bluuebunny/crossref_metadata_2025 huggingface dataset:
Critical comparison of the on‐line and off‐line molecularly imprinted solid‐phase extraction of patulin coupled with liquid chromatography
Authors: Lhotská Ivona , Holznerová Anežka , Solich Petr , Šatínský Dalibor
Published: October 2017

Reaching trace amounts of mycotoxin contamination requires sensitive and selective analytical tools for their determination. Improving the selectivity of sample pretreatment steps covering new and modern extraction techniques is one way to achieve it. Molecularly imprinted polymers as selective sorbent for extraction undoubtedly meet these criteria. The presented work is focused on the hyphenation of on‐line molecularly imprinted solid‐phase extraction with a chromatography system using a column‐switching approach. Making a critical comparison with a simultaneously developed off‐line extraction procedure, evaluation of pros and cons of each method, and determining the reliability of both methods on a real sample analysis were carried out. Both high‐performance liquid chromatography methods, using off‐line extraction on molecularly imprinted polymer and an on‐line column‐switching approach, were validated, and the validation results were compared against each other. Although automation leads to significant time savings, fewer human errors, and required no handling of toxic solvents, it reached worse detection limits (15 versus 6 μg/L), worse recovery values (68.3–123.5 versus 81.2–109.9%), and worse efficiency throughout the entire clean‐up process in comparison with the off‐line extraction method. The difficulties encountered, the compromises made during the optimization of on‐line coupling and their critical evaluation are presented in detail.
Impact of the Catalytic System on the Formation of Structural Defects for the Synthesis of Well‐Defined Donor–Acceptor Semiconducting Polymers
Authors: Spanos Michael , Gregoriou Vasilis G. , Avgeropoulos Apostolos , Chochos Christos L.
Published: October 2017

This study the impact of different catalytic systems on the formation of structural defects among the macromolecular chain, in the molecular characteristics (average molecular weights per number (), per weight (), and polydispersity index (Đ)), along with the composition ratio of the two monomeric units within the main chain for a specific class of conjugated polymers through the utilization of size exclusion chromatography and proton nuclear magnetic resonance (1H‐NMR) spectroscopy, respectively is examined. From the obtained results, the formation of the structural defects in the studied “donor–acceptor” polymers is visualized and quantified by 1H‐NMR. The alternating polymers containing the lower percentage of chemical defects demonstrate increased and values and increased absorption co‐efficiency as recorded by UV–vis absorption spectroscopy. Therefore, it is evident that this work highlights optimum Stille cross‐coupling polymerization conditions, which can be a guide rule for the synthesis of defect‐free conjugated polymers.
Directed Orientation of Oligo(phenylene ethynylene)s Using Ureas or Urethanes in Rod–Coil Copolymers
Authors: Ahner Johannes , Micheel Mathias , Enke Marcel , Zechel Stefan , Schubert Ulrich S. , Dietzek Benjamin , Hager Martin D.
Published: October 2017

Interchromophoric interactions between oligo(phenylene ethynylene)s incorporated in copolymers in solution as well as in solid state are investigated using UV/Vis and IR spectroscopy. One promising strategy to enable strong interchromophoric interactions is the introduction of hydrogen‐bonding moieties. Together with the tendency of the chromophores to self‐assemble via π–π‐stacking a dense packing of the chromophores within a polymer film can be achieved. In order to demonstrate this strategy, oligo(phenylene ethynylene)s are used as monomers for copolymers using the highly efficient blocked isocyanate route and polymer films are prepared by spin coating technique. The copolymers are prepared by an in situ deprotection of a pyrazol protected bis‐isocyanate functionalized rigid chromophore followed by subsequent polyaddition using a bis‐amine or bis‐alcohol linker unit. The specific introduction of urea as well as urethane moieties enhances coplanarization of the chromophores in the polymer films into well‐organized structures, which can be characterized based on their specific optical properties.
Transition Metal Ion‐Induced High Electrocatalytic Performance of Conducting Polymer for Oxygen and Hydrogen Evolution Reactions
Authors: Dong Yu‐Tao , Feng Jin‐Xian , Li Gao‐Ren
Published: October 2017

Here, it is discovered that the conductive polymers with heteroatoms, such as polypyrrole (PPy) and polyaniline (PANI), are electroactive for hydrogen evolution reaction (HER) or oxygen evolution reaction (OER) in alkaline media. Density functional theory calculations demonstrate that the heteroatoms in the conducting polymers, such as N, can induce the formation of the electrocatalytic active centers (EACs). For further enhancement of performance, the transition metal ion (TMI)‐doped conductive polymers (such as Co(II)‐doped PPy and Fe(III)‐doped PANI) supported on nickel foam are developed as low‐cost and high‐performance electrocatalysts for HER or OER. Here, it is demonstrated that the TMN bonds in TMI‐doped conductive polymer can efficiently create high EACs and obviously lower energy barriers of intermediates and products of HER or OER. The experimental results show that the TMI‐doped conductive polymer exhibits significantly improved electrocatalytic performance, such as low onset potential, high electrocatalytic activity, and excellent long‐term durability. The results suggest the great promise of developing a new family of TMI‐doped conducting polymers as low‐cost and high‐performance electrocatalysts for HER and OER in alkaline media.
Recent Progress on the Confinement, Assembly, and Relaxation of Inorganic Functional Fillers in Polymer Matrix during Processing
Authors: Deng Hua , Fu Qiang
Published: October 2017

