bluuebunny/crossref_metadata_2025 huggingface dataset:
Stapled BIG3 helical peptide ERAP potentiates anti-tumour activity for breast cancer therapeutics
Authors: Yoshimaru Tetsuro , Aihara Keisuke , Komatsu Masato , Matsushita Yosuke , Okazaki Yasumasa , Toyokuni Shinya , Honda Junko , Sasa Mitsunori , Miyoshi Yasuo , Otaka Akira , Katagiri Toyomasa
Published: May 2017

Estradiol (E2) and the oestrogen receptor-alpha (ERα) signalling pathway play pivotal roles in the proliferative activity of breast cancer cells. Recent findings show that the brefeldin A-inhibited guanine nucleotide-exchange protein 3-prohibitin 2 (BIG3-PHB2) complex plays a crucial role in E2/ERα signalling modulation in breast cancer cells. Moreover, specific inhibition of the BIG3-PHB2 interaction using the ERα activity-regulator synthetic peptide (ERAP: 165–177 amino acids), derived from α-helical BIG3 sequence, resulted in a significant anti-tumour effect. However, the duration of this effect was very short for viable clinical application. We developed the chemically modified ERAP using stapling methods (stapledERAP) to improve the duration of its antitumour effects. The stapledERAP specifically inhibited the BIG3-PHB2 interaction and exhibited long-lasting suppressive activity. Its intracellular localization without the membrane-permeable polyarginine sequence was possible via the formation of a stable α-helix structure by stapling. Tumour bearing-mice treated daily or weekly with stapledERAP effectively prevented the BIG3-PHB2 interaction, leading to complete regression of E2-dependent tumours in vivo. Most importantly, combination of stapledERAP with tamoxifen, fulvestrant, and everolimus caused synergistic inhibitory effects on growth of breast cancer cells. Our findings suggested that the stapled ERAP may be a promising anti-tumour drug to suppress luminal-type breast cancer growth.
Fine-tune regulation of carboxypeptidase N1 controls vascular patterning during zebrafish development
Authors: Wu Ting-Yun , Wang Yi-Shan , Song Yi-Chun , Chen Zih-Ying , Chen Yi-Ting , Chiu Chien-Chih , Wu Chang-Yi
Published: May 2017

Vascular development is regulated by complicated signals and molecules in vertebrates. In this study, we characterized a novel function of carboxypeptidase N1 (Cpn1) in the vasculature. We show that cpn1 mRNA is expressed in developing vessels. The knockdown of cpn1 by morpholino injection impairs the growth of intersegmental vessels (ISV) and caudal vein plexus (CVP), suggesting the role of cpn1 in vascular development. We showed that vascular defects are not caused by cell death but are due to the impairment of migration and proliferation. Consistent with vascular growth defects, loss of cpn1 affects the expression of the vascular markers flt4, mrc1, flk, stabilin, and ephrinb2. Furthermore, the overexpression of cpn1 impaired the growth of ISV and CVP, but the remodeling expression of vascular markers was different from the knockdown of cpn1, indicating the differential regulation mechanisms in cpn1-overexpressing embryos. We examine the interaction between cpn1 and multiple signals and observed that cpn1 is regulated by Notch/VEGF signals for ISV growth and likely regulates BMP signals for CVP patterning. In conclusion, we demonstrate that cpn1 has a critical role in the vascular development of zebrafish. We also reveal a fine-tune regulation of cpn1 that controls vascular patterning mediated by multiple signals.
Optical properties of monolayer tinene in electric fields
Authors: Chen Rong-Bin , Chen Szu-Chao , Chiu Chih-Wei , Lin Ming-Fa
Published: May 2017

The absorption spectra of monolayer tinene in perpendicular electric fields are studied by the tight-binding model. There are three kinds of special structures, namely shoulders, logarithmical symmetric peaks and asymmetric peaks in the square-root form, corresponding to the optical excitations of the extreme points, saddle points and constant-energy loops. With the increasing field strength, two splitting shoulder structures, which are dominated by the parabolic bands of 5p
z
orbitals, come to exist because of the spin-split energy bands. The frequency of threshold shoulder declines to zero and then linearly grows. The third shoulder at 0.75~0.85 eV mainly comes from (5p
x
, 5p
y
) orbitals. The former and the latter orbitals, respectively, create the saddle-point symmetric peaks near the M point, while they hybridize with one another to generate the loop-related asymmetric peaks. Tinene quite differs from graphene, silicene, and germanene. The special relationship among the multi-orbital chemical bondings, spin-orbital couplings and Coulomb potentials accounts for the feature-rich optical properties.
Network and role analysis of autophagy in Phytophthora sojae
Authors: Chen Linlin , Zhang Xiong , Wang Wen , Geng Xuejing , Shi Yan , Na Risong , Dou Daolong , Li Honglian
Published: May 2017

Autophagy is an evolutionarily conserved mechanism in eukaryotes with roles in development and the virulence of plant fungal pathogens. However, few reports on autophagy in oomycete species have been published. Here, we identified 26 autophagy-related genes (ATGs) belonging to 20 different groups in Phytophthora sojae using a genome-wide survey, and core ATGs in oomycetes were used to construct a preliminary autophagy pathway model. Expression profile analysis revealed that these ATGs are broadly expressed and that the majority of them significantly increase during infection stages, suggesting a central role for autophagy in virulence. Autophagy in P. sojae was detected using a GFP-PsAtg8 fusion protein and the fluorescent dye MDC during rapamycin and starvation treatment. In addition, autophagy was significantly induced during sporangium formation and cyst germination. Silencing PsAtg6a in P. sojae significantly reduced sporulation and pathogenicity. Furthermore, a PsAtg6a-silenced strain showed haustorial formation defects. These results suggested that autophagy might play essential roles in both the development and infection mechanism of P. sojae.
Structural studies of the periplasmic portion of the diguanylate cyclase CdgH from Vibrio cholerae
Authors: Xu Min , Wang Yi-Zhi , Yang Xiu-An , Jiang Tao , Xie Wei
Published: May 2017

