bluuebunny/crossref_metadata_2025 huggingface dataset:
Effects of energetic ion irradiation on WSe2/SiC heterostructures
Authors: Shi Tan , Walker Roger C. , Jovanovic Igor , Robinson Joshua A.
Published: June 2017

The remarkable electronic properties of layered semiconducting transition metal dichalcogenides (TMDs) make them promising candidates for next-generation ultrathin, low-power, high-speed electronics. It has been suggested that electronics based upon ultra-thin TMDs may be appropriate for use in high radiation environments such as space. Here, we present the effects of irradiation by protons, iron, and silver ions at MeV-level energies on a WSe2/6H-SiC vertical heterostructure studied using XPS and UV-Vis-NIR spectroscopy. It was found that with 2 MeV protons, a fluence of 1016 protons/cm2 was necessary to induce a significant charge transfer from SiC to WSe2, where a reduction of valence band offset was observed. Simultaneously, a new absorption edge appeared at 1.1 eV below the conduction band of SiC. The irradiation with heavy ions at 1016 ions/cm2 converts WSe2 into a mixture of WOx and Se-deficient WSe2. The valence band is also heavily altered due to oxidation and amorphization. However, these doses are in excess of the doses needed to damage TMD-based electronics due to defects generated in common dielectric and substrate materials. As such, the radiation stability of WSe2-based electronics is not expected to be limited by the radiation hardness of WSe2, but rather by the dielectric and substrate.
A microRNA signature of response to erlotinib is descriptive of TGFβ behaviour in NSCLC
Authors: Krentz Gober Madeline , Collard James P. , Thompson Katherine , Black Esther P.
Published: June 2017

Our previous work identified a 13-gene miRNA signature predictive of response to the epidermal growth factor receptor (EGFR) inhibitor, erlotinib, in Non-Small Cell Lung Cancer cell lines. Bioinformatic analysis of the signature showed a functional convergence on TGFβ canonical signalling. We hypothesized that TGFβ signalling controls expression of the miRNA genes comprising an erlotinib response signature in NSCLC. Western analysis revealed that TGFβ signalling via Smad2/3/4 occurred differently between erlotinib-resistant A549 and erlotinib- sensitive PC9 cells. We showed that TGFβ induced an interaction between Smad4 and putative Smad Binding Elements in PC9. However, qRT-PCR analysis showed that endogenous miR-140/141/200c expression changes resulted from time in treatments, not the treatments themselves. Moreover, flow cytometry indicated that cells exited the cell cycle in the same manner. Taken together these data indicated that the miRNA comprising the signature are likely regulated by the cell cycle rather than by TGFβ. Importantly, this work revealed that TGFβ did not induce EMT in PC9 cells, but rather TGFβ-inhibition induced an EMT-intermediate. These data also show that growth/proliferation signals by constitutively-activated EGFR may rely on TGFβ and a possible relationship between TGFβ and EGFR signalling may prevent EMT progression in this context rather than promote it.
Investigation of the removal mechanism of antibiotic ceftazidime by green algae and subsequent microbic impact assessment
Authors: Yu Ying , Zhou Yangyang , Wang Zhiliang , Torres Oscar Lopez , Guo Ruixin , Chen Jianqiu
Published: June 2017

The present study provides an integrated view of algal removal of the antibiotic ceftazidime and its basic parent structure 7-aminocephalosporanic acid (7-ACA), including contribution analysis, bacteriostatic and aquatic toxic assessment and metabolite verification. 92.70% and 96.07% of the two target compounds was removed after the algal treatment, respectively. The algal removal can be separated into three steps: a rapid adsorption, a slow cell wall-transmission and the final biodegradation. Additionally, while ceftazidime demonstrated an excellent inhibitory effect on Escherichia coli, there was no bacteriostasis introduced after the algal treatment, which could avoid favoring the harmful selective pressure. On the other hand, no significant aquatic impact of the two target compounds on rotifers was observed and it was not enhanced after the algal treatment. To better reveal the mechanism involved, metabolite analyses were performed. Δ-3 ceftazidime and trans-ceftazidime were regarded as the metabolites of ceftazidime and the metabolite of 7-ACA was regarded as a compound which shared the similar structure with 4-chlorocinnamic acid. Our study indicated that the green algae performed a satisfactory growth capacity and played a dominant role for the biodegradation of the target antibiotics, which achieved high removal efficiency and low environmental impact.
Characterization of a novel two-component Na+(Li+, K+)/H+ antiporter from Halomonas zhaodongensis
Authors: Meng Lin , Meng Fankui , Zhang Rui , Zhang Zhenglai , Dong Ping , Sun Kaifu , Chen Jin , Zhang Wei , Yan Mingxue , Li Jincheng , Abdel-motaal Heba , Jiang Juquan
Published: June 2017

