component. This method provides a promising pathway for manufacturing more complex and advanced materials by integrating diverse nanocomponents with particular properties.
C−H Cyanation of 6‐Ring N‐Containing Heteroaromatics
Authors: Elbert Bryony L. , Farley Alistair J. M. , Gorman Timothy W. , Johnson Tarn C. , Genicot Christophe , Lallemand Bénédicte , Pasau Patrick , Flasz Jakub , Castro José L. , MacCoss Malcolm , Paton Robert S. , Schofield Christopher J. , Smith Martin D. , Willis Michael C. , Dixon Darren J.
Published: August 2017

Heteroaromatic nitriles are important compounds in drug discovery, both for their prevalence in the clinic and due to the diverse range of transformations they can undergo. As such, efficient and reliable methods to access them have the potential for far‐reaching impact across synthetic chemistry and the biomedical sciences. Herein, we report an approach to heteroaromatic C−H cyanation through triflic anhydride activation, nucleophilic addition of cyanide, followed by elimination of trifluoromethanesulfinate to regenerate the cyanated heteroaromatic ring. This one‐pot protocol is simple to perform, is applicable to a broad range of decorated 6‐ring N‐containing heterocycles, and has been shown to be suitable for late‐stage functionalization of complex drug‐like architectures.
Enantioselective resolution of 4‐chloromandelic acid by liquid–liquid extraction using 2‐chloro‐N‐carbobenzyloxy‐L‐amino acid
Authors: Lu Ruichen , He Quan , Feng Cai , Peng Yangfeng
Published: August 2017

A liquid–liquid extraction resolution of 4‐chloro‐mandelic acid (4‐ClMA) was studied by using 2‐chloro‐N‐carbobenzyloxy‐L‐amino acid (2‐Cl‐Z‐AA) as a chiral extractant. Important factors affecting the extraction efficiency were investigated, including the type of chiral extractant, pH value of aqueous phase, initial concentration of chiral extractant in organic phase, initial concentration of 4‐ClMA in aqueous phase, and resolution temperature. It was observed that the concentration of (R)‐4‐ClMA was much higher than that of (S)‐4‐ClMA in organic phase due to a higher stability of the complex formed between (R)‐4‐ClMA and 2‐Cl‐Z‐AA. A separation factor (α) of 3.05 was obtained at 0.02 mol/L 2‐Cl‐Z‐Valine dissolved in dichloromethane, pH of 2.0, concentration of 4‐ClMA of 0.11 mmol/Land T of 296.7K.
Integrated Dynamic Optimization and Scheduling of Polymerization Processes with First Principle Models
Authors: Nie Yisu , Biegler Lorenz T.
Published: August 2017

An integrated dynamic optimization strategy is presented for block copolymerization processes. First the reactor model, which has unstable modes and may lead to unbounded profiles under certain design and operating conditions, is derived. Second, optimal recipes for operating of the copolymerization process are determined. Finally, an optimization strategy for the integration of scheduling and dynamic process operation for general continuous/batch processes is considered. The resulting approach leads to significant improvements in productivity, while maintaining safe operation and satisfaction of product specifications.
Comprehensive multi‐objective model to remote sensing data processing task scheduling problem
Authors: Xing Lining , Li Wen , He Minfan , Tan Xu
Published: August 2017

Scientific scheduling of limited resource plays an important role in the remote sensing data processing. The remote sensing data processing task scheduling is characterized as one novel comprehensive multi‐objective model. In this proposed model, the remote sensing data processing task scheduling problem is divided into task dispensation and task scheduling sub‐problem with hundreds of variables being considered in it. In order to effectively solve this problem, Bayes belief model is applied to generate the initial dispensation plan, and learnable ant colony optimization is proposed to solve task scheduling sub‐problem. Experimental results suggest that the proposed comprehensive multi‐objective model and its solving methods are feasible and efficient to remote sensing data processing task scheduling, and it also promotes processing centers interoperability among heterogeneous and dispersed processing center. The model and the method of this paper can provide a valuable reference for solving other complex scheduling problem.
Modeling analysis of Intelligent Manufacturing System based on SDN
Authors: Bai Yun
Published: August 2017

Intelligent Manufacturing contains software composed fundamentally of computing, storage, and networking resources. Software‐defined network (SDN) is a new architecture of network. The separation of network control plane and network data forwarding plane and the realization of programmable control is the design concept of SDN. This paper analyzes the characteristics and meaning of intelligent manufacturing systems, which leads to problems facing the Intelligent Manufacturing System, and then dispersing the benefits of SDN. This made the combination of intelligent manufacturing systems SDN concept model. The article makes a deep research on Intelligent Manufacturing from the aspects of technical connotation, equipment model, etc.
Linguistic techniques for cryptographic data sharing algorithms
Authors: Ogiela Urszula , Ogiela Lidia
Published: August 2017