Cyclic diguanylate monophosphate (c-di-GMP) is a second messenger involved in bacterial signal transduction and produced by diguanylate cyclases (DGCs) generally containing highly variable periplasmic signal-recognition domains. CdgH is a DGC enzyme that regulates rugosity associated phenotypes in Vibrio cholerae. CdgH has two N-terminal tandem periplasmic substrate-binding (PBPb) domains for its signal recognition; however, the role of the tandem PBPb domains remains unclear. Here, we reported the crystal structure of the periplasmic portion of CdgH, which indicated that both tandem PBPb domains consist of typical interlobe ligand-binding architecture. Unexpectedly, the PBPb-I domain binds an L-arginine which apparently has been co-purified from the E. coli expression system, whereas the PBPb-II domain is in an unliganded open state. Structural comparison with other amino acid-binding proteins indicated that despite similar ligand-binding pockets, the PBPb-I domain possesses two ligand-binding residues (E122 and Y148) not conserved in homologs and involved in hydrophilic and hydrophobic interactions with L-arginine. Isothermal titration calorimetry indicated that the PBPb-I is primarily an L-arginine/L-lysine/L-ornithine-binding domain, whereas the PBPb-II domain exhibits a preference for L-glutamine and L-histidine. Remarkably, we found that the periplasmic portion of CdgH forms a stable dimer in solution and L-arginine binding would cause conformational changes of the dimer.
Characterization of prophages of Lactococcus garvieae
Authors: Eraclio Giovanni , Fortina Maria G. , Labrie Simon J. , Tremblay Denise M. , Moineau Sylvain
Published: May 2017

This report describes the morphological characterization and genome analysis of an induced prophage (PLg-TB25) from a dairy strain of Lactococcus garvieae. The phage belongs to the Siphoviridae family and its morphology is typical of other lactococcal phages. A general analysis of its genome did not reveal similarities with other lactococcal phage genomes, confirming its novelty. However, similarities were found between genes of its morphogenesis cluster and genes of Gram-positive bacteria, suggesting that this phage genome resulted from recombination events that took place in a heterogeneous microbial environment. An in silico search for other prophages in 16 L. garvieae genomes available in public databases, uncovered eight seemingly complete prophages in strains isolated from dairy and fish niches. Genome analyses of these prophages revealed three novel L. garvieae phages. The remaining prophages had homology to phages of Lactococcus lactis (P335 group) suggesting a close relationship between these lactococcal species. The similarity in GC content of L. garvieae prophages to the genomes of L. lactis phages further supports the hypothesis that these phages likely originated from the same ancestor.
A genome scan for milk production traits in dairy goats reveals two new mutations in Dgat1 reducing milk fat content
Authors: Martin Pauline , Palhière Isabelle , Maroteau Cyrielle , Bardou Philippe , Canale-Tabet Kamila , Sarry Julien , Woloszyn Florent , Bertrand-Michel Justine , Racke Ines , Besir Hüseyin , Rupp Rachel , Tosser-Klopp Gwenola
Published: May 2017

The quantity of milk and milk fat and proteins are particularly important traits in dairy livestock. However, little is known about the regions of the genome that influence these traits in goats. We conducted a genome wide association study in French goats and identified 109 regions associated with dairy traits. For a major region on chromosome 14 closely associated with fat content, the Diacylglycerol O-Acyltransferase 1 (DGAT1) gene turned out to be a functional and positional candidate gene. The caprine reference sequence of this gene was completed and 29 polymorphisms were found in the gene sequence, including two novel exonic mutations: R251L and R396W, leading to substitutions in the protein sequence. The R251L mutation was found in the Saanen breed at a frequency of 3.5% and the R396W mutation both in the Saanen and Alpine breeds at a frequencies of 13% and 7% respectively. The R396W mutation explained 46% of the genetic variance of the trait, and the R251L mutation 6%. Both mutations were associated with a notable decrease in milk fat content. Their causality was then demonstrated by a functional test. These results provide new knowledge on the genetic basis of milk synthesis and will help improve the management of the French dairy goat breeding program.
The complete chloroplast genome sequence of tung tree (Vernicia fordii): Organization and phylogenetic relationships with other angiosperms
Authors: Li Ze , Long Hongxu , Zhang Lin , Liu Zhiming , Cao Heping , Shi Mingwang , Tan Xiaofeng
Published: May 2017

Tung tree (Vernicia fordii) is an economically important tree widely cultivated for industrial oil production in China. To better understand the molecular basis of tung tree chloroplasts, we sequenced and characterized its genome using PacBio RS II sequencing platforms. The chloroplast genome was sequenced with 161,528 bp in length, composed with one pair of inverted repeats (IRs) of 26,819 bp, which were separated by one small single copy (SSC; 18,758 bp) and one large single copy (LSC; 89,132 bp). The genome contains 114 genes, coding for 81 protein, four ribosomal RNAs and 29 transfer RNAs. An expansion with integration of an additional rps19 gene in the IR regions was identified. Compared to the chloroplast genome of Jatropha curcas, a species from the same family, the tung tree chloroplast genome is distinct with 85 single nucleotide polymorphisms (SNPs) and 82 indels. Phylogenetic analysis suggests that V. fordii is a sister species with J. curcas within the Eurosids I. The nucleotide sequence provides vital molecular information for understanding the biology of this important oil tree.
Inflammatory bacteriome featuring Fusobacterium nucleatum and Pseudomonas aeruginosa identified in association with oral squamous cell carcinoma
Authors: Al-hebshi Nezar Noor , Nasher Akram Thabet , Maryoud Mohamed Yousef , Homeida Husham E. , Chen Tsute , Idris Ali Mohamed , Johnson Newell W.
Published: May 2017