Functional polymer composites have gained extensive interest due to their wide range of applications. Various functionalities are mainly provided by functional fillers and their networks in polymer matrix. Therefore, morphology control on filler network has important influence on the final functionalities. The confinement, assembly, and relaxation of inorganic functional fillers in polymers are thought as the basic issues related to such control. Processing as the means to achieve the desired shape and properties for materials often involves strong temperature and shear field, among other factors—not to mention the complex interaction between polymer and filler. These processing fields and interactions during processing are reported to have profound influence on the confinement, assembly, and relaxation of inorganic fillers in polymer matrix. Therefore, various functionalities could be significantly affected by processing. This paper is a review of recent developments in this area.
Telechelic Polybutadienes or Polyisoprenes Precursors for Recyclable Elastomeric Networks
Authors: Berto Pierre , Grelier Stéphane , Peruch Frédéric
Published: October 2017

(Bis)furan‐telechelic, low‐molar‐mass polybutadienes and polyisoprenes are synthesized by controlled degradation of high molar mass polymers and chain‐end modifications yielding difunctional, trifunctional, or tetrafunctional polymers. Addition of a bismaleimide to the liquid‐modified polymer leads to the formation of a thermoreversible elastomeric network based on the Diels–Alder chemistry for the trifunctional or tetrafunctional polymers, whereas only chain extension occurs for the bifunctional one. Dynamic mechanical analyses or tensile tests are performed on the networks and reveal a similar behavior for polyisoprene and polybutadiene with nevertheless quite different Young modulus or strain at break. The retro Diels–Alder reaction occurs upon heating, allowing the remolding of the used elastomer. The remolded network exhibits the same mechanical properties as the initial network, showing an efficient material recyclability.
Multiobjective navigation of external radiotherapy plans based on clinical criteria
Authors: Lin Kuan‐Min , Ehrgott Matthias
Published: October 2017

This study considers a navigation method for finding the most preferable radiotherapy plan from a discrete set using planner‐defined clinical criteria. The method is based on repeatedly solving an optimization model to identify a plan that best satisfies the aspiration values set by the planner. During navigation, the planner iteratively adjusts the aspiration values to match the preference information learned from previous plans until the most preferable plan is identified. The use of soft constraints to model aspiration values enables navigation amongst a discrete set and allows the planner to freely specify the aspiration values without producing an infeasible model. We demonstrate the use of the model by applying it to a prostate cancer case. This illustrates that improvements in optimization criteria do not necessarily lead to improvements in clinical criteria. Hence, the method obviates the need to simultaneously monitor both optimization and clinical criteria in current navigation systems. Instead, the direct use of clinical criteria for navigation aids the planner to quickly identify the most preferable plan.
Blueberry Metabolites Attenuate Lipotoxicity‐Induced Endothelial Dysfunction
Authors: Bharat Divya , Cavalcanti Rafaela Ramos Mororo , Petersen Chrissa , Begaye Nathan , Cutler Brett Ronald , Costa Marcella Melo Assis , Ramos Renata Kelly Luna Gomes , Ferreira Marina Ramos , Li Youyou , Bharath Leena P. , Toolson Emma , Sebahar Paul , Looper Ryan E. , Jalili Thunder , Rajasekaran Namakkal S. , Jia Zhenquan , Symons J. David , Anandh Babu Pon Velayutham
Published: October 2017

Scope

Lipotoxicity‐induced endothelial dysfunction is an important vascular complication associated with diabetes. Clinical studies support the vascular benefits of blueberry anthocyanins, but the underlying mechanism is unclear. The hypothesis that metabolites of blueberry anthocyanins attenuate lipotoxicity‐induced endothelial dysfunction was tested.

Methods and results

Human aortic endothelial cells (HAECs) were treated for 6 h with either: (i) the parent anthocyanins (malvidin‐3‐glucoside and cyanidin‐3‐glucoside); or (ii) the blueberry metabolites (hydroxyhippuric acid, hippuric acid, benzoic acid‐4‐sulfate, isovanillic acid‐3‐sulfate, and vanillic acid‐4‐sulfate), at concentrations known to circulate in humans following blueberry consumption. For the last 5 h HAECs were treated with palmitate or vehicle. HAECs treated with palmitate displayed elevated reactive oxygen species generation, increased mRNA expression of NOX4, chemokines, adhesion molecules, and IκBα, exaggerated monocyte binding, and suppressed nitric oxide production. Of note, the damaging effects of palmitate were ameliorated in HAECs treated with blueberry metabolites but not parent anthocyanins. Further, important translational relevance of these results was provided by our observation that palmitate‐induced endothelial dysfunction was lessened in arterial segments that incubated concurrently with blueberry metabolites.

Conclusion

The presented findings indicate that the vascular benefits of blueberry anthocyanins are mediated by their metabolites. Blueberries might complement existing therapies to lessen vascular complications.
Two‐grid method for two‐dimensional nonlinear Schrödinger equation by finite element method
Authors: Hu Hanzhang
Published: October 2017

A conservative two‐grid finite element scheme is presented for the two‐dimensional nonlinear Schrödinger equation. One Newton iteration is applied on the fine grid to linearize the fully discrete problem using the coarse‐grid solution as the initial guess. Moreover, error estimates are conducted for the two‐grid method. It is shown that the coarse space can be extremely coarse, with no loss in the order of accuracy, and still achieve the asymptotically optimal approximation as long as the mesh sizes satisfy in the two‐grid method. The numerical results show that this method is very effective.
Chromosomal and subchromosomal anomalies associated to small for gestational age fetuses with no additional structural anomalies
Authors: Peng Ruan , Zhou Yi , Xie Hong‐Ning , Lin Mei‐Fang , Zheng Ju
Published: October 2017

What's already known about this topic?