In this study, genomic DNA was screened for novel Na+/H+ antiporter genes from Halomonas zhaodongensis by selection in Escherichia coli KNabc lacking three major Na+/H+ antiporters. Co-expression of two genes designated umpAB, encoding paired homologous unknown membrane proteins belonging to DUF1538 (domain of unknown function with No. 1538) family, were found to confer E. coli KNabc the tolerance to 0.4 M NaCl and 30 mM LiCl, and an alkaline pH resistance at 8.0. Western blot and co-immunoprecipitation establish that UmpAB localize as a hetero-dimer in the cytoplasmic membranes. Functional analysis reveals that UmpAB exhibit pH-dependent Na+(Li+, K+)/H+ antiport activity at a wide pH range of 6.5 to 9.5 with an optimal pH at 9.0. Neither UmpA nor UmpB showed homology with known single-gene or multi-gene Na+/H+ antiporters, or such proteins as ChaA, MdfA, TetA(L), Nap and PsmrAB with Na+/H+ antiport activity. Phylogenetic analysis confirms that UmpAB should belong to DUF1538 family, which are significantly distant with the above-mentioned proteins with Na+/H+ antiport activity. Taken together, we propose that UmpAB represent a novel two-component Na+(Li+, K+)/H+ antiporter. To the best of our knowledge, this is the first report on the functional analysis of unknown membrane proteins belonging to DUF1538 family.
Metabolic recovery of lipodystrophy, liver steatosis, and pancreatic β cell proliferation after the withdrawal of OSI-906
Authors: Tajima Kazuki , Shirakawa Jun , Togashi Yu , Yamazaki Shunsuke , Okuyama Tomoko , Kyohara Mayu , Konishi Hiromi , Terauchi Yasuo
Published: June 2017

Growth factor signaling via insulin receptor (IR) and IGF-1 receptor (IGF1R) plays several important roles in the pathogenesis of metabolic syndrome and diabetes. OSI-906 (linsitinib), an anti-tumor drug, is an orally bioavailable dual inhibitor of IR and IGF1R. To investigate the recovery from metabolic changes induced by the acute inhibition of IR and IGF1R in adult mice, mice were treated with OSI-906 or a vehicle for 7 days and the results were analyzed on the last day of injection (Day 7) or after 7 or 21 days of withdrawal (Day 14 or Day 28). On day 7, the visceral white fat mass was significantly reduced in mice treated with OSI-906 accompanied by a reduced expression of leptin and an increased expression of the lipolysis-related genes Lpl and Atgl. Interestingly, the lipoatrophy and the observed changes in gene expression were completely reversed on day 14. Similarly, liver steatosis and β cell proliferation were transiently observed on day 7 but had disappeared by day 14. Taken together, these results suggest that this model for the acute inhibition of systemic IR/IGF1R signaling may be useful for investigating the recovery from metabolic disorders induced by impaired growth factor signaling.
Skeletal Dysplasia Mutations Effect on Human Filamins’ Structure and Mechanosensing
Authors: Seppälä Jonne , Bernardi Rafael C. , Haataja Tatu J. K. , Hellman Maarit , Pentikäinen Olli T. , Schulten Klaus , Permi Perttu , Ylänne Jari , Pentikäinen Ulla
Published: June 2017

Cells’ ability to sense mechanical cues in their environment is crucial for fundamental cellular processes, leading defects in mechanosensing to be linked to many diseases. The actin cross-linking protein Filamin has an important role in the conversion of mechanical forces into biochemical signals. Here, we reveal how mutations in Filamin genes known to cause Larsen syndrome and Frontometaphyseal dysplasia can affect the structure and therefore function of Filamin domains 16 and 17. Employing X-ray crystallography, the structure of these domains was first solved for the human Filamin B. The interaction seen between domains 16 and 17 is broken by shear force as revealed by steered molecular dynamics simulations. The effects of skeletal dysplasia associated mutations of the structure and mechanosensing properties of Filamin were studied by combining various experimental and theoretical techniques. The results showed that Larsen syndrome associated mutations destabilize or even unfold domain 17. Interestingly, those Filamin functions that are mediated via domain 17 interactions with other proteins are not necessarily affected as strongly interacting peptide binding to mutated domain 17 induces at least partial domain folding. Mutation associated to Frontometaphyseal dysplasia, in turn, transforms 16–17 fragment from compact to an elongated form destroying the force-regulated domain pair.
Computer-aided implant design for the restoration of cranial defects
Authors: Chen Xiaojun , Xu Lu , Li Xing , Egger Jan
Published: June 2017

Patient-specific cranial implants are important and necessary in the surgery of cranial defect restoration. However, traditional methods of manual design of cranial implants are complicated and time-consuming. Our purpose is to develop a novel software named EasyCrania to design the cranial implants conveniently and efficiently. The process can be divided into five steps, which are mirroring model, clipping surface, surface fitting, the generation of the initial implant and the generation of the final implant. The main concept of our method is to use the geometry information of the mirrored model as the base to generate the final implant. The comparative studies demonstrated that the EasyCrania can improve the efficiency of cranial implant design significantly. And, the intra- and inter-rater reliability of the software were stable, which were 87.07 ± 1.6% and 87.73 ± 1.4% respectively.
Effects of naftopidil on double-J stent-related discomfort: a multicenter, randomized, double-blinded, placebo-controlled study
Authors: Oh Jong Jin , Lee Sangchul , Cho Sung Yong , Lee Sang Wook , Cho Min Chul , Na Woong , Park Ju Hyeon , Lee Seung Bae , Ahh Soyeon , Jeong Chang Wook
Published: June 2017

To evaluate the effect of naftopidil 75 mg once daily for ureteral double-J (DJ) stent-related discomfort after a ureteroscopic procedure using a multicenter, randomized, double-blinded, placebo-controlled study. 100 patients with indwelled retrograde DJ ureteral stents after ureteroscopic stone removal or retrograde intrarenal surgery (RIRS) were randomized 1:1 to receive either placebo or naftopidil during the stenting period. At the time of stent removal, the Ureteral Stent Symptom Questionnaire (USSQ), the International Prostate Symptom Score and the total amount of used analgesics were reported. Of the 92 patients who completed the study, 49 patients were enrolled in the placebo group, and 43 patients in the naftopidil group. USSQ urinary symptom scores (30.90 vs. 29.23, p = 0.299) and USSQ body pain scores (22.28 vs. 19.58, respectively, p = 0.286) were lower in the naftopidil group than in the placebo group, but the difference was not significant. Multivariate analysis showed that the use of a ureteral access sheath during RIRS was the only significant predictor of postoperative DJ-related pain (OR = 2.736, p = 0.031). The use of naftopidil once daily did not significantly reduce DJ ureteral stent-related discomfort. Larger-scaled prospective studies should be conducted to evaluate the effects of naftopidil on DJ stent-related symptoms and surgeries.
Electroporation as a vaccine delivery system and a natural adjuvant to intradermal administration of plasmid DNA in macaques
Authors: Todorova Biliana , Adam Lucille , Culina Slobodan , Boisgard Raphaël , Martinon Frédéric , Cosma Antonio , Ustav Mart , Kortulewski Thierry , Le Grand Roger , Chapon Catherine
Published: June 2017