Studies on the possible association between bacteria and oral squamous cell carcinoma (OSCC) remain inconclusive, largely due to methodological variations/limitations. The objective of this study was to characterize the species composition as well as functional potential of the bacteriome associated with OSCC. DNA obtained from 20 fresh OSCC biopsies (cases) and 20 deep-epithelium swabs (matched control subjects) was sequenced for the V1-V3 region using Illumina’s 2 × 300 bp chemistry. High quality, non-chimeric merged reads were classified to species level using a prioritized BLASTN-algorithm. Downstream analyses were performed using QIIME, PICRUSt, and LEfSe. Fusobacterium nucleatum subsp. polymorphum was the most significantly overrepresented species in the tumors followed by Pseudomonas aeruginosa and Campylobacter sp. Oral taxon 44, while Streptococcus mitis, Rothia mucilaginosa and Haemophilus parainfluenzae were the most significantly abundant in the controls. Functional prediction showed that genes involved in bacterial mobility, flagellar assembly, bacterial chemotaxis and LPS synthesis were enriched in the tumors while those responsible for DNA repair and combination, purine metabolism, phenylalanine, tyrosine and tryptophan biosynthesis, ribosome biogenesis and glycolysis/gluconeogenesis were significantly associated with the controls. This is the first epidemiological evidence for association of F. nucleatum and P. aeruginosa with OSCC. Functionally, an “inflammatory bacteriome” is enriched in OSSC.
Different Polyubiquitinated Bodies in Human Dendritic Cells: IL-4 Causes PaCS During Differentiation while LPS or IFNα Induces DALIS During Maturation
Authors: Montagna Daniela , Sommi Patrizia , Necchi Vittorio , Vitali Agostina , Montini Enrica , Turin Ilaria , Ferraro Daniela , Ricci Vittorio , Solcia Enrico
Published: May 2017

Two types of polyubiquitin-reactive cytoplasmic bodies, particulate cytoplasmic structures (PaCS) and dendritic cell (DC) aggresome-like induced structures (DALIS), were analyzed by electron microscopy, immunocytochemistry, immunoblotting, and flow cytometry in DC obtained from human blood monocytes incubated with GM-CSF plus IL-4 (IL4-DC), GM-CSF plus IFNα (IFN-DC), or GM-CSF alone (GM-DC), with or without LPS maturation. PaCS developed as monomorphic aggregates of proteasome-reactive barrel-like particles only in ribosomes-rich cytoplasmic areas of differentiating IL4-DC. In contrast, DALIS formed as vesicular bodies storing K63-linked ubiquitinated proteins by coalescence of increased endosomal structures, in IFN-DC or after LPS maturation of GM-DC. DALIS-forming cells showed incomplete morphological and functional DC-type differentiation when compared to PaCS-forming IL4-DC. PaCS and DALIS may have different function as well as different origin and cytochemistry. DALIS may be a transient accumulation site of potentially antigenic polyubiquitinated proteins during their processing and presentation. PaCS are found under physiologic or pathologic conditions associated with increased/deranged protein synthesis and increased ubiquitin–proteasome activity. Given its high heat-shock protein content PaCS may work as a quality control structure for newly synthesized, cytosolic proteins. This comparative analysis suggests that PaCS and DALIS have distinctive roles in DC.
Alterations of cerebral perfusion in asymptomatic internal carotid artery steno-occlusive disease
Authors: Chen Ya-Fang , Tang Sung-Chun , Wu Wen-Chau , Kao Hsien-Li , Kuo Yen-Shu , Yang Shun-Chung
Published: May 2017

Patients with asymptomatic occlusion in the internal carotid arteries (ICA) have been shown to have a better preserved hemodynamic status of the brain as compared to patients with symptoms. This study was aimed to explore the cerebral perfusion alterations in asymptomatic patients using multi-parametric arterial spin-labeling (ASL) magnetic resonance (MR) imaging. Forty-two patients diagnosed with asymptomatic ICA stenosis/occlusion were prospectively included and divided into high-grade (ultrasonographic stenosis ≥70%, N = 20) and low-grade groups (N = 22). On a 3-Tesla clinical MR scanner, pseudo-continuous ASL was performed to measure cerebral blood flow CBF, arterial transit time ATT, and flow territory. Fisher’s exact test indicates that the high-grade group has higher frequency in asymmetric ATT (p < 10−3) and asymmetric flow territory (p < 10−3) as compared to the low-grade group. The between-group difference in CBF asymmetry is marginal (p = 0.062). Logistic regression further reveals that hemispherical asymmetry in ATT and flow territory is associated with the existence of high-grade ICA stenosis (odds ratio = 12 and 21, respectively), whereas hemispherical asymmetry in CBF is not. Our data suggest that ATT and flow territory may be better predictors of asymptomatic high-grade ICA stenosis diagnosed by carotid ultrasonography than CBF.
Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography
Authors: Colloc’h Nathalie , Sacquin-Mora Sophie , Avella Giovanna , Dhaussy Anne-Claire , Prangé Thierry , Vallone Beatrice , Girard Eric
Published: May 2017

Investigating the effect of pressure sheds light on the dynamics and plasticity of proteins, intrinsically correlated to functional efficiency. Here we detail the structural response to pressure of neuroglobin (Ngb), a hexacoordinate globin likely to be involved in neuroprotection. In murine Ngb, reversible coordination is achieved by repositioning the heme more deeply into a large internal cavity, the “heme sliding mechanism”. Combining high pressure crystallography and coarse-grain simulations on wild type Ngb as well as two mutants, one (V101F) with unaffected and another (F106W) with decreased affinity for CO, we show that Ngb hinges around a rigid mechanical nucleus of five hydrophobic residues (V68, I72, V109, L113, Y137) during its conformational transition induced by gaseous ligand, that the intrinsic flexibility of the F-G loop appears essential to drive the heme sliding mechanism, and that residue Val 101 may act as a sensor of the interaction disruption between the heme and the distal histidine.
Twinning-induced plasticity (TWIP) and work hardening in Ti-based metallic glass matrix composites
Authors: Fan J. , Qiao J. W. , Wang Z. H. , Rao W. , Kang G. Z.
Published: May 2017