Published studies have shown a 6.8 to 11.4% incremental yield of chromosomal abnormalities over karyotyping in SGA cases combined with structural anomalies or nonstructural anomalies.

What does this study add?

Our study showed that chromosomal and subchromosomal anomalies occurred in 7.8% (10/128) SGA fetuses with no additional structural anomalies, among which 9 cases could be identified with CMA. Chromosomal and subchromosomal anomalies occurred significantly higher in cases with oligohydraminos and in early onset cases.
Modelling cumulative exposure for inference about drug effects in observational studies
Authors: Farran Bassam , McGurnaghan Stuart , Looker Helen C. , Livingstone Shona , Lahnsteiner Eva , Colhoun Helen M. , McKeigue Paul M.
Published: October 2017

Purpose

To demonstrate a modelling approach that controls for time‐invariant allocation bias in estimation of associations of outcome with drug exposure.

Methods

We show that in a model that includes terms for both ever‐exposure versus never‐exposure and cumulative exposure, the parameter for ever‐exposure represents the effect of time‐invariant allocation bias, and the parameter for cumulative exposure represents the effect of the drug after adjustment for this unmeasured confounding. This assumes no stepwise effect of the drug on the event rate, no reverse causation, and no unmeasured time‐varying confounders. We demonstrated this by modelling the effect of statins on cardiovascular disease, for which the true effect has been well characterised in randomised trials, using time‐updated Cox regression models in a national cohort of Type 2 diabetes patients.

Results

The crude hazard ratio associated with ever‐use of statins was 1.13 in a standard cohort analysis comparing exposed with unexposed person‐time intervals. When ever‐never use and cumulative exposure are modelled jointly, the effect of statins can be estimated from the cumulative exposure parameter (hazard ratio 0.97 per year of exposure, 95% CI 0.97 to 0.98). The ever‐exposed term (hazard ratio 1.20, 1.16 to 1.23) in this model can be interpreted as estimating the allocation bias.

Conclusions

Where stepwise effects on the risk of adverse events are unlikely, as for instance for effects on risk of cancer, joint modelling of ever‐never and cumulative exposure can be used to study the effects of multiple drugs and to distinguish causal effects from confounding by allocation.
A Three–Domain Personality Analysis of A Mentally Tough Athlete
Authors: Coulter Tristan J. , Mallett Clifford J. , Singer Jefferson A.
Published: October 2017

The current study adopted McAdams’ multilayer framework as the basis to develop a psychological portrait of an elite athlete who was identified as being particularly ‘mentally tough’. The aim was to use this single case as an exemplar to demonstrate the utility of McAdams’ framework for understanding the complexity of sport performers across three domains of personality: dispositional traits, characteristic adaptations, and narrative identity. We operationalised these domains through the development of specific research questions and, subsequently, the collection and integration of the participant's Big Five traits, personal strivings, coping strategies, and response to a life story interview. The results offered a comprehensive insight into the nature of one athlete's personality that, in turn, informed conceptual perspectives of mental toughness in sport psychology literature and qualitatively supported emerging evidence of the validity of a three–layer framework in personality psychology. Specifically, the study's design showed how a holistic approach to personality analysis can lead to a more complete psychological representation of competitors in sport, and people generally. It demonstrated how motivational, sociocultural, and meaning–making aspects of personality can complement a trait profile to achieving a satisfying assessment of the whole person. Copyright © 2017 European Association of Personality Psychology
An efficient, heterogeneous, reusable atom transfer radical polymerization catalyst
Authors: Taskin Omer Suat , Kiskan Baris , Yagci Yusuf
Published: October 2017

Melamine based porous polymer (MPP) was prepared as a template solid to incorporate Cu(I) cations into the framework through chelating with nitrogen groups of the melamine. The copper integrated porous material (Cu(I)@MPP) was used as a heterogeneous catalyst and displayed high activity in copper catalyzed atom transfer radical polymerization of methyl methacrylate. The characterization of the Cu(I)@MPP was performed using nitrogen adsorption experiments and wide‐angle X‐ray and Fourier transform infrared spectroscopies. The atomic absorption spectroscopy measurements confirmed that the catalyst is practically non‐leaching and Cu(I) was found to be below 20 ppb after each atom transfer radical polymerization. Moreover, the catalyst showed reusability without any significant change in its activity. © 2017 Society of Chemical Industry
Medium band gap conjugated polymers from thienoacene derivatives and pentacyclic aromatic lactam as promising alternatives of poly(3‐hexylthiophene) in photovoltaic application
Authors: Gao Peili , Tong Junfeng , Guo Pengzhi , Li Jianfeng , Wang Ningning , Li Cheng , Ma Xuying , Zhang Peng , Wang Chenglong , Xia Yangjun
Published: October 2017