In vivoelectroporation (EP) is used to enhance the uptake of nucleic acids and its association with DNA vaccination greatly stimulates immune responses to vaccine antigens delivered through the skin. However, the effect of EP on cutaneous cell behavior, the dynamics of immune cell recruitment and local inflammatory factors, have not been fully described. Here, we show that intradermal DNA vaccination combined with EP extends antigen expression to the epidermis and the subcutaneous skin muscle in non-human primates.In vivofibered confocal microscopy and dynamicex vivoimaging revealed that EP promotes the mobility of Langerhans cells (LC) and their interactions with transfected cells prior to their migration from the epidermis. At the peak of vaccine expression, we detected antigen in damaged keratinocyte areas in the epidermis and we characterized recruited immune cells in the skin, the hypodermis and the subcutaneous muscle. EP alone was sufficient to induce the production of pro-inflammatory cytokines in the skin and significantly increased local concentrations of Transforming Growth Factor (TGF)-alpha and IL-12. Our results show the kinetics of inflammatory processes in response to EP of the skin, and reveal its potential as a vaccine adjuvant.
Magnetic resonance imaging of fetal persistent left superior vena cava
Authors: Dong Su-Zhen , Zhu Ming
Published: June 2017

This study aimed to evaluate the diagnostic accuracy of fetal magnetic resonance imaging (MRI) for persistent left superior vena cava (LSVC). Prenatal echocardiography (echo) and/or ultrasound (US) and MRI data for 49 fetuses with persistent LSVC, confirmed via postnatal diagnoses between January 2010 and October 2015, were retrospectively reviewed. All prenatal MRI was performed at 1.5 T. Imaging sequences included steady-state free-precession (SSFP), single-shot turbo spin echo (SSTSE), and other sequences. All 49 cases of fetal persistent LSVC were correctly diagnosed via MRI, but only 34 cases (69.4%) were correctly diagnosed via an initial US and/or echo before MRI. Of the 15 cases that were not correctly diagnosed via US and/or echo, 8 had congenital heart diseases (CHDs) and 7 were without CHDs; however, they were associated with extracardiac abnormalities or maternal obesity. Thirty-five cases were associated with other cardiovascular abnormalities; 8, with extracardiac abnormalities; and 6, with no associated condition. In 44 (89.8%) cases, the innominate veins were absent; the remaining cases had innominate veins. In 14.3% of patients (7 cases), the persistent LSVC drained directly into the atrium. Fetal MRI can detect persistent LSVC and play an adjunctive role along with US in the evaluation of persistent LSVC.
Electron microscopy study of new composite materials based on electrospun carbon nanofibers
Authors: Zhigalina V. G. , Zhigalina O. M. , Ponomarev I. I. , Skupov K. M. , Razorenov D. Yu. , Ponomarev Iv. I. , Kiselev N. A. , Leitinger G.
Published: June 2017

To create a new type of catalytic gas diffusion layer for a high-temperature hydrogen/air polymer-electrolyte membrane fuel cell (HT-PEMFC), a new electrospun carbon nanofiber (CNF)-based platinized nanocomposite was formed.
Two-step fabrication of NaxWO3thin film via oxygen-vacancy-induced effect for energy efficient applications
Authors: Xin Yunchuan , Cao Xun , Bao Shanhu , Ji Shidong , Li Rong , Yang Yao , Zhou Huaijuan , Jin Ping
Published: June 2017

Developing solar modulation materials such as alkali tungsten bronzes with high-performance and low-cost fabrication is extremely important for energy-saving project applications in our modern lives.
PbTiO3-based perovskite ferroelectric and multiferroic thin films
Authors: Wang Yilin , Zhao Hanqing , Zhang Linxing , Chen Jun , Xing Xianran
Published: June 2017

Ferroelectric thin films, especially PbTiO3-based perovskite thin films which possess robust spontaneous electrical polarization, are widely investigated and applied in various devices.
Enhancement of the upconversion photoluminescence of hexagonal phase NaYF4:Yb3+,Er3+ nanoparticles by mesoporous gold films
Authors: Qin Heng , Shamso Ahmed E. , Centeno Anthony , Theodorou Ioannis G. , Mihai Andrei P. , Ryan Mary P. , Xie Fang
Published: June 2017

Efficient enhancement of photoluminescence in rare-earth activated upconversion materials is of great significance for their practical applications in various fields.
Prediction of 1H NMR chemical shifts for clusters of imidazolium-based ionic liquids
Authors: Chen Su , Izgorodina Ekaterina I.
Published: June 2017

In this study we predict proton NMR chemical shifts of imidazolium-based ionic liquids using a cluster approach in combination with a conductor-like polarisable continuum model.
Correlation analysis of protein quality characteristics with gluten-free bread properties
Authors: Horstmann S. W. , Foschia M. , Arendt E. K.
Published: June 2017