The present study demonstrates that Ti-based metallic glass matrix composites (MGMCs) with a normal composition of Ti43Zr32Ni6Ta5Be14 containing ductile dendrites dispersed in the glass matrix has been developed, and deformation mechanisms about the tensile property have been investigated by focusing on twinning-induced plasticity (TWIP) effect. The Ti-based MGMC has excellent tensile properties and pronounced tensile work-hardening capacity, with a yield strength of 1100 MPa and homogeneous elongation of 4%. The distinguished strain hardening is ascribed to the formation of deformation twinning within the dendrites. Twinning generated in the dendrites works as an obstacle for the rapid propagation of shear bands, and then, the localized necking is avoided, which ensures the ductility of such kinds of composites. Besides, a finite-element model (FEM) has been established to explain the TWIP effect which brings out a work-hardening behavior in the present MGMC instead of a localized strain concentration. According to the plasticity theory of traditional crystal materials and some new alloys, TWIP effect is mainly controlled by stacking fault energy (SFE), which has been analyzed intensively in the present MGMC.
Total tumour diameter is superior to unifocal diameter as a predictor of papillary thyroid microcarcinoma prognosis
Authors: Liu Chunping , Wang Shuntao , Zeng Wen , Guo Yawen , Liu Zeming , Huang Tao
Published: May 2017

The current American Joint Committee (AJCC) on Cancer TNM classification does not describe the treatment of multifocal papillary thyroid microcarcinomas (PTMCs) with a total tumour diameter (TTD) >1 cm. Herein, we investigated this PTMC subgroup in terms of extrathyroidal extension (ETE), local infiltration, central lymph node metastasis (LNM), and prognosis. Consecutive patients (n = 1102) were identified and the proportions of LNM, ETE, and local infiltration were similar between PTCs with a unifocal tumour diameter >1 cm and ≤2 cm and PTMCs with a multifocal TTD >1 cm and ≤2 cm. The proportions of LNM, ETE, and local infiltration were also similar between PTMCs with a unifocal diameter ≤1 cm vs. multifocal TTD ≤1 cm. However, when comparing PTMCs with a unifocal diameter ≤1 cm vs. multifocal TTD >1 cm, significant differences were observed. In the Kaplan-Meier analysis, significant differences were observed between PTMCs with a unifocal diameter ≤1 cm vs. multifocal TTD >1 cm and multifocal TTD ≤1 cm vs. multifocal TTD >1 cm. Accordingly, TTD may represent a more accurate criterion for tumour size of PTCs and should be considered in the revised AJCC staging system.
Determination of free amino acids and nucleosides and nucleobases in Annona squamosa L. fruitages from different regions in China by LC-QTRAP-MS/MS
Authors: Chen Ya-yun , Hu Peng , Zhang Yuan-jiao , Li Yue , Zhu Xiao-li , Chen Jian-wei , Cui Xiao-bing , Li Xiang , Chen Yong
Published: May 2017

The quantitative analysis of amino acids, nucleosides and nucleobases is important for the quality evaluation of the popular fruit Annona squamosa L. obtained from different regions in China.
Real-time assay of inorganic pyrophosphatase activity in the red region based on Li+-doped NaYF4:Yb,Er upconversion luminescent nanoparticles
Authors: Wang Lei , Ji Yuan , He Yuezhen , Wang Lun , Chen Hongqi
Published: May 2017

Based on a competition assay approach, a new highly sensitive method for real-time detection of PPase activity using Li+-doped NaYF4:Yb,Er upconversion red luminescent nanoparticles was developed.
Functionalization of gold nanoparticles with nanobodies through physical adsorption
Authors: Goossens Julie , Sein Hla , Lu Shaohong , Radwanska Magdalena , Muyldermans Serge , Sterckx Yann G.-J. , Magez Stefan
Published: May 2017

The physical adsorption behaviour of nanobodies to gold nanoparticles is described for the first time in an extensive manner including parameters such as pI, ionic strength and several protein engineering strategies. The generated nanobody-gold conjugates are functional.
Fast tuning of covalent triazine frameworks for photocatalytic hydrogen evolution
Authors: Kuecken Sophie , Acharjya Amitava , Zhi Linjie , Schwarze Michael , Schomäcker Reinhard , Thomas Arne
Published: May 2017

A fast and facile route for the optimization of covalent triazine frameworks (CTFs) for photocatalytic hydrogen production is presented.
Hierarchical self-supported ZnAlEu LDH nanotubes hosting luminescent CdTe quantum dots
Authors: Morais Alysson F. , Silva Ivan G. N. , Sree Sreeprasanth P. , de Melo Fernando M. , Brabants Gert , Brito Hermi F. , Martens Johan A. , Toma Henrique E. , Kirschhock Christine E. A. , Breynaert Eric , Mustafa Danilo
Published: May 2017

Self-assembled, cylindrical LDH nanotubes (∅ 20nm) host large species such as nanodots or bulky substrates in their central cavity, leaving the interlayer space available for anionic sensitizer molecules.
Recent advances in the chemical transformations of functionalized alkylidenecyclopropanes (FACPs)
Authors: Yu Liu-Zhu , Chen Kai , Zhu Zi-Zhong , Shi Min
Published: May 2017

Classification of functionalized alkylidenecyclopropanes (FACPs) and recent chemical transformations for the synthesis of novel and useful polycyclic and heterocyclic compounds.
Cp*CoIII-catalyzed directed C–H trifluoromethylthiolation of 2-phenylpyridines and 6-arylpurines
Authors: Yoshida Misaki , Kawai Kentaro , Tanaka Ryo , Yoshino Tatsuhiko , Matsunaga Shigeki
Published: May 2017

Cp*CoIII-catalyzed directed C–H trifluoromethylthiolation using N-trifluoromethylthiodibenzenesulfonimide as an electrophilic SCF3 source is described.
Collective dehydration of ions in nano-pores
Authors: Heuberger M. P. , Zachariah Z. , Spencer N. D. , Espinosa-Marzal R. M.
Published: May 2017