Two alternating medium band gap conjugated polymers (PBDT‐TPTI and PDTBDT‐TPTI) derived from 4,8‐bis(4,5‐dioctylthien‐2‐yl)benzo[1,2‐b:4,5‐b′]dithiophene (BDT‐T) or 5,10‐bis(4,5‐didecylthien‐2‐yl)dithieno[2,3‐d:2′,3′‐d′]benzo[1,2‐b:4,5‐b′]dithiophene (DTBDT‐T) with pentacyclic aromatic lactam of N,N‐didodecylthieno[2′,3′:5,6]pyrido[3,4‐g]thieno[3,2‐c]‐iso‐quinoline‐5,11‐dione (TPTI), are synthesized and characterized. The comparative investigation of the photostabilities of the copolymers revealed that the PDTBDT‐TPTI film exhibited the comparable photostability in relative to P3HT. Meanwhile, the inverted photovoltaic cells (i‐PVCs) from the blend films of PBDT‐TPTI and/or PDTBDT‐TPTI with PC71BM, in which poly[(9,9‐bis(3′‐(N,N‐dimethylamino)propyl)‐2,7‐fluorene)‐alt‐2,7‐(9,9‐dioctylfluorene)] were used as cathode modifying interlayer, presented higher power conversion efficiencies (PCEs) of 5.98% and 6.05% with photocurrent response ranging from 300 nm to 650 nm in contrast with the PCEs of 4.48% for the optimal inverted PVCs from P3HT/PC71BM under AM 1.5 G 100 mW/cm2. The PCEs of the i‐PVCs from PBDT‐TPTI and PDTBDT‐TPTI were improved to 7.58% and 6.91% in contrast to that of 0.02% for the P3HT‐based i‐PVCs, and the photocurrent responses of the devices were extended to 300–792 nm, when the ITIC was used as electron acceptor materials. The results indicate that the PBDT‐TPTI and PDTBDT‐TPTI can be used as the promising alternatives of notable P3HT in the photovoltaic application. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 85–95
Structural transformation from shish‐kebab crystals to micro‐fibrils through hot stretching process of gel‐spun ultra‐high molecular weight polyethylene fibers with high concentration solution
Authors: An Minfang , Lv You , Yao Guibin , Zhang Li , Wang Zongbao
Published: October 2017

Structural evolution of gel‐spun ultra‐high molecular weight polyethylene fibers with high concentration solution via hot stretching process was investigated by in situ small‐angle X‐ray scattering, in situ wide‐angle X‐ray diffraction measurements, scanning electron microscopy, and differential scanning calorimetry. With the increase of stretching strain, the long period continuously increases at relative lower stretching temperature, while it first increases and then decreases rapidly at relative higher stretching temperature. The kebab thickness almost keeps constant during the whole hot‐stretching process and the kebab diameter continually decreases for all stretching temperatures. Moreover, the length of shish decreases slightly and the shish quantity increases although there is almost no change in the diameter of shish crystals during the hot stretching process. The degree of crystal orientation at different temperatures is as high as above 0.9 during the whole stretching process. These results indicate that the shish‐kebab crystals in ultra‐high molecular weight polyethylene fibers can transform continuously into the micro‐fibril structure composed mostly of shish crystals through the hot stretching process. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 225–238
Disruptions in the crystallinity of poly(lauryl methacrylate) due to adsorption on silica
Authors: Arua Ugo N. , Blum Frank D.
Published: October 2017

The effects of adsorption of poly(lauryl methacrylate) (PLMA), a side‐chain crystalline polymer, on silica were investigated. Fourier transform infrared spectroscopy and differential scanning calorimetry (DSC) measurements were made on both bulk and adsorbed PLMA. The reversible heat flow rates were observed as a function of temperature and the degree of crystallinity of the samples determined based on the broad melting transitions of the side chains in the surface samples. It was found that adsorption caused a disruption of the side‐chain crystallinity primarily in the tightly bound layer of the polymer, but did not significantly affect its glass transition temperature. A change in the packing of the hydrophobic side chains, as a result of adsorption, was also observed for the tightly adsorbed polymer. These results indicated that PLMA side chains in proximity to the silica surface have different properties from those in bulk PLMA. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 89–96
Social constraints and psychological well‐being after prostate cancer: A follow‐up at 12 and 24 months after surgery
Authors: Stinesen Kollberg Karin , Thorsteinsdottir Thordis , Wilderäng Ulrica , Hugosson Jonas , Wiklund Peter , Bjartell Anders , Carlsson Stefan , Stranne Johan , Haglind Eva , Steineck Gunnar
Published: October 2017

Objective

Studies indicate that social constraints (barriers to emotional expression) may be a risk factor for psychological morbidity. We aimed to investigate the association between prostate cancer–related social constraints and psychological well‐being following prostate cancer surgery.

Methods

In a group of 3478 partnered patients, participating in the Laparoscopic Prostatectomy Robot Open trial, a prospective multicenter comparative study of robot‐assisted laparoscopic and retropubic radical prostatectomy for prostate cancer, we used log‐binomial regression analysis to investigate the links between prostate cancer–related social constraints at 3 months after surgery and psychological well‐being at 12 and 24 months.

Results

A total of 1086 and 1093 men reported low well‐being at 12 and 24 months, respectively. Prostate cancer‐related social constraints by partner predicted low psychological well‐being at 12 months (adjusted RR: 1.4; 95% CI, 1.1‐1.9) and by others (adjusted RR: 1.9; 95% CI, 1.1‐3.5). Intrusive thoughts mediated the association.

