bluuebunny/crossref_metadata_2025 huggingface dataset:
Finite analytic method for 2D steady fluid flows in heterogeneous porous media with unstructured grids
Authors: Wang Guan‐Wen , Liu Zhi‐Feng , Wang Xiao‐Hong
Published: August 2017

The finite analytic method (FAM) is developed to solve the 2D steady fluid flows in heterogeneous porous media with full tensor permeability on unstructured grids. The proposed FAM is constructed based upon the power‐law analytic nodal solution in the angular domain with arbitrary shape. When approaching the grid node joining the subdomains, 3 different flow patterns may exist: power‐law flow, linear flow, or the stagnant flow. Based on the nodal analytic solution, the triangle‐based FAM is proposed. Numerical examples show that the proposed numerical scheme makes the convergences much quickly than the traditional methods, typically the weighted harmonic mean method under the cell refinement. In practical applications, the grid refinement parameter n = 2 or n = 3 is recommended, and the relative error of the calculated equivalent permeability will below 4% independent of the heterogeneity. In contrast, when using the traditional numerical scheme the refinement ratio for the grid cell needs to increase dramatically to get an accurate result, especially for strong heterogeneous porous medium.
Partial Sleep Deprivation Reduces the Efficacy of Orexin‐A to Stimulate Physical Activity and Energy Expenditure
Authors: DePorter Danielle P. , Coborn Jamie E. , Teske Jennifer A.
Published: August 2017

Objective

Sufficient sleep is required for weight maintenance. Sleep deprivation due to noise exposure stimulates weight gain by increasing hyperphagia and reducing energy expenditure (EE). Yet the mechanistic basis underlying the weight gain response is unclear. Orexin‐A promotes arousal and negative energy balance, and orexin terminals project to the ventrolateral preoptic area (VLPO), which is involved in sleep‐to‐wake transitions. To determine whether sleep deprivation reduces orexin function in VLPO and to test the hypothesis that sleep deprivation would attenuate the orexin‐A‐stimulated increase in arousal, physical activity (PA), and EE.

Methods

Electroencephalogram, electromyogram, distance traveled, and EE were determined in male Sprague‐Dawley rats following orexin‐A injections into VLPO both before and after acute (12‐h) and chronic (8 h/d, 9 d) sleep deprivation by noise exposure.

Results

Orexin‐A in the VLPO significantly increased arousal, PA, total EE, and PA‐related EE and reduced sleep and respiratory quotient before sleep deprivation. In contrast to after acute sleep deprivation in which orexin‐A failed to stimulate EE during PA only, orexin‐A failed to significantly increase arousal, PA, fat oxidation, total EE, and PA‐related EE after chronic sleep deprivation.

Conclusions

Sleep deprivation may reduce sensitivity to endogenous stimuli that enhance EE due to PA and thus stimulate weight gain.
Tannins and Their Complex Interaction with Different Organic Nitrogen Compounds and Enzymes: Old Paradigms versus Recent Advances
Authors: Adamczyk Bartosz , Simon Judy , Kitunen Veikko , Adamczyk Sylwia , Smolander Aino
Published: August 2017

Tannins, an abundant group of plant secondary compounds, raise interest in different fields of science, owing to their unique chemical characteristics. In chemical ecology, tannins play a crucial role in plant defense against pathogens, herbivores, and changing environmental conditions. In the food industry and in medicine, tannins are important because of their proven positive effect on human health and disease treatment. Such wide interests fueled studies on tannin chemistry, especially on their flagship ability to precipitate proteins. In this Review, we expand the basic knowledge on tannin chemistry to the newest insights from the field. We focus especially on tannin reactions with different non‐protein organic N compounds, as well as the complex interactions of tannins with enzymes, resulting in either an increase or decrease in enzyme activity.
A 3D tri‐culture system reveals that activin receptor‐like kinase 5 and connective tissue growth factor drive human glomerulosclerosis
Authors: Waters John P , Richards Yvonne C , Skepper Jeremy N , Southwood Mark , Upton Paul D , Morrell Nicholas W , Pober Jordan S , Bradley John R
Published: August 2017