Hydrated ions can enter nanometre pores that are smaller than the hydrated ion diameter – the associated dehydration mechanism is still poorly understood.
Ionic hydration-induced evolution of decane–water interfacial tension
Authors: Wen Boyao , Sun Chengzhen , Bai Bofeng , Gatapova Elizaveta Ya. , Kabov Oleg A.
Published: May 2017

We show that ionic hydration is responsible for the non-monotonic variation of the interfacial tension with increasing ionic concentration.
Multi-electron redox phenazine for ready-to-charge organic batteries
Authors: Lee Minah , Hong Jihyun , Lee Byungju , Ku Kyojin , Lee Sechan , Park Chan Beum , Kang Kisuk
Published: May 2017

A new class of multi-electron redox phenazine was proposed to build ready-to-charge sustainable organic batteries.
Delivery and release of microRNA-34a into MCF-7 breast cancer cells using spherical nucleic acid nanocarriers
Authors: Li Hui , Shen Wei , Hon-Wah Lam Michael , Liang Haojun
Published: May 2017

A highly effective SNA-based miR-34a delivery system successfully induced apoptosis in the MCF-7 breast cancer cells.
Hypochlorite-promoted inhibition of photo-induced electron transfer in phenothiazine–borondipyrromethene donor–acceptor dyad: a cost-effective and metal-free “turn-on” fluorescent chemosensor for hypochlorite
Authors: Soni Disha , Gangada Suneel , Duvva Naresh , Roy Tapta Kanchan , Nimesh Surendra , Arya Geeta , Giribabu Lingamallu , Chitta Raghu
Published: May 2017

APTZ-BODIPY based fluorescent chemosensor was designed and used for hypochlorite detection.
High performance, self-powered ultraviolet photodetector based on a ZnO nanoarrays/GaN structure with a CdS insert layer
Authors: Zhou Hai , Gui Pengbin , Yang Lu , Ye Cong , Xue Mengni , Mei Jun , Song Zehao , Wang Hao
Published: May 2017

A self-powered photodetector based on a ZnO nanoarrays/CdS/GaN structure with a responsivity as high as 176 mA W−1 at 300 nm.
Correction: Diiridium(iii) complexes: luminescent probes and sensors for G-quadruplex DNA and endoplasmic reticulum imaging
Authors: Anjong Tikum Florence , Kim Gyoungmi , Jang Ha Yoon , Yoon Juyoung , Kim Jinheung
Published: May 2017

Correction for ‘Diiridium(iii) complexes: luminescent probes and sensors for G-quadruplex DNA and endoplasmic reticulum imaging’ by Tikum Florence Anjong et al., New J. Chem., 2017, 41, 377–386.
Fabrication of metal/semiconductor nanocomposites by selective laser nano-welding
Authors: Yu Huiwu , Li Xiangyou , Hao Zhongqi , Xiong Wei , Guo Lianbo , Lu Yongfeng , Yi Rongxing , Li Jiaming , Yang Xinyan , Zeng Xiaoyan
Published: May 2017

Welding metal and semiconductor nanoparticles for preparing metal/semiconductor nanocomposites by selective laser heating with the help of ultrasonic waves.
Low-cost p-type dye-sensitized solar cells based on Dawson-type transition metal-substituted polyoxometalate inorganic co-sensitizers
Authors: Guo Xiang-Wei , Li Xiao-Hong , Liu Zhu-Jun , Chen Wei-Lin , Zheng Xiao-Tao , Wang En-Bo , Su Zhong-Min
Published: May 2017

α2-K8P2W17O61(Co2+·OH2)·16H2O(P2W17Co) and α2-K7P2W17O61(Mn3+·OH2)·12H2O(P2W17Mn) are employed to construct a new inorganic co-sensitizer.
The importance of annealing and stages coverage on the epitaxial growth of complex oxides on silicon by pulsed laser deposition
Authors: Diaz-Fernandez Daniel , Spreitzer Matjaž , Parkelj Tjaša , Kovač Janez , Suvorov Danilo
Published: May 2017

Basic steps followed for the SrTiO3 deposition. The coverages before oxidation and crystallization stages have been optimized in this work.
Novel Fe3O4@GNF@SiO2 nanocapsules fabricated through the combination of an in situ formation method and SiO2 coating process for magnetic resonance imaging
Authors: Lu Changyong , Sandoval Stefania , Puig Teresa , Obradors Xavier , Tobias Gerard , Ros Josep , Ricart Susagna
Published: May 2017

An in situ approach for the synthesis of Fe3O4 nanoparticles combined with a SiO2 coating process was employed to prepare Fe3O4@GNF@SiO2 nanocapsules.
Liquid electrolyte mediated flexible pouch-type hybrid supercapacitor based on binderless core–shell nanostructures assembled with honeycomb-like porous carbon
Authors: Veerasubramani Ganesh Kumar , Chandrasekhar Arunkumar , M. S. P. Sudhakaran , Mok Young Sun , Kim Sang Jae
Published: May 2017

The current challenges in the usage of liquid electrolyte in energy storage devices are closely correlated with the flexibility and portability of the devices.
Realizing a new class of hybrid organic–inorganic multifunctional perovskite
Authors: Williams S. T. , Rajagopal A. , Jo S. B. , Chueh C.-C. , Tang T. F. L. , Kraeger A. , Jen A. K.-Y.
Published: May 2017

Identification of growth route as strongest determinant of morphology enables analysis of compositional impacts of transition metal inclusion on perovskite.
ZnSb2O6: an advanced anode material for Li-ion batteries
Authors: Li Junming , Du Ke , Lai Yanqing , Chen Yuxiang , Zhang Zhian
Published: May 2017