Conclusions

Negative responses from the social environment, especially from partner to talking about the prostate cancer experience affected patients' psychological well‐being 2 years after radical prostatectomy. Results emphasize the importance of helping patients mobilize psychosocial resources within their social network, especially among those with a lack of quality psychosocial support.
Site‐directed fluorescence labeling of intrinsically disordered region of human transcription factor YY1: The inhibitory effect of zinc ions
Authors: Górka Adam Kazimierz , Górecki Andrzej , Dziedzicka‐Wasylewska Marta
Published: October 2017

Site‐specific labeling of proteins with fluorescent dyes allows the study of protein structure and function using a wide variety of fluorescent techniques. However, specific labeling is not trivial in the case of proteins containing multiple cysteine residues. An example of such a protein is transcription factor Yin Yang 1, which comprises eight cysteine residues in four C2H2 type zinc fingers in the C‐terminal region. Kinetic measurements of the labeling process allowed us to develop preparative labeling of three cysteine residues differently introduced to the N‐terminal, disordered fragment of the protein. The protocol developed in the present study allows to prepare the protein with high recovery yield and high selectivity of the labeling. This was confirmed using proteolytic digestion and spectroscopic approach. The labeling process was significantly affected by the presence of zinc ions and was dependent on the localization of the engineered cysteine residue. This is the first known example of the use of cysteine metal protection and labeling (CyMPL) technology for the labeling of protein regions with no stable secondary structures.
Molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis on selectivity difference between FKBP51 and FKBP52: Insight into the molecular mechanism of isoform selectivity
Authors: Shi Danfeng , Bai Qifeng , Zhou Shuangyan , Liu Xuewei , Liu Huanxiang , Yao Xiaojun
Published: October 2017

As co‐chaperones of the 90‐kDa heat shock protein(HSP90), FK506 binding protein 51 (FKBP51) and FK506 binding protein 52 (FKBP52) modulate the maturation of steroid hormone receptor through their specific FK1 domains (FKBP12‐like domain 1). The inhibitors targeting FK1 domains are potential therapies for endocrine‐related physiological disorders. However, the structural conservation of the FK1 domains between FKBP51 and FKBP52 make it difficult to obtain satisfactory selectivity in FK506‐based drug design. Fortunately, a series of iFit ligands synthesized by Hausch et al exhibited excellent selectivity for FKBP51, providing new opportunity for design selective inhibitors. We performed molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis to reveal selective mechanism for the inhibitor iFit4 binding with FKBP51 and FKBP52. The conformational stability evaluation of the “Phe67‐in” and “Phe67‐out” states implies that FKBP51 and FKBP52 have different preferences for “Phe67‐in” and “Phe67‐out” states, which we suggest as the determinant factor for the selectivity for FKBP51. The binding free energy calculations demonstrate that nonpolar interaction is favorable for the inhibitors binding, while the polar interaction and entropy contribution are adverse for the inhibitors binding. According to the results from binding free energy decomposition, the electrostatic difference of residue 85 causes the most significant thermodynamics effects on the binding of iFit4 to FKBP51 and FKBP52. Furthermore, the importance of substructure units on iFit4 were further evaluated by unbinding pathway analysis and residue‐residue contact analysis between iFit4 and the proteins. The results will provide new clues for the design of selective inhibitors for FKBP51.
Novel bisthioether derivatives containing a 1,3,4‐oxadiazole moiety: design, synthesis, antibacterial and nematocidal activities
Authors: Li Pei , Tian Pingyi , Chen Yongzhong , Song Xianpeng , Xue Wei , Jin Linhong , Hu Deyu , Yang Song , Song Baoan
Published: October 2017

BACKGROUND

The literature shows that bisthioether and 1,3,4‐oxadiazole derivatives exhibit a wide variety of biological activities. In this study, a series of novel bisthioether derivatives containing a 1,3,4‐oxadiazole moiety were synthesized and their antibacterial and nematocidal activities investigated.

RESULTS

Among the title compounds evaluated, compound 4f demonstrated the best antibacterial activities against rice bacterial leaf blight, rice bacterial leaf streak and citrus canker caused by Xanthomonas oryzae pv. oryzae (Xoo), Xanthomonas oryzae pv. oryzicola (Xoc) and Xanthomonas axonopodis pv. citri (Xac), with EC50 values of 4.82, 11.15 and 16.57 µg mL–1, respectively, which were even better than those of thiodiazole copper and bismerthiazol. Meanwhile, compound 4f had better in vitro nematocidal activity against Caenorhabditis elegans at 48 h, with an LC50 value of 2.89 µg mL–1, which was superior to those of ethoprophos and fosthiazate. In addition, greenhouse trials indicated that compound 4f was effective in reducing rice bacterial leaf blight relative to thiodiazole copper and bismerthiazol.

CONCLUSION

A series of novel bisthioether derivatives containing a 1,3,4‐oxadiazole moiety were synthesized and bioassay results showed that compound 4f exhibited the best antibacterial and nematocidal activities. © 2017 Society of Chemical Industry
Influence of lipophilicity in O‐acyl and O‐alkyl derivatives of juglone and lawsone: a structure–activity relationship study in the search for natural herbicide models
Authors: Durán Alexandra G , Chinchilla Nuria , Molinillo José MG , Macías Francisco A
Published: October 2017

BACKGROUND

Naphthoquinones are known for their broad range of biological activities. Given the increasing demands of consumers in relation to food quality and growing concerns about the impact of synthetic herbicides, it is necessary to search for new agrochemicals. Natural products and allelopathy provide new alternatives for the development of pesticides with lower toxicity and greater environmental compatibility.

RESULTS

A structure–activity relationship to evaluate the effect of bioavailability was performed. A total of 44 O‐acyl and O‐alkyl derivatives of juglone and lawsone with different linear chain lengths were prepared. These compounds were tested on etiolated wheat coleoptiles, standard target species (STS) and four weeds, Echinochloa crus‐galli L., Lolium rigidum Gaud., Lolium perenne L. and Avena fatua L. The results showed a strong influence of lipophilicity and, in most cases, the data fitted a logP‐dependent quadratic mathematical model.