Research demonstrates the correlation of protein technofunctional properties with gluten-free bread quality characteristics.
Label-free detection of aggregated platelets in blood by machine-learning-aided optofluidic time-stretch microscopy
Authors: Jiang Yiyue , Lei Cheng , Yasumoto Atsushi , Kobayashi Hirofumi , Aisaka Yuri , Ito Takuro , Guo Baoshan , Nitta Nao , Kutsuna Natsumaro , Ozeki Yasuyuki , Nakagawa Atsuhiro , Yatomi Yutaka , Goda Keisuke
Published: June 2017

Machine-learning-assisted identification of platelet aggregation in human blood with label-free images.
Stimuli-responsive α-helical peptide gatekeepers for mesoporous silica nanocarriers
Authors: Lee Jeonghun , Han Seungjong , Lee Jinyoung , Choi Minhyuek , Kim Chulhee
Published: June 2017

A stimuli-responsive α-helical peptide, as a gatekeeper on the surface of mesoporous silica nanoparticles, efficiently controlled the release of entrapped drugs through triggered conformational conversion and effectively disrupted lipid membranes.
Enhanced lubrication and photocatalytic degradation of liquid paraffin by coral-like MoS2
Authors: Liu Lei , Huang Zhengbin , Peng Yitian , Huang Peng
Published: June 2017

Coral-like MoS2 obtained by hydrothermal method can serve as both lubricating additive and photo-catalyst at different working stages in the full life cycle of LP, which exhibits great potential in developing environment-friendly lubricating systems.
Formation of supermolecular chiral gels from l-aspartic acid-based perylenebisimides and benzene dicarboxylic acids
Authors: Liu Yizhi , Gao Xinpei , Zhao Mingwei , Lu Fei , Zheng Liqiang
Published: June 2017

Herein, the gelation mechanism of l-aspartic acid-based perylenebisimides and various isomeric benzene dicarboxylic acids was investigated.
Preparation and characterization of a PFSA–PVDF blend nanofiber membrane and its preliminary application investigation
Authors: Huang Meng-Nan , Jiang Zhong-Qing , Li Fang-bing , Yang Hu , Xu Zhen-liang
Published: June 2017

Herein, electrospinnability of perfluorosulfonic acid (PFSA)–polyvinylidene fluoride (PVDF) blends with different ratios of PVDF were investigated in detail.
Substituent-sensitive fluorescence of sequentially N-alkylated tetrabenzotetraaza[8]circulenes
Authors: Baryshnikov Gleb V. , Valiev Rashid R. , Minaev Boris F. , Ågren Hans
Published: June 2017

We explore the use of substituent-sensitive balance between fluorescence and non-radiative decay as a tool for optical tuning of N-butylated tetrabenzotetraaza[8]circulenes for organic light emitting diode applications.
Recent advances and perspectives in the design and development of polymyxins
Authors: Rabanal Francesc , Cajal Yolanda
Published: June 2017

Polymyxins: background and future perspectives. Introducing metabolism and detoxification considerations into the design of new polymyxins to reduce nephrotoxicity.
Palladium-catalyzed allylation of tautomerizable heterocycles with alkynes
Authors: Lu Chuan-Jun , Chen Dong-Kai , Chen Hong , Wang Hong , Jin Hongwei , Huang Xifu , Gao Jianrong
Published: June 2017

A palladium-catalyzed allylic amidation of tautomerizable heterocycles was developed in high selectivity with 100% atom economy.
PAA-g-PLA amphiphilic graft copolymer: synthesis, self-assembly, and drug loading ability
Authors: Qian Wenhao , Song Tao , Ye Mao , Xu Peicheng , Lu Guolin , Huang Xiaoyu
Published: June 2017

This article reports the synthesis of a PAA-g-PLA amphiphilic polymer by the combination of RAFT polymerization and organocatalytic ROP, which could self-assemble into spheres in aqueous media for sustained release of doxorubicin.
Nonlinear electrical characteristics of core-satellite CaCu3Ti4O12@ZnO doped silicone rubber composites
Authors: Wang Jun , Wang Xilin , Yao Youwei , Guo Juyi , Ouyang Xiaogang , Jia Zhidong
Published: June 2017

Core-satellite CaCu3Ti4O12@ZnO-doped silicone rubber composites exhibited both excellent nonlinear conductive and dielectric properties with nanofillers for the first time.
Design and synthesis of graphene/activated carbon/polypyrrole flexible supercapacitor electrodes
Authors: Xu Lanshu , Jia Mengying , Li Yue , Zhang Shifeng , Jin Xiaojuan
Published: June 2017

A ternary composite of graphene/activated carbon/polypyrrole (GN/AC/PPy) used as an electrode active material for supercapacitors has been synthesized via vacuum filtration and anodic constant current deposition methods.
Binding behaviour of a 12-mer peptide and its tandem dimer to gymnospermae and angiospermae lignins
Authors: Oshiro Satoshi , Yamaguchi Asako , Watanabe Takashi
Published: June 2017

Analysis of conformational changes of lignin-binding dodecapeptide and its tandem dimer on addition of lignin by ATR-FTIR.
Anions involved in the initiation of the thermally induced SRN1 reaction for α-arylation of ketones
Authors: Caminos Daniel A. , Puiatti Marcelo , Bardagí Javier Ivan , Peñéñory Alicia B.
Published: June 2017

In the SRN1 reaction between acetophenone enolate and PhI with tBuOK in DMSO under microwave irradiation, three anions present in solution act as the electron donor for the ET in the initiation step of the radical chain.
Eosin Y catalysed photoredox synthesis: a review
Authors: Srivastava Vishal , Singh Praveen P.
Published: June 2017

In recent years, photoredox catalysis using eosin Y has come to the fore front in organic chemistry as a powerful strategy for the activation of small molecules.
Using the International Classification of Functioning, Disability and Health in Assessment and Intervention of School-Aged Children With Language Impairments
Authors: Westby Carol , Washington Karla N.
Published: June 2017

Purpose

The aim of this tutorial is to support speech-language pathologists' (SLPs') application of the International Classification of Functioning, Disability and Health (ICF) in assessment and treatment practices with children with language impairment.