A combination of zinc (Zn) and antimony (Sb) is considered to be one of the most promising alternatives to commercial carbon materials in Li-ion batteries (LIBs).
Bioinspired electrocatalysts for oxygen reduction using recombinant silk films
Authors: Rapson Trevor D. , Kusuoka Ryo , Butcher Joseph , Musameh Mustafa , Dunn Christopher J. , Church Jeffrey S. , Warden Andrew C. , Blanford Christopher F. , Nakamura Nobuhumi , Sutherland Tara D.
Published: May 2017

Hemin-loaded honeybee silk reduces oxygen with low peroxide formation.
Recent progress in hybrid perovskite solar cells based on n-type materials
Authors: Wu Wu-Qiang , Chen Dehong , Caruso Rachel A. , Cheng Yi-Bing
Published: May 2017

This review article highlights recent progress on the n-type material-based electron transporting layers for high-performance perovskite solar cells.
NIR-driven water splitting by layered bismuth oxyhalide sheets for effective photodynamic therapy
Authors: Yang Dan , Yang Guixin , Li Jiaqi , Gai Shili , He Fei , Yang Piaoping
Published: May 2017

Two major issues of finding the appropriate photosensitizer and raising the penetration depth of irradiation light exist in further developing of photodynamic therapy (PDT).
Synthesis, photophysical properties and in vitro evaluation of a chlorambucil conjugated ruthenium(ii) complex for combined chemo-photodynamic therapy against HeLa cells
Authors: Zhang Jing-Xiang , Pan Mei , Su Cheng-Yong
Published: May 2017

We designed a new heteroleptic Ru(ii) complex CHL-RuL as an imaging-guided chemotherapy/PDT agent, which shows a moderate antiproliferative effect in dark and strong photodynamic inhibitory effect against HeLa cells.
A glutathione-activatable photodynamic and fluorescent imaging monochromatic photosensitizer
Authors: Li Zhensheng , Liu Yang , Chen Li , Hu Xiuli , Xie Zhigang
Published: May 2017

A GSH-activated fluorescent and ROS photosensitizer was synthesized from monochromatic BODIPY for selective bioimaging and photodynamic therapy.
Tunable PEGylation of branch-type PEI/DNA polyplexes with a compromise of low cytotoxicity and high transgene expression: in vitro and in vivo gene delivery
Authors: Venault A. , Huang Y.-C. , Lo J. W. , Chou C.-J. , Chinnathambi A. , Higuchi A. , Chen W.-S. , Chen W.-Y. , Chang Y.
Published: May 2017

Although PEGylated polyplexes for gene delivery are widespread, there is a need for an in-depth investigation of the role of the PEGylation degree on the delivery efficiency of the systems.
Metal–insulator transition tuned by magnetic field in Bi1.7V8O16hollandite
Authors: Larson Amber M. , Wilfong Brandon , Moetakef Pouya , Brown Craig M. , Zavalij Peter , Rodriguez Efrain E.
Published: May 2017

Bi1.7V8O16undergoes a metal-to-insulator transition driven by charge and orbital ordering that can be tuned by an applied magnetic field.
Investigating the Cusp between the nano- and macro-sciences in supermolecular liquid-crystalline twist-bend nematogens
Authors: Simpson Frank P. , Mandle Richard J. , Moore John N. , Goodby John W.
Published: May 2017

In this article we report the first known linear liquid-crystalline hexamer and in doing so demonstrate that higher oligomers and main chain polymers, with chemical structures based upon dimers and bimesogens, can exhibit the topical twist-bend ‘nematic’ mesophase.
The preparation, and structural and multiferroic properties of B-site ordered double-perovskite Bi2FeMnO6
Authors: Sun Lin , Fang Yue-Wen , He Jun , Zhang Yuanyuan , Qi Ruijuan , He Qing , Huang Rong , Xiang Pinghua , Tang Xiao-Dong , Yang Pingxiong , Chu Junhao , Chu Ying-Hao , Duan Chun-Gang
Published: May 2017

B-site ordered Bi2FeMnO6 films have been fabricated and found with good ferroelectricity and spin-glass state.
Remarkable Influence of Cobalt Catalysis on Epoxide Ring-Opening with Sulfoxonium Ylides
Authors: Jamieson Megan , Brant Nicola , Brimble Margaret , Furkert Daniel
Published: May 2017

Cobalt demonstrates a remarkable ability to catalytically divert the course of epoxide to oxetane ring expansion via reaction with a sulfoxonium ylide. An expanded survey of transition-metal catalysts has confirmed that cobalt salts uniquely instead deliver homoallylic alcohol products from epoxides, with retention of the original epoxide stereochemistry. The reaction is an unusual example of cobalt-catalysed epoxide­ ring-opening by a carbon nucleophile. A tandem Corey–Chaykovsky/epoxide olefination sequence giving homoallylic alcohols from aldehydes is further demonstrated along with preliminary mechanistic analysis. This communication summarises current understanding and ongoing studies into this intriguing new cobalt-mediated reactivity.
Catalyst-Free Intramolecular 1,3-Dipolar Cycloaddition of Ethyl (2-Formylphenyl) Vinylphosphonates: A Highly Stereoselective Access to Phosphadihydrocoumarin-Fused Pyrrolizidines/Pyrrolidines
Authors: Wu Mingshu , Jiang Jie , Zhu Zhongxiang , Kong Dulin
Published: May 2017

Pyrrolizidine and coumarins both have biological activities, and their molecular skeletons are commonly found in several biomolecules and drug molecules. We have developed a catalyst-free, intramolecular 1,3-dipolar cycloaddition to synthesize phosphadihydrocoumarin-fused pyrrolizidine/pyrrolidine scaffolds with high stereoselectivity.
A Synthesis of Novel Dioxapropellanes from the Knoevenagel Adducts of Acenaphthoquinone and 3-Oxo-3-arylpropionitriles in Aqueous Methanol
Authors: Yavari Issa , Khajeh-Khezri Aliyeh , Bahemmat Samira , Halvagar Mohammad
Published: May 2017