CONCLUSION

The effects produced were mostly stunting and necrosis caused by growth inhibition. The potential structure and activity behaviour is described. © 2017 Society of Chemical Industry
Polarizability of negatively charged helium‐like ions interacting with Coulomb and screened Coulomb potentials
Authors: Kar Sabyasachi , Wang Yu‐Shu , Wang Yang , Ho Yew Kam
Published: October 2017

The dipole and quadrupole polarizabilities (both static and dynamic) of negatively charged helium‐like ions are investigated. The mass dependence of the polarizability is studied by changing the mass of the positively charged particle from one unit of electron mass to infinitely heavy. The calculations are carried out in the framework of the pseudostate summation method using exponential correlated wave functions having pseudorandomly generated nonlinear variational parameters. The dipole and quadrupole polarizabilities in terms of frequency and nuclear mass are reported for the first time. The effect of screened Coulomb potentials on the polarizabilities of D–, T–, 1H–,Pi–, Mu–, and Ps– are also presented.
Upconversion Nanocarriers Encapsulated with Photoactivatable Ru Complexes for Near‐Infrared Light‐Regulated Enzyme Activity
Authors: Chen Zhijun , Thiramanas Raweewan , Schwendy Mischa , Xie Chaoming , Parekh Sapun H. , Mailänder Volker , Wu Si
Published: October 2017

Enzyme activity is important for metabolism, cell functions, and treating diseases. However, remote control of enzyme activity in deep tissue remains a challenge. This study demonstrates near‐infrared (NIR) light‐regulated enzyme activity in living cells based on upconverting nanoparticles (UCNPs) and a photoactivatable Ru complex. The Ru complex is a caged enzyme inhibitor that can be activated by blue light. To prepare a nanocarrier for NIR photoinhibition of enzyme activity, a UCNP and the caged enzyme inhibitors are encapsulated in a hollow mesoporous silica nanoparticle. In such a nanocarrier, the UCNP can harvest NIR light and convert it into blue light, which can activate the caged enzyme inhibitors. This photoactivation process is feasible in deep tissue because of the tissue penetration ability of NIR light. The nanocarrier is compatible to LNCaP, PC3, and SAOS‐2 cells, which show high enzyme expression. NIR irradiation induces release of the inhibitors and inhibition of enzyme activity in living cells. NIR light provides high spatiotemporal resolution to regulate enzyme activity in deep tissue.
Directed Assembly of Gold Nanorods by Terminal‐Base Pairing of Surface‐Grafted DNA
Authors: Wang Guoqing , Akiyama Yoshitsugu , Kanayama Naoki , Takarada Tohru , Maeda Mizuo
Published: October 2017

Directed assemblies of anisotropic metal nanoparticles exhibit attractive physical and chemical properties. However, an effective methodology to prepare differently directed assemblies from the same anisotropic nanoparticles is not yet available. Gold nanorods (AuNRs) region‐selectively modified with different DNA strands can form side‐by‐side (SBS) and end‐to‐end (ETE) assemblies in a non‐crosslinking manner. When the complementary DNA is hybridized to the surface‐bound DNA, stacking interaction between the blunt ends takes place in the designated regions. Such AuNRs assemble into highly ordered structures, assisted by capillary forces emerging on the substrate surface. Moreover, insertion of a mercury(II)‐mediated thymine–thymine base pair into the periphery of the DNA layer allows selective formation of the SBS or ETE assemblies from the strictly identical AuNRs with or without mercury(II).
Software quality model for a research‐driven organization—An experience report
Authors: Wolski Marcin , Walter Bartosz , Kupiński Szymon , Chojnacki Jakub
Published: October 2017

In the paper, we present a measurement framework for evaluating quality in software products developed within the research and innovation framework project GÉANT. The proposed framework is based on the quality models by Boehm and McCall, but also addresses the presence and point of view of a third stakeholder: an external funding agency (EU), which has started and is temporally financing the project, but aims at making it self‐financing in the future. We also provide results of evaluation of 2 projects from the GÉANT ecosystem and one open‐source system with this framework.
Li4Ti5O12 Anode: Structural Design from Material to Electrode and the Construction of Energy Storage Devices
Authors: Chen Zhijie , Li Honsen , Wu Langyuan , Lu Xiaoxia , Zhang Xiaogang
Published: October 2017

Spinel Li4Ti5O12, known as a zero‐strain material, is capable to be a competent anode material for promising applications in state‐of‐art electrochemical energy storage devices (EESDs). Compared with commercial graphite, spinel Li4Ti5O12 offers a high operating potential of ∼1.55 V vs Li/Li+, negligible volume expansion during Li+ intercalation process and excellent thermal stability, leading to high safety and favorable cyclability. Despite the merits of Li4Ti5O12 been presented, there still remains the issue of Li4Ti5O12 suffering from poor electronic conductivity, manifesting disadvantageous rate performance. Typically, a material modification process of Li4Ti5O12 will be proposed to overcome such an issue. However, the previous reports have made few investigations and achievements to analyze the subsequent processes after a material modification process. In this review, we attempt to put considerable interest in complete device design and assembly process with its material structure design (or modification process), electrode structure design and device construction design. Moreover, we have systematically concluded a series of representative design schemes, which can be divided into three major categories involving: (1) nanostructures design, conductive material coating process and doping process on material level; (2) self‐supporting or flexible electrode structure design on electrode level; (3) rational assembling of lithium ion full cell or lithium ion capacitor on device level. We believe that these rational designs can give an advanced performance for Li4Ti5O12‐based energy storage device and deliver a deep inspiration.
Hearing crosstalk: the molecular conversation orchestrating inner ear dorsoventral patterning
Authors: Ohta Sho , Schoenwolf Gary C.
Published: October 2017