Method

This tutorial reviews the framework of the ICF, describes the implications of the ICF for SLPs, distinguishes between students' capacity to perform a skill in a structured context and the actual performance of that skill in naturalistic contexts, and provides a case study of an elementary school child to demonstrate how the principles of the ICF can guide assessment and intervention.

Implications

The Scope of Practice and Preferred Practice documents for the American Speech-Language-Hearing Association identify the ICF as the framework for practice in speech-language pathology. This tutorial will facilitate clinicians' ability to identify personal and environmental factors that influence students' skill capacity and skill performance, assess students' capacity and performance, and develop impairment-based and socially based language goals linked to Common Core State Standards that build students' language capacity and their communicative performance in naturalistic contexts.
Fetomaternal and Pediatric Toxoplasmosis
Authors: Oz Helieh
Published: June 2017

Toxoplasmosis is one of the most important causes of foodborne illnesses and inflammatory complications, as well as congenital disorders. Promiscuous Toxoplasma is transmitted by contaminated food and animal produce, water, vegetations, fruits, and sexually through semen. Toxoplasma infects nucleated cells with a unique tropism for muscles and central nervous system and a mind bugging malicious effect. Pregnant women with acute or reactivated toxoplasmosis can transmit Toxoplasma via transplacental transmission to the fetus. The severity of congenital toxoplasmosis depends on the gestation period, as infection in early pregnancy causes more severe consequences. Congenital toxoplasmosis complications include miscarriage, encephalitis, neurological retardation, mental illnesses, auditory, and visual inflammatory disorders, cardiovascular abnormalities, and pains. Current therapies are inefficient for congenital and chronic toxoplasmosis or have severe side effects with life-threatening complications. There is an urgent need for effective and safe therapeutic modalities to treat complications of toxoplasmosis and effective vaccines to eliminate the infectious agent. This investigation will discuss the pathogenesis of fetomaternal, congenital, and pediatric toxoplasmosis, the currently available therapies in practice, and explore those therapeutic modalities in experimental stages for promising future trials.
Synthesis, Characterisation, Molecular Docking, Anti-microbial and Anti-diabetic Screening of Substituted 4-indolylphenyl-6-arylpyrimidine-2-imine Derivatives
Authors: Ramya Veerasamy , Vembu Santhirakasu , Ariharasivakumar Ganesan , Gopalakrishnan Manathusamy
Published: June 2017

The purpose of the research is to synthesise a novel series of (E)-2-(4-(1H-indol-3-yl)-6-p-substituted phenylpyrimidin-2-yl)dimethylguanidine derivatives since 3-(1H-indol-3-yl)-1-p-substituted phenylprop-2-en-1-one and evaluate their molecular docking studies, antimicrobial, and anti-diabetic activities. Among all the synthesized compounds (11a-g), compound 11a exhibits excellent CDOCKER energy (−11.36 kcal/mol). The entire compounds (11a-g) confirm very good antimicrobial activity towards the tested microorganisms. In the in vitro anti-diabetic studies, compounds (11a, 11c, and 11g) confirm higher alpha-amylase and alpha-glucosidase inhibition activity. In the in vivo anti-diabetic activities, the synthesized compounds (11a-g) (10 mg/kg, p.o.) investigated by the streptozotocin (60 mg/kg, ip) –nicotinamide (120 mg/kg, p.o.) – induced model in adult male albino Wistar rat and these derivatives show considerable fasting blood glucose level when compared to metformin hydrochloride a potent and well-known anti-diabetic drug as a reference.
Curcumin Promotes Apoptosis of Activated Hepatic Stellate Cells by Inhibiting Protein Expression of the MyD88 Pathway
Authors: He Ya-Jun , Kuchta Kenny , Deng Yan-Mei , Cameron Silke , Lin Yu , Liu Xu-You , Ye Guo-Ron , Lv Xia , Kobayashi Yuta , Shu Jian-Chang
Published: June 2017

Activation and proliferation of hepatic stellate cells (HSC) play an important role in the progress of liver fibrosis. HSC activation occurs in response to inflammatory cytokines, cellular interactions with immune cells, and morphogenetic signals. The literature hints to a role of the adaptor protein MyD88 in fibrosis. Although curcumin has been shown to exert inhibitory effects on the proliferation of HSC in vitro, its influence on the MyD88 pathway in HSC has remained unclear. Here, we investigated whether curcumin accelerates apoptosis of HSC through the MyD88 pathway. HSC (rat HSC T6) were divided into a control group, MyD88 small interfering RNA (siRNA) group, curcumin group, and curcumin + MyD88 siRNA group. The MyD88 siRNA groups were exposed to siRNA for 48 h. The curcumin groups were cultured in the presence of curcumin for 24 h. Apoptosis was detected by flow cytometry. For Toll-like receptor (TLR) 2 and 4 as well as MyD88 and the dependent factors NF-κB, TNF-α, and IL-1β, mRNA expression was detected by reverse transcription polymerase chain reaction (RT-PCR). For MyD88, protein expression was further observed by Western Blot. Both curcumin and MyD88 siRNA inhibited the mRNA expression of MyD88 pathway-related effectors (TLR2, TLR4, NF-κB, TNF-α, IL-1β) in HSC. Furthermore, both treatments reduced the expression of MyD88 protein in HSC and promoted their apoptosis. These effects were more obvious in the curcumin + MyD88 siRNA group. This study demonstrates that curcumin promotes apoptosis of activated HSC by inhibiting the expression of cytokines related to the MyD88 pathway. It elucidates the possible mechanisms of curcumin in inducing apoptosis of HSC through the MyD88 pathway.
Das stomatognathe System aus osteopathischer Sicht
Authors: Amigues Jean-Pierre
Published: June 2017