Glomerular scarring, known as glomerulosclerosis, occurs in many chronic kidney diseases and involves interaction between glomerular endothelial cells (GECs), podocytes, and mesangial cells (MCs), leading to signals that promote extracellular matrix deposition and endothelial cell dysfunction and loss. We describe a 3D tri‐culture system to model human glomerulosclerosis. In 3D monoculture, each cell type alters its phenotype in response to TGFβ, which has been implicated as an important mediator of glomerulosclerosis. GECs form a lumenized vascular network, which regresses in response to TGFβ. MCs respond to TGFβ by forming glomerulosclerotic‐like nodules with matrix deposition. TGFβ treatment of podocytes does not alter cell morphology but increases connective tissue growth factor (CTGF) expression. BMP7 prevents TGFβ‐induced GEC network regression, whereas TGFβ‐induced MC nodule formation is prevented by SMAD3 siRNA knockdown or ALK5 inhibitors but not BMP7, and increased phospho‐SMAD3 was observed in human glomerulosclerosis. In 3D tri‐culture, GECs, podocytes, and MCs form a vascular network in which GECs and podocytes interact intimately within a matrix containing MCs. TGFβ treatment induces formation of nodules, but combined inhibition of ALK5 and CTGF is required to prevent TGFβ‐induced nodule formation in tri‐cellular cultures. Identification of therapeutic targets for glomerulosclerosis depends on the 3D culture of all three glomerular cells. Copyright © 2017 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Low percolation threshold and enhanced electrical and dielectric properties of graphite powder/poly (vinyl alcohol) composites
Authors: Bhadra Debabrata
Published: August 2017

Polyvinyl alcohol (PVA) composites with a conductive filler, graphite powder (GP) were prepared by solution casting process. GP remains well dispersed in the PVA composites as evidenced by the lack of the characteristic graphite reflection in the composites. SEM imaging show smooth fractured surfaces with graphite stacks and obvious debonding from the matrix in the GP/PVA composites. The dielectric dispersion and AC conductivity of the composite system exhibited a strong frequency dependence particularly in the vicinity of percolation threshold (fc ∼ 6 wt% = 2.65 vol%). A 150 times increase of dielectric permittivity and seven orders of magnitude higher conductivity were obtained by adding 2.65 vol% graphite powder in PVA indicating the efficient loading between the graphite and the matrix at percolation threshold which is well above the percolation threshold (fc = 0.41 vol%) for PVA/GOnP composites. Moreover, the dielectric properties were measured at about 30°C and 1 kHz. The values of permittivity and dielectric loss were found to increase with increasing graphite content. The percolative composites exhibit very low dielectric loss and leakage current density. Such GP/PVA flexible composites in tailored form might be important for many printing circuit board and capacitor applications in the age of device miniaturization. POLYM. COMPOS., 39:4400–4407, 2018. © 2017 Society of Plastics Engineers
Risk of preeclampsia after gestational exposure to selective serotonin reuptake inhibitors and other antidepressants: A study from The Norwegian Mother and Child Cohort Study
Authors: Lupattelli Angela , Wood Mollie , Lapane Kate , Spigset Olav , Nordeng Hedvig
Published: August 2017

Purpose

To describe the risk of early‐ and late‐onset preeclampsia across pregnancies exposed to antidepressants and to evaluate the impact of timing and length of gestational exposure to antidepressants, particularly selective serotonin reuptake inhibitors (SSRIs), on preeclampsia.

Methods

The Norwegian Mother and Child Cohort, a prospective population‐based study, and the Medical Birth Registry of Norway provided information on antidepressant exposure, depression, and anxiety symptoms in pregnancy, preeclampsia diagnoses, and important covariates. Within a pregnancy cohort of depressed women, we compared the risk of late‐onset preeclampsia between SSRI‐exposed and nonmedicated pregnancies using marginal structural models (weighted) and modified Poisson regression models.