The inner ear is a structurally and functionally complex organ that functions in balance and hearing. It originates during neurulation as a localized thickened region of rostral ectoderm termed the otic placode, which lies adjacent to the developing caudal hindbrain. Shortly after the otic placode forms, it invaginates to delineate the otic cup, which quickly pinches off of the surface ectoderm to form a hollow spherical vesicle called the otocyst; the latter gives rise dorsally to inner ear vestibular components and ventrally to its auditory component. Morphogenesis of the otocyst is regulated by secreted proteins, such as WNTs, BMPs, and SHH, which determine its dorsoventral polarity to define vestibular and cochlear structures and sensory and nonsensory cell fates. In this review, we focus on the crosstalk that occurs among three families of secreted molecules to progressively polarize and pattern the developing otocyst. WIREs Dev Biol 2018, 7:e302. doi: 10.1002/wdev.302

This article is categorized under:

Establishment of Spatial and Temporal Patterns > Gradients

Signaling Pathways > Cell Fate Signaling

Vertebrate Organogenesis > From a Tubular Primordium: Non‐Branched
Extended Serum Lipid Profile Predicting Long‐Term Survival in Patients Treated for Abdominal Aortic Aneurysms
Authors: Khan Niina , Lyytikäinen Leo‐Pekka , Khan Jahangir , Seppälä Ilkka , Lehtomäki Antti , Kuorilehto Tommi , Suominen Velipekka , Lehtimäki Terho , Oksala Niku
Published: October 2017

Background

Individuals treated for abdominal aortic aneurysms (AAAs) are high‐risk patients in whom better risk prediction could improve survival. Contemporary serum lipid parameters, such as apolipoproteins and lipoprotein subfractions, may improve or complement the prognostic value of traditional serum lipids. The aim of this study was to ascertain the extended serum lipid profiles, long‐term prognosis and their association in AAA patients.

Methods

Altogether 498 patients treated for AAAs and with available serum lipid values were retrospectively analysed. Contemporary lipid parameters were estimated using a neural network model, the extended Friedewald formula.

Results

Younger age, smoking and urgent or emergency surgery were associated with an unfavourable, and coronary disease and previous stroke with a favourable lipid profile. In multivariable analysis—in addition to advanced age, aneurysm rupture, smoking, pulmonary disease and diabetes—high triglycerides and traditional LDL cholesterol were significant independent risk factors for mortality, HR 1.84 (95% CI 1.20–2.81) and 1.79 (95% CI 1.18–2.73), respectively, while higher EFW‐IDL cholesterol was associated with better survival, HR 0.31 (95% CI 0.19–0.65). Including serum lipid parameters improved the prediction of 5‐year survival (NRI = 17.7%, p = 0.016).

Conclusions

Extended serum lipid parameters complement risk prediction of patients treated for AAAs. An unfavourable lipid profile is associated with treatment of AAA earlier in life and with inferior long‐term survival.
Therapeutic potential of HIV nosode 30c as evaluated in A549 lung cancer cells
Authors: Mondal Jesmin , Shah Rajesh , Khuda-Bukhsh Anisur Rahman
Published: October 2017

Objectives: To examine if HIV nosode in 30c dilution (HIV 30c) has therapeutic potential against lung cancer cells (A549) as compared to WRL-68 normal cells and to elucidate its possible molecular mechanism of action on DNA replication and apoptosis.

Methods: Effects of HIV 30c were thoroughly tested for its possible anticancer potential on A549 cells (lung cancer); WRL-68 normal liver cells served as control. Three doses, one at LD50 and two below LD-50, were used. Proliferation, migration and senescence assays were made and generation of reactive oxygen species (ROS) studied by routine techniques. The ability of HIV 30c to induce apoptosis in A549 cells and its possible signalling pathway were determined using immunoblots of relevant signal proteins and confocal microscopy, including studies on telomerase reverse transcriptase (TERT) and topoisomerase II (Top II) activities, intimately associated with cell division and DNA replication.

Results: HIV 30c prevented cancer cell proliferation and migration, induced pre-mature senescence, enhanced pro-apoptotic signal proteins like p53, bax, cytochrome c, caspase-3 and inhibited anti-apoptotic signal proteins Bcl2, TERT and Top II, changed mitochondrial membrane potential and caused externalization of phosphatidyl serine. Thus, it induced apoptosis as also evidenced from increase in cells with distorted membrane morphology, nuclear condensation, DNA fragmentation, and ROS, typical of apoptosis in progress.

Conclusion: HIV 30c nosode has therapeutic potential for inducing cytotoxic effects on A549 cells as manifested by changes in nuclear condensation, DNA fragmentation, ROS generation and MMP, and for its inhibitory action on cell proliferation, cell migration, expression of telomerase reverse transcriptase and Top II genes, and increasing expression of pro-apoptotic genes.
Modification of standard laparoscopic total extra peritoneal hernia repair technique: Methods to improve feasibility in the UK health service
Authors: Hanif Zulfiqar , Sajid Mohammad Ahmed , Pandya Rishi , Shanmugarajah Kumaran , Mahmud Sajid
Published: October 2017

Laparoscopic Hernia repair is a commonly performed procedure with inguinal hernias affecting 27% of males and 3% of females during their lifetime. Hernia repairs have a significant implication for the health service in the UK. Current guidance advocates bilateral or recurrent hernias should be treated where possible laparoscopically and offered also offered to patients with primary unilateral hernias. With the technique being more expensive than open repair, we promote the utilization of a modified technique which significantly reduces equipment costs making it more attractive and viable.