Das stomatognathe System spielt in der osteopathischen Diagnose und Behandlung eine zentrale Rolle, da es Bissstellung, Kiefergelenk und kranio-zervikale Haltung verbindet und so eine Vielzahl von Strukturen und Funktionen beeinflusst. Der Artikel listet einige dieser Zusammenhänge auf und beschreibt die Arbeit des Osteopathen an diesem System, die bei Kindern präventiven Charakter hat.
Das Kiefergelenk des Menschen
Authors: Breul Rainer
Published: June 2017

Das Kiefergelenk erweist sich als eine anatomisch und physiologisch äußerst komplexe Struktur. Der Artikel beschreibt die entwicklungsgeschichtliche Entstehung dieses Gelenks und dessen Integration in das orofaziale und postkranielle System. Weitere Abschnitte erläutern Innervation, Anatomie und Kinematik. Eine biomechanische Betrachtung schließt den Artikel ab.
Sub-grain induced crack deviation in multi-crystalline silicon
Authors: Zhao Lv , Nelias Daniel , Bardel Didier , Wang Meng , Marie Benoit
Published: June 2017

The fracture process in crystalline silicon is dictated by energy dissipation. Here, we show that sub-grains can deviate the crack path from the most energetically favorable (111) plane. Albeit a small misorientation across the sub-grain boundary is identified, upon entering into the sub-grain region, the crack either slightly deviates from the ideal (111) plane or directly chooses the secondly most favorable (110) one. We propose that the deviation is related to the dislocation core in the (111) crystal plane, which leads to a discontinuous atom debonding process and consequently a pronounced lattice trapping. In this circumstance, localized crystal defects prevail in the fracture process of silicon, while energetical criterion fails to interpret the crack path.
Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations
Authors: Idrissi Abdenacer , Marekha Bogdan A. , Barj Mohammed , Miannay François Alexandre , Takamuku Toshiyuki , Raptis Vasilios , Samios Jannis , Jedlovszky Pál
Published: June 2017

The information about the structure of dimethyl sulfoxide (DMSO)-water mixtures at relatively low DMSO mole fractions is an important step in order to understand their cryoprotective properties as well as the solvation process of proteins and amino acids. Classical MD simulations, using the potential model combination that best reproduces the free energy of mixing of these compounds, are used to analyze the local structure of DMSO-water mixtures at DMSO mole fractions below 0.2. Significant changes in the local structure of DMSO are observed around the DMSO mole fraction of 0.1. The array of evidence, based on the cluster and the metric and topological parameters of the Voronoi polyhedra distributions, indicates that these changes are associated with the simultaneous increase of the number of DMSO-water and decrease of water-water hydrogen bonds with increasing DMSO concentration. The inversion between the dominance of these two types of H-bonds occurs around XDMSO = 0.1, above which the DMSO-DMSO interactions also start playing an important role. In other words, below the DMSO mole fraction of 0.1, DMSO molecules are mainly solvated by water molecules, while above it, their solvation shell consists of a mixture of water and DMSO. The trigonal, tetrahedral, and trigonal bipyramidal distributions of water shift to lower corresponding order parameter values indicating the loosening of these orientations. Adding DMSO does not affect the hydrogen bonding between a reference water molecule and its first neighbor hydrogen bonded water molecules, while it increases the bent hydrogen bond geometry involving the second ones. The close-packed local structure of the third, fourth, and fifth water neighbors also is reinforced. In accordance with previous theoretical and experimental data, the hydrogen bonding between water and the first, the second, and the third DMSO neighbors is stronger than that with its corresponding water neighbors. At a given DMSO mole fraction, the behavior of the intensity of the high orientational order parameter values indicates that water molecules are more ordered in the vicinity of the hydrophilic group while their structure is close-packed near the hydrophobic group of DMSO.
NH3 as unique non-classical content-former within clathrate hydrates
Authors: Maşlakcı Zafer , Devlin J. Paul , Uras-Aytemiz Nevin
Published: June 2017

High quality FTIR spectra of aerosols of NH3–THF and NH3–TMO binary clathrate hydrates (CHs) have been measured. Our recently developed all-vapor sub-second approach to clathrate-hydrate formation combined with computational studies has been used to identify vibrational spectroscopic signatures of NH3 within the gas hydrates. The present study shows that there are three distinct NH3 types, namely, classical small-cage NH3, nonclassical small-cage NH3, and NH3 within the hydrate network. The network ammonia does not directly trigger the non-classical CH structure. Rather, the ammonia within the network structure perturbs the water bonding, introducing orientational defects that are stabilized by small and/or large cage guest molecules through H-bonding. This unusual behavior of NH3 within CHs opens a possibility for catalytic action of NH3 during CH-formation. Furthermore, impacts over time of the small-cage NH3-replacement molecules CO2 and CH4 on the structure and composition of the ternary CHs have been noted.
Metal-insulator transition and nonlinear optical responseof sputter-deposited V3O5 thin films
Authors: Rúa Armando , Díaz Ramón D. , Kumar Nardeep , Lysenko Sergiy , Fernández Félix E.
Published: June 2017