This publication presents algorithms for protecting data from unauthorised access to it. A special role among information protection algorithms is played by algorithms of data splitting and sharing which allow the information to be distributed within a selected group of secret trustees. This paper describes protocols of the above type and also suggests a way of using the proposed solutions for linguistic information sharing. Linguistic message–sharing algorithms are described as a class of protocols for protecting data with its possible semantic interpretation. This is because the semantic analysis allows the content‐based interpretation of various information sets. The proposed methods are very useful from different points of view. Authors would like to present one possible application which is cognitive service management and data‐sharing systems applied for cloud computing.
Sensitive Photoacoustic IR Spectroscopy for the Characterization of Amino/Azido Mixed‐Linker Metal–Organic Frameworks
Authors: Canivet Jerome , Lysenko Vladimir , Lehtinen Jaakko , Legrand Alexandre , Wisser Florian M. , Quadrelli Elsje Alessandra , Farrusseng David
Published: August 2017

Photoacoustic Fourier‐transform infrared spectroscopy makes it possible to determine the organic composition of mixed‐linker metal–organic frameworks. The sound produced upon IR irradiation enables the discrimination of azido and amino linkers in three different MOF platforms with a sensitivity that is two orders of magnitude higher than that achieved using classic IR analysis.
Reducing the time until psychotherapy initiation reduces sick leave duration in participants diagnosed with anxiety and mood disorders
Authors: Alonso Sandra , Marco José H. , Andani Joaquín
Published: August 2017

Background

Sick leave in patients with a mental disorder is characterized by having a long duration. Studies suggest that the time until a patient on sick leave for a common mental health disorder initiates evaluation and treatment by a healthcare professional is an important factor in the duration of the sick leave. However, in these studies, the intervention was not performed by a mental health specialist. The aim of this study was to find out whether the length of sick leave was associated with the time before initiating psychotherapy, age, time until returning to work after psychotherapy ends, and duration of psychotherapy. In a further analysis, we examined whether the model composed of age, duration of psychotherapy, and time before initiating psychotherapy predicted the length of sick leave.

Method

The sample consisted of 2,423 participants, 64.1% (n = 1,554) women and 35.9% (n = 869) men, who were on sick leave for anxiety disorders or depressive disorder.

Results

The total duration of the sick leave of participants diagnosed with depression and anxiety was positively associated with the time before beginning psychotherapy. Time before beginning psychotherapy predicted the length of sick leave when the variables age and duration of psychotherapy were controlled.

Conclusion

It is necessary to reduce the time until beginning psychotherapy in people on sick leave for common mental disorders.
Intraoperative crush smear cytology of vertebral chondroblastoma: A diagnostic challenge
Authors: Tathe Shilpa P. , Parate Sanjay N. , Jaiswal Kirti N. , Randale Archana A.
Published: August 2017

Chondroblastoma is a rare, cartilage producing primary neoplasm of the bone. Although generally benign, chondroblastoma is placed in the “intermediate, rarely metastasizing” category in the 2013 World Health Organization classification of bone tumors. It typically involves the epiphysis of long tubular bones and is exceptionally located in the vertebral column. To the best of our knowledge, less than 35 cases of vertebral chondroblastoma have been reported in the literature. We report a case of chondroblastoma involving D6‐D7 vertebrae in a 17‐year‐old male patient, diagnosed on intraoperative crush cytology and later confirmed on histopathology. Intraoperative crush cytology is rarely been used for the diagnosis of bone lesions. Till date, this is the third case of vertebral chondroblastoma being diagnosed on cytology and first case being diagnosed on intraoperative crush smear cytology. Previous two cases were diagnosed on fine‐needle aspiration cytology. Chondroblastoma possesses distinct and diagnostic cytological features, which allows correct diagnosis even in the rarer locations like vertebral column. Crush cytology can be helpful in the rapid intraoperative diagnosis of vertebral chondroblastoma leading to early proper management of the patient.
Cytological markers for predicting ALK‐positive pulmonary adenocarcinoma
Authors: Miyata K. , Morita S. , Dejima H. , Seki N. , Matsutani N. , Mieno M. , Kondo F. , Soejima Y. , Tanaka F. , Sawabe M.
Published: August 2017

Background

ALK gene rearrangement is an important class of gene mutations in pulmonary adenocarcinoma. ALK‐positive pulmonary adenocarcinoma exhibits characteristic histological features, such as signet ring cell carcinoma (SRCC) and a mucinous cribriform structure. However, when insufficient histological specimens are obtained, ALK‐positivity must be predicted based on cytological features. The purpose of this study was to clarify the cytological characteristics of ALK‐positive pulmonary adenocarcinoma.

Methods

We compared the cytological findings of 16 ALK‐positive cases with 40 ALK‐negative cases. We examined various cytoplasmic features of SRCC, including the presence of pink, yellow, or orange mucin; green, vacuolar, or vesicular cytoplasm; and green globular cytoplasmic secretions. We also examined whether the SRCC cells exhibited a pattern of individually scattered cells, the formation of cell clusters, and formation of a mucinous cribriform pattern.