The aim of this study was to compare the true costs for day case laparoscopic total extraperitoneal (TEP) hernia repair using a technique which minimizes the utilization of disposable equipment and relatively expensive materials with that in which the use of such equipment and material was routine. We quantify the savings that can be made to hospitals by implementing this modification.

Highlights
Syncope in patients with inherited arrhythmias
Authors: Nakano Yukiko , Wataru Shimizu
Published: October 2017

Syncope, a common symptom of cerebral ischemia often shows a multifactorial etiopathogenesis. Although inherited arrhythmias causing syncope is uncommon, such an occurrence could be a warning sign preceding cardiac arrest. Long QT syndrome (LQTS) is a typical inherited arrhythmia causing syncope in children. Early diagnosis and treatment of LQTS using beta‐blockers prevents recurrent syncope in LQTS. Brugada syndrome, another typical inherited arrhythmia causes syncope or sudden cardiac arrest in young individuals. Syncope as a symptom is useful for risk stratification of fatal arrhythmias and in selection of appropriate therapy. Catecholaminergic polymorphic ventricular tachycardia, another rare inherited arrhythmia causing recurrent syncope is associated with poor outcomes without medication. Early detection and therapeutic intervention improve prognosis; thus, correct diagnosis of syncope is imperative in cases of these inherited arrhythmias. We describe syncope associated with three typical inherited arrhythmias and discuss various diagnostic modalities.
Comparing democratic performance of semi-presidential regimes in the post-communist region: Omnipotent presidents and media control
Authors: Yan Huang-Ting
Published: October 2017

The article attempts to identify common explanatory factors and internal causal mechanisms behind the poor democratic performance of post-communist semi-presidential regimes. It attributes poor democratic performance to constitutionally powerful presidents supported by single-party-majority cabinets. Under this situation, omnipotent presidents enact media-related law unhindered, tightly regulate the media, prevent the opposition from disseminating election information, and thus increase the ruling party’s probability of winning elections. Through quantitative analysis and comparative case studies of Azerbaijan and Kazakhstan, this paper verifies the convergent pathway from powerful presidents’ media control to poor democratic performance. In conclusion, powerful post-communist presidents endanger democracy via media control.
FIRE AND ITS ASIAN WORSHIPPERS: A NOTE ON FIRMICUS MATERNUS’DE ERRORE PROFANARVM RELIGIONVM5.1
Authors: Mancini Alessio , Mari Tommaso
Published: October 2017

Persae et Magi omnes qui Persicae regionis incolunt fines ignem praeferunt et omnibus elementis ignem putant debere praeponi. (Firm. Mat.Err. prof. rel.5.1)

The Persians and all the Magi who dwell in the confines of the Persian land give their preference to fire and think it ought to be ranked above all the other elements.

Iulius Firmicus Maternus was a Latin writer who lived in the fourth centurya.d. In the 340s, following his conversion to Christianity, he wrote theDe errore profanarum religionum, which has been preserved only in the tenth-century manuscript Vaticanus Palatinus Latinus 165. In this work he argues against the pagan cults, calling for the emperors to suppress them. The first sections are dedicated to the pagan worship of the natural elements: objects of a cult are water among the Egyptians, earth among the Phrygians, air among the Assyrians. The chapter we are dealing with, the fifth, is dedicated to fire, a central element of the Zoroastrian religion. Greek and Roman writers, pagans and Christians alike, were aware of this, and references to some sort of fire-cult among Persians are numerous in literature and are found as early as Herodotus (1.131, 3.16). Just like Firmicus Maternus, some authors also state that the Magi worship fire as a god or divine element and that they conduct fire-related rituals. In Greek and Latin authors there is a view that the Magi, these specialists of the rituals of the Persian religion, were originally a Median tribe. As shown by the passages of Ammianus and Basil, such knowledge was also available to Firmicus Maternus’ contemporaries, and there do not appear to be particular differences in the way in which Greek and Latin authors viewed the Magi in Achaemenid and Sassanid times. Regrettably, one cannot know for certain which of these sources Firmicus Maternus knew.
On non-local energy transfer via zonal flow in the Dimits shift
Authors: St-Onge Denis A.
Published: October 2017

The two-dimensional Terry–Horton equation is shown to exhibit the Dimits shift when suitably modified to capture both the nonlinear enhancement of zonal/drift-wave interactions and the existence of residual Rosenbluth–Hinton states. This phenomenon persists through numerous simplifications of the equation, including a quasilinear approximation as well as a four-mode truncation. It is shown that the use of an appropriate adiabatic electron response, for which the electrons are not affected by the flux-averaged potential, results in an $\boldsymbol{E}\times \boldsymbol{B}$ nonlinearity that can efficiently transfer energy non-locally to length scales of the order of the sound radius. The size of the shift for the nonlinear system is heuristically calculated and found to be in excellent agreement with numerical solutions. The existence of the Dimits shift for this system is then understood as an ability of the unstable primary modes to efficiently couple to stable modes at smaller scales, and the shift ends when these stable modes eventually destabilize as the density gradient is increased. This non-local mechanism of energy transfer is argued to be generically important even for more physically complete systems.