A highly chemoselective and regioselective method for the synthesis of dioxopropellanes developed by reaction of the Knoevenagel adducts of acenaphthoquinone (and ninhydrin) and malononitrile, with 3-oxo-3-arylpropionitriles in 70% aqueous MeOH at room temperature, is reported.
Synthetic Access to 3,5,7-Trisubstituted Indoles Enabled by Iridium­-Catalyzed C–H Borylation
Authors: Sperry Jonathan , Eastabrook Andrew
Published: May 2017

A one-pot conversion of 3-substituted indoles into their 5,7-diboryl derivatives is reported. The simultaneous functionalization of the C5-H and C7-H sites is achieved using an iridium-catalyzed triborylation-protodeborylation sequence. The 5,7-diborylindoles are useful intermediates that can be readily derivatized into a variety of indoles possessing the rare 3,5,7-trisubstitution pattern, including the natural product (+)-plakohypaphorine C.
Thieme Chemistry Journals Awardees – Where Are They Now? Chiral Sulfinamide Ligands and Pd-Catalyzed Asymmetric Allylic Alkylations of Ethyl 2-Fluoroacetoacetate
Authors: Zhao Mingzhu , Tian Yawei , Zhao Xiaoming
Published: May 2017

New chiral sulfinamide ligands made from salicylic acids and chiral tert-butanesulfinamide was utilized in Pd-catalyzed asymmetric allylic substitutions of ethyl 2-fluoroacetoacetate, which afforded the fluorinated allyl products with up to 98% yield, 94% ee, and 2.2:1 dr. Both sulfoxide and hydroxyl group on the sulfanilamide ligands are ­crucial for enantiocontrol in the Pd-catalyzed allylic alkylations of ethyl 2-fluoroacetoacetate.
Minimally Invasive Biopsies of Deep-Seated Brain Lesions Using Tubular Retractors Under Exoscopic Visualization
Authors: Jackson Christina , Gallia Gary , Chaichana Kaisorn
Published: May 2017

Background and Study Aims/Objective Brain lesions in deep-seated locations can present a surgical challenge. Tissue remains the gold standard for diagnosing these lesions to guide potential adjuvant therapy. These lesions have been traditionally approached by stereotactic needle biopsy, open biopsies through craniotomies, and excisional biopsies. We provide a safe alternative method using tubular retractors under exoscopic visualization for biopsies of deep-seated brain lesions.

Material and Methods All patients who underwent a biopsy with the use of a tubular retractor under exoscopic visualization of a deep-seated lesion from January 2013 to September 2016 were identified prospectively and followed. This was done for patients with lesions where extensive resection was not deemed possible because of eloquent location and/or lack of impact on the natural history of the disease.

Results A total of 11 patients, with an average age (plus or minus standard deviation) of 48.7 ± 18.3 years, underwent biopsies with tubular retractors and exoscopic visualization. The locations included thalamus (n = 3), optic pathway (n = 2), deep cerebellar nuclei (n = 1), centrum semiovale/corpus callosum (n = 4), and multifocal (n = 2). Diagnosis was obtained in all patients: glioblastoma multiforme (n = 3), anaplastic astrocytoma (n = 3), demyelinating disease (n = 2), renal cell cancer (n = 1), and lymphoma (n = 2). In all cases with tumors, the molecular analyses were conducted successfully. On postoperative computed tomography, no patients had notable hematomas and no patients had new deficits.

Conclusion Diagnosing brain lesions is critical for guiding potential adjuvant therapies. When surgical resection is not possible or required, we report the efficacy of a tubular retractor system with exoscopic visualization for the safe access of deep-seated lesions to provide adequate tissue for diagnosis and molecular evaluation.
Acute Hypotension after High-Intensity Interval Exercise in Metabolic Syndrome Patients
Authors: Morales-Palomo Felix , Ramirez-Jimenez Miguel , Ortega Juan , Pallarés Jesús , Mora-Rodriguez Ricardo
Published: May 2017

The purpose of this study was to compare the magnitude of post-exercise hypotension (PEH) after a bout of cycling exercise using high-intensity interval training (HIIT) in comparison to a bout of traditional moderate-intensity continuous exercise (CE). After supine rest 14 obese (31±1 kg·m−2) middle-age (57±2 y) metabolic syndrome patients (50% hypertensive) underwent a bout of HIIT or a bout of CE in a random order and then returned to supine recovery for another 45 min. Exercise trials were isocaloric and compared to a no-exercise trial (CONT) of supine rest for a total of 160 min. Before and after exercise we assessed blood pressure (BP), heart rate (HR), cardiac output (Q), systemic vascular resistance (SVR), intestinal temperature (TINT), forearm skin blood flow (SKBF) and percent dehydration. HIIT produced a larger post-exercise reduction in systolic blood pressure than CE in the hypertensive group (−20±6 vs. −5±3 mmHg) and in the normotensive group (−8±3 vs. −3±2 mmHg) while HIIT reduced SVR below CE (P<0.05). Percent dehydration was larger after HIIT, and post-exercise TINT and SKBF increased only after HIIT (all P<0.05). Our findings suggest that HIIT is a superior exercise method to CE to acutely reduce blood pressure in MSyn subjects.
Accuracy of Cycling Power Meters against a Mathematical Model of Treadmill Cycling
Authors: Maier Thomas , Schmid Lucas , Müller Beat , Steiner Thomas , Wehrlin Jon
Published: May 2017

The aim of this study was to compare the accuracy among a high number of current mobile cycling power meters used by elite and recreational cyclists against a first principle-based mathematical model of treadmill cycling. 54 power meters from 9 manufacturers used by 32 cyclists were calibrated. While the cyclist coasted downhill on a motorised treadmill, a back-pulling system was adjusted to counter the downhill force. The system was then loaded 3 times with 4 different masses while the cyclist pedalled to keep his position. The mean deviation (trueness) to the model and coefficient of variation (precision) were analysed. The mean deviations of the power meters were –0.9±3.2% (mean±SD) with 6 power meters deviating by more than±5%. The coefficients of variation of the power meters were 1.2±0.9% (mean±SD), with Stages varying more than SRM (p<0.001) and PowerTap (p<0.001). In conclusion, current power meters used by elite and recreational cyclists vary considerably in their trueness; precision is generally high but differs between manufacturers. Calibrating and adjusting the trueness of every power meter against a first principle-based reference is advised for accurate measurements.
Accelerating equilibrium isotope effect calculations. I. Stochastic thermodynamic integration with respect to mass
Authors: Karandashev Konstantin , Vaníček Jiří
Published: May 2017