Results

Of the 5887 pregnancies included, 11.1% were exposed at any time before week 34 to SSRIs, 1.3% to serotonin‐norepinephrine reuptake inhibitors, 0.4% to tricyclic antidepressants, and 0.5% to other antidepressants. The risks of early‐ and late‐onset preeclampsia by exposure status in pregnancy were 0.3% and 3.6% (nonmedicated), 0.4% and 3.7% (SSRIs), 1.5% and 4.1% (serotonin‐norepinephrine reuptake inhibitors), and 7.1% and 10.0% (tricyclic antidepressants). Compared with nonmedicated pregnancies, SSRI‐exposed in mid and late gestation had adjusted relative risks for late‐onset mild preeclampsia of 0.76 (95% confidence interval, 0.38‐1.53) and 1.56 (0.71‐3.44) (weighted models), respectively. There was no association between SSRI exposure in pregnancy and severe late‐onset preeclampsia.

Conclusions

We have provided evidence that SSRI use in early and midpregnancy does not substantially increase the risk of late‐onset preeclampsia.
Characterization of opioid use in sickle cell disease
Authors: Han Jin , Zhou Jifang , Saraf Santosh L. , Gordeuk Victor R. , Calip Gregory S.
Published: August 2017

Purpose

Opioid analgesics are commonly used to treat vaso‐occlusive pain episodes in sickle cell disease (SCD), but comprehensive evidence characterizing opioid use in this patient population is limited. Our objective was to characterize opioid use patterns among SCD patients using a large nationwide database.

Methods

A large, US medical claims database was utilized to identify a cohort of 3882 SCD patients, and characteristics of opioid use were analyzed. Clinical variables including age, gender, medication use, health care utilization, and medical history were evaluated for correlations with opioid use.

Results

Forty percent of patients took opioid medications during a 12‐month span, and the prevalence of any opioid use was highest for 20 to 29‐year‐old patients (58%). The median daily opioid dose was 1.85 mg (interquartile range: 0.62–10.68 mg) oral morphine equivalents (OME). While most opioid users took between 0 and 5 mg OME daily, 3% of pediatric patients and 23% of adult patients used more than 30‐mg OME daily. High‐dose opioid use was associated with older age, hydroxyurea therapy, nonsteroidal anti‐inflammatory drug (NSAID) use, and frequent inpatient hospitalizations. In multivariable‐adjusted analyses, patients with vaso‐occlusive complications such as pain crisis (OR = 3.8, 95% CI 2.7–5.3) and avascular necrosis (AVN) (OR = 3.7, 95% CI 2.7–5.1) were associated with high‐dose opioid use.

Conclusions

Our study showed that only 40% SCD patients were on opioid analgesics during a 12‐month span. However, a non‐trivial number of patients used a much higher dose of opioids despite a relatively low average daily opioid dose among SCD patients, particularly with vaso‐occlusive complications.
Enhancement on ultimate tensile properties of ultrahigh molecular weight polyethylene composite fibers filled with activated nanocarbon particles with varying specific surface areas
Authors: Fan Wang‐Xi , Ding Yi , Tu Zhong‐Dan , Huang Kuo‐Shien , Huang Chao‐Ming , Yeh Jen‐Taut
Published: August 2017

This investigation aims to improve the ultradrawing and ultimate tensile properties of ultrahigh molecular weight polyethylene (UHMWPE) fibers by incorporating small amounts of functionalized activated nanocarbon particles with a wide range of specific surface areas (ca. 100–1,400 m2/g) during gel spinning processes of UHMWPE fibers. The ultradrawing, ultimate tensile, orientation properties, and “microfibril” characteristics of UHMWPE/functionalized activated nanocarbon fibers was discovered to improve considerably with the increase in specific surface areas of functionalized activated nanocarbon. An extraordinary high ultimate tensile strength at 95.8 g/d was obtained for the best prepared UHMWPE/functionalized activated nanocarbon drawn fiber. This value is the highest value ever reported for one‐stage drawn UHMWPE fibers and is about 2.9 times that of the UHMWPE drawn fiber prepared in this study. In addition to thermal, ultimate tensile, and orientation factor properties of as‐prepared and/or