The compound V3O5, a member of the vanadium oxide Magnéli series, exhibits a metal-insulator transition near 430 K, the highest known temperature value among all vanadium oxides. It has been studied before mainly in single-crystal form, and for the very few cases in which thin films have been fabricated before, the procedure has required extensive post-deposition annealing of other oxides or vanadium metal at high temperatures in tightly controlled atmospheres. For the present work, V3O5 films were deposited directly on SiO2 glass substrates, without subsequent annealing, by DC magnetron sputtering. X-ray diffraction study of the samples evidenced oxygen deficiency, accommodated by oxygen vacancies. Resistivity measurements from 300 to 500 K revealed the metal-insulator transition by Tc ∼ 430 K, with an associated resistivity change by a factor of 20, and no detectable hysteresis in heating-cooling cycles, in agreement with most single-crystal studies. Resistivity values obtained were, however, lower than published results for bulk crystal values, particularly at temperatures below Tc. This was attributed to conduction electrons generated by the oxygen vacancies. Gradual resistivity increase in a very thin sample, through heating in air at temperatures up to 500 K, lends support to this argument. Using a pump-probe scattering technique, the V3O5 films were also probed for ultrafast nonlinear optical response. A reduction in the transient relative scattered light signal was recorded, which reached –10% within ∼800 fs. This observed response, likely related to the photoinduced insulator-to-metal phase transition, should stimulate additional interest in this material.
Terahertz detection using mechanical resonators based on 2D materials
Authors: Hassel Juha , Oksanen Mika , Elo Teemu , Seppä Heikki , Hakonen Pertti J.
Published: June 2017

We have investigated a THz detection scheme based on mixing of electrical signals in a voltage-dependent capacitance made out of suspended graphene. We have analyzed both coherent and incoherent detection regimes and compared their performance with the state of the art. Using a high-amplitude local oscillator, we anticipate potential for quantum limited detection in the coherent mode. The sensitivity stems from the extraordinary mechanical and electrical properties of atomically thin graphene or graphene-related 2D materials.
Temporal Patterns of Migration and Spawning of River Herring in Coastal Massachusetts
Authors: Rosset Julianne , Roy Allison H. , Gahagan Benjamin I. , Whiteley Andrew R. , Armstrong Michael P. , Sheppard John J. , Jordaan Adrian
Published: June 2017

Migrations of springtime Alewife Alosa pseudoharengus and Blueback Herring A. aestivalis, collectively referred to as river herring, are monitored in many rivers along the Atlantic coast to estimate population sizes. While these estimates give an indication of annual differences in the number of returning adults, links to the subsequent timing and duration of spawning and freshwater juvenile productivity remain equivocal. In this study, we captured juvenile river herring at night in 20 coastal Massachusetts lakes using a purse seine and extracted otoliths to derive daily fish ages and back‐calculate spawn dates. Estimates of spawning dates were compared with fishway counts of migrating adults to assess differences in migration timing and the timing and duration of spawning. We observed a distinct delay between the beginning of the adult migration run and the start of spawning, ranging from 7 to 28 d across the 20 lakes. Spawning continued 13–48 d after adults stopped migrating into freshwater, further demonstrating a pronounced delay in spawning following migration. Across the study sites the duration of spawning (43–76 d) was longer but not related to the duration of migration (29–66 d). The extended spawning period is consistent with recent studies suggesting that Alewives are indeterminate spawners. The long duration in freshwater provides the opportunity for top‐down (i.e., predation on zooplankton) and bottom‐up (i.e., food for avian, fish, and other predators) effects, with implications for freshwater food webs and nutrient cycling. General patterns of spawn timing and duration can be incorporated into population models and used to estimate temporal changes in productivity associated with variable timing and density of spawning river herring in lakes.
Concurrently Assessing Survey Mode and Sample Size in Off-Site Angler Surveys
Authors: Barrett Boyd N. , Poorten Brett , Cooper Andrew B. , Haider Wolfgang
Published: June 2017

Off-site angler surveys are commonly administered via two or more survey modes in the form of a mixed-mode survey. Mixed-mode surveys allow survey administrators to attain the benefits inherent to different survey modes, reduce total survey error, and control survey cost. However, these benefits can only be simultaneously attained after undertaking sample size planning. Sample size planning is a trade-off analysis wherein a researcher concurrently assesses survey administration cost, the accuracy and precision of estimates, the magnitude and direction of biases, and variance of the test statistic to determine an optimal sample size. We used data from an off-site angler survey administered to anglers targeting White Sturgeon Acipenser transmontanus to illustrate a systematic approach to sample size planning. Our survey design included a mixed-mode design with three survey modes (e-mail, mail, and telephone) and a two-phase sampling design that had a first contact and a follow-up contact with a subsample of nonrespondents. Sample size planning was undertaken in the form of a sensitivity analysis wherein four survey design alternatives were simulated and assessed based on four criteria (i.e., bias, precision, accuracy, and cost). We also incorporated tests for nonresponse bias and survey mode effect. We found that (1) response rates were lower for e-mail surveys (22%) than for mail surveys and telephone surveys (39–44%); (2) nonresponse bias did not have a substantial effect on survey estimates from the mixed-mode design; and (3) estimates (total effort and total catch) from the mail and e-mail survey modes were significantly different, indicating a survey mode effect. The high variability of anglers’ annual catch made survey estimates highly imprecise at lower sample sizes. The level of acceptable error varies for each study. Therefore, a systematic approach to sample size planning is necessary to determine the point where acceptable error is reached while considering multiple survey design alternatives.