Accurate path integral Monte Carlo or molecular dynamics calculations of isotope effects have until recently been expensive because of the necessity to reduce three types of errors present in such calculations: statistical errors due to sampling, path integral discretization errors, and thermodynamic integration errors. While the statistical errors can be reduced with virial estimators and path integral discretization errors with high-order factorization of the Boltzmann operator, here we propose a method for accelerating isotope effect calculations by eliminating the integration error. We show that the integration error can be removed entirely by changing particle masses stochastically during the calculation and by using a piecewise linear umbrella biasing potential. Moreover, we demonstrate numerically that this approach does not increase the statistical error. The resulting acceleration of isotope effect calculations is demonstrated on a model harmonic system and on deuterated species of methane.
Verification of Gyrokinetic codes: Theoretical background and applications
Authors: Tronko Natalia , Bottino Alberto , Görler Tobias , Sonnendrücker Eric , Told Daniel , Villard Laurent
Published: May 2017

In fusion plasmas, the strong magnetic field allows the fast gyro-motion to be systematically removed from the description of the dynamics, resulting in a considerable model simplification and gain of computational time. Nowadays, the gyrokinetic (GK) codes play a major role in the understanding of the development and the saturation of turbulence and in the prediction of the subsequent transport. Naturally, these codes require thorough verification and validation. Here, we present a new and generic theoretical framework and specific numerical applications to test the faithfulness of the implemented models to theory and to verify the domain of applicability of existing GK codes. For a sound verification process, the underlying theoretical GK model and the numerical scheme must be considered at the same time, which has rarely been done and therefore makes this approach pioneering. At the analytical level, the main novelty consists in using advanced mathematical tools such as variational formulation of dynamics for systematization of basic GK code's equations to access the limits of their applicability. The verification of the numerical scheme is proposed via the benchmark effort. In this work, specific examples of code verification are presented for two GK codes: the multi-species electromagnetic ORB5 (PIC) and the radially global version of GENE (Eulerian). The proposed methodology can be applied to any existing GK code. We establish a hierarchy of reduced GK Vlasov-Maxwell equations implemented in the ORB5 and GENE codes using the Lagrangian variational formulation. At the computational level, detailed verifications of global electromagnetic test cases developed from the CYCLONE Base Case are considered, including a parametric β-scan covering the transition from ITG to KBM and the spectral properties at the nominal β value.
Aluminum multicharged ion generation from femtosecond laser plasma
Authors: Shaim Md. Haider A. , Wilson Frederick Guy , Elsayed-Ali Hani E.
Published: May 2017

Aluminum multicharged ion generation from femtosecond laser ablation is studied. A Ti:sapphire laser (wavelength 800 nm, pulse width ∼100 fs, and maximum laser fluence of 7.6 J/cm2) is used. Ion yield and energy distribution of each charge state are measured. A linear relationship between the ion charge state and the equivalent acceleration energy of the individual ion species is observed and is attributed to the presence of an electric field within the plasma-vacuum boundary that accelerates the ions. The ion energy distribution follows a shifted Coulomb-Boltzmann distribution. For Al1+ and Al2+, the ion energy distributions have two components; the faster one can be attributed to multiphoton laser ionization, while the slower one is possibly due to collisional processes. Ion extraction from the plasma is increased with an applied external electric field, which is interpreted to be due to the retrograde motion of the plasma edge as a result of the external electric field. Multicharged ion generation by femtosecond laser ablation is compared to previously reported ion generation with nanosecond laser ablation and is shown to require significantly lower laser fluence and generates higher charge states and more energetic ions.
Application of coupled mode theory on radiative heat transfer between layered Lorentz materials
Authors: Lin Chungwei , Wang Bingnan , Teo Koon Hoo
Published: May 2017

The coupled mode theory (CMT) provides a simple and clear framework to analyze the radiation energy exchange between reservoirs. We apply CMT to analyze the radiative heat transfer between layered Lorentz materials whose dielectric functions can be approximated by the Lorentz oscillator model. By comparing the transmissivity computed by the exact solution to that computed by CMT, we find that CMT generally gives a good approximation for this class of materials. The biggest advantage of CMT analysis, in our opinion, is that only the (complex) resonant energies are needed to obtain the radiation energy transfer; the knowledge of the spatial profile of resonances is not required. Several issues, including how to choose the resonant modes, what these modes represent, and the limitation of this method, are discussed. Finally, we also apply the CMT method to the electronic systems, demonstrating the generality of this formalism.
Broadband mid-infrared superlattice light-emitting diodes
Authors: Ricker R. J. , Provence S. R. , Norton D. T. , Boggess T. F. , Prineas J. P.
Published: May 2017

InAs/GaSb type-II superlattice light-emitting diodes were fabricated to form a device that provides emission over the entire 3–5 μm mid-infrared transmission window. Variable bandgap emission regions were coupled together using tunnel junctions to emit at peak wavelengths of 3.3 μm, 3.5 μm, 3.7 μm, 3.9 μm, 4.1 μm, 4.4 μm, 4.7 μm, and 5.0 μm. Cascading the structure recycles the electrons in each emission region to emit several wavelengths simultaneously. At high current densities, the light-emitting diode spectra broadened into a continuous, broadband spectrum that covered the entire mid-infrared band. When cooled to 77 K, radiances of over 1 W/cm2 sr were achieved, demonstrating apparent temperatures above 1000 K over the 3–5 μm band. InAs/GaSb type-II superlattices are capable of emitting from 3 μm to 30 μm, and the device design can be expanded to include longer emission wavelengths.