Results

A univariate analysis showed that significantly frequent cytological findings included pink mucin, green cytoplasm, vacuolar cytoplasm, vesicular cytoplasm, green globular cytoplasmic secretions, an individually scattered pattern, cluster formation, and a mucinous cribriform structure (all, P < .05). A stepwise multivariate logistic regression analysis identified three significant contributing factors: pink mucin (P = .03), vesicular cytoplasm (P = .06), and an individually scattered pattern (P = .01) of SRCC. If the specimens showed two or three of these features, the sensitivity and specificity were both 88% for the prediction of ALK‐positive cancers.

Conclusion

Three cytological features of SRCC (pink mucin, vesicular cytoplasm, and an individually scattered pattern) could be useful cytological markers for the prediction of ALK‐positive pulmonary adenocarcinoma.
An assessment of hair cortisol among postpartum Brazilian mothers and infants from a high‐risk community in São Paulo: Intra‐individual stability and association in mother–infant dyads
Authors: Liu Cindy H. , Fink Günther , Brentani Helena , Brentani Alexandra
Published: August 2017

This study examined maternal–infant synchrony of hair cortisol at 12 months after birth and the intra‐individual stability of maternal hair cortisol in the postpartum period. Participants were selected from an ongoing São Paulo birth cohort project, where families are considered to be “high‐risk” due to their chronic stress experiences, with the majority living in slums (favelas). Cortisol was collected through 3‐cm segments of hair samples, with values representing approximate levels of cortisol from 9 to 12 months for mothers and children and 6 to 12 months for mothers. Maternal and infant cortisol values reflecting chronic stress 9–12 months after birth were highly correlated (r = .61, p < .001); earlier maternal cortisol levels (6–9 months) and child cortisol levels at 9–12 months (r = .51, p < .001) were also correlated. Maternal cortisol values showed stability over time (r = .79, p < .001). These maternal–infant correlations are high compared to the existing literature on hair cortisol in other mother–child dyads, suggesting stronger synchrony under high‐risk contexts where families are faced with challenging circumstances.
Single and combined effects of inflammatory markers on 10 year diabetes incidence: The mediating role of adiposity—Results from the ATTICA cohort study
Authors: Koloverou Efi , Panagiotakos Demosthenes B. , Georgousopoulou Ekavi N. , Chrysohoou Christina , Tousoulis Dimitrios , Stefanadis Christodoulos , Pitsavos Christos ,   ATTICA Study Group
Published: August 2017

Background

The role of inflammation in diabetes development is not fully elucidated. The aim of this work was to investigate the independent effect of individual inflammatory markers and combinations of them on diabetes incidence and the potential mediating role of obesity.

Methods

In 2001 to 2002, a random sample of 1514 men (18‐87 years old) and 1528 women (18‐89 years old) was selected to participate in the ATTICA study, where Athens is a major metropolis. Interleukin‐6 (IL‐6), C‐reactive protein (CRP), tumour necrosis factor‐alpha, serum amyloid alpha, fibrinogen, and homocysteine were measured. Covariates included various clinical, demographic, and lifestyle characteristics, assessed with standard procedures. In 2012, the 10 year follow‐up was performed. Diabetes diagnosis was defined according to American Diabetes Association criteria among n = 1485 participants.

Results

One hundred ninety‐one incident cases of diabetes were documented, yielding an incidence of 12.9% (13.4% in men and 12.4% in women). After adjustments, only elevated IL‐6 increased by 2.2 times the 10 year diabetes risk (third vs first tertile, 95% CI: 1.13, 4.28). After investigating combinations of inflammatory markers, combined elevated levels of CRP and IL‐6 or CRP and fibrinogen (both markers ≥75th percentile vs <75th percentile) increased the risk by 1.93 times (95% CI: 1.20, 3.08) and 2.37 times (95% CI: 1.37, 4.16), respectively. Body mass index was found to significantly mediate the aggravating effect of inflammation.

Conclusions

The reported results underline the significant role of individual IL‐6 or combinations of CRP‐IL‐6 and CRP‐fibrinogen in diabetes prediction. Adiposity seems to be primarily responsible for an increase in inflammatory markers, leading through this mechanism to insulin resistance and increasing diabetes risk.
Intrinsic and adaptive myelination—A sequential mechanism for smart wiring in the brain
Authors: Bechler Marie E. , Swire Matthew , ffrench‐Constant Charles
Published: August 2017

The concept of adaptive myelination—myelin plasticity regulated by activity—is an important advance for the field. What signals set up the adaptable pattern in the first place? Here we review work that demonstrates an intrinsic pathway within oligodendrocytes requiring only an axon‐shaped substrate to generate multilayered and compacted myelin sheaths of a physiological length. Based on this, we discuss a model we proposed in 2015 which argues that myelination has two phases—intrinsic and then adaptive—which together generate “smart wiring,” in which active axons become more myelinated. This model explains why prior studies have failed to identify a signal necessary for central nervous system myelination and argues that myelination, like synapses, might contribute to learning by the activity‐dependent modification of an initially hard‐wired pattern. © 2017 The Authors. Developmental Neurobiology Published by Wiley Periodicals, Inc. Develop Neurobiol 78: 68–79, 2018