Received September 25, 2016; accepted April 24, 2017 Published online June 19, 2017
Population Dynamics and Reproduction of Mediterranean Green Crab Carcinus aestuarii in Parila Lagoon (Neretva Estuary, Adriatic Sea, Croatia) as Fishery Management Tools
Authors: Glamuzina Luka , Conides Alexis , Mancinelli Giorgio , Dobroslavić Tatjana , Bartulović Vlasta , Matić-Skoko Sanja , Glamuzina Branko
Published: June 2017

Population structure, age, growth, mortality, and reproduction patterns of the Mediterranean green crab Carcinus aestuarii were determined for the native population in Parila Lagoon (Neretva Estuary, Middle Adriatic, Croatia). The population size structure showed two distinct cohorts: (1) specimens with a carapace width of 20–34 mm and dominated by females and (2) large-sized specimens with a carapace width > 34 mm with males significantly dominating and no females found above 46 mm. Males appeared to grow faster than females in the first and second year of the life cycle. Most of the natural mortality (70.4%) occurred during the first year of life. This indicates high predation pressure from fish and other crab species on small-sized (less than 25 mm) C. aestuarii cohorts. The peak of ovigerous female occurrence occurred in January 2015. A very small percentage of ovigerous females appeared in June 2015. The 50% ovigerous size for the population was estimated at a carapace width of 29.65 mm and weight of 10.39 g. The average fecundity was 61,017 eggs/female, with an average fecundity per gram of female wet weight of 4,804 eggs. The biological characteristics and population dynamics of C. aestuarii show that life history traits of this species (such as the smallest and average ovigerous female size, the mortality rate during the first year of life or the establishment of a second year, and a late-spring reproduction period) should be used to monitor potential changes in ecosystem properties of Mediterranean transitional waters and to manage potential fisheries.
pulseR: Versatile computational analysis of RNA turnover from metabolic labeling experiments
Authors: Uvarovskii Alexey , Dieterich Christoph
Published: June 2017

Motivation

Metabolic labelling of RNA is a well-established and powerful method to estimate RNA synthesis and decay rates. The pulseR R package simplifies the analysis of RNA-seq count data that emerge from corresponding pulse-chase experiments.

Results

The pulseR package provides a flexible interface and readily accommodates numerous different experimental designs. To our knowledge, it is the first publicly available software solution that models count data with the more appropriate negative-binomial model. Moreover, pulseR handles labelled and unlabelled spike-in sets in its workflow and accounts for potential labeling biases (e.g. number of uridine residues).

Availability and implementation

The pulseR package is freely available at https://github.com/dieterich-lab/pulseR under the GPLv3.0 licence.

Supplementary information

Supplementary data are available at Bioinformatics online.
Practical considerations for large-scale gut microbiome studies
Authors: Vandeputte Doris , Tito Raul Y. , Vanleeuwen Rianne , Falony Gwen , Raes Jeroen
Published: June 2017

First insights on the human gut microbiome have been gained from medium-sized, cross-sectional studies. However, given the modest portion of explained variance of currently identified covariates and the small effect size of gut microbiota modulation strategies, upscaling seems essential for further discovery and characterisation of the multiple influencing factors and their relative contribution. In order to guide future research projects and standardisation efforts, we here review currently applied collection and preservation methods for gut microbiome research. We discuss aspects such as sample quality, applicable omics techniques, user experience and time and cost efficiency. In addition, we evaluate the protocols of a large-scale microbiome cohort initiative, the Flemish Gut Flora Project, to give an idea of perspectives, and pitfalls of large-scale faecal sampling studies. Although cryopreservation can be regarded as the gold standard, freezing protocols generally require more resources due to cold chain management. However, here we show that much can be gained from an optimised transport chain and sample aliquoting before freezing. Other protocols can be useful as long as they preserve the microbial signature of a sample such that relevant conclusions can be drawn regarding the research question, and the obtained data are stable and reproducible over time.
Biological classification with RNA-Seq data: Can alternative splicing enhance machine learning classifier?
Authors: Johnson Nathan T. , Dhroso Andi , Hughes Katelyn J. , Korkin Dmitry
Published: June 2017

The extent to which the genes are expressed in the cell can be simplistically defined as a function of one or more factors of the environment, lifestyle, and genetics. RNA sequencing (RNA-Seq) is becoming a prevalent approach to quantify gene expression, and is expected to gain better insights to a number of biological and biomedical questions, compared to the DNA microarrays. Most importantly, RNA-Seq allows to quantify expression at the gene and alternative splicing isoform levels. However, leveraging the RNA-Seq data requires development of new data mining and analytics methods. Supervised machine learning methods are commonly used approaches for biological data analysis, and have recently gained attention for their applications to the RNA-Seq data.

In this work, we assess the utility of supervised learning methods trained on RNA-Seq data for a diverse range of biological classification tasks. We hypothesize that the isoform-level expression data is more informative for biological classification tasks than the gene-level expression data. Our large-scale assessment is done through utilizing multiple datasets, organisms, lab groups, and RNA-Seq analysis pipelines. Overall, we performed and assessed 61 biological classification problems that leverage three independent RNA-Seq datasets and include over 2,000 samples that come from multiple organisms, lab groups, and RNA-Seq analyses. These 61 problems include predictions of the tissue type, sex, or age of the sample, healthy or cancerous phenotypes and, the pathological tumor stage for the samples from the cancerous tissue. For each classification problem, the performance of three normalization techniques and six machine learning classifiers was explored. We find that for every single classification problem, the isoform-based classifiers outperform or are comparable with gene expression based methods. The top-performing supervised learning techniques reached a near perfect classification accuracy, demonstrating the utility of supervised learning for RNA-Seq based data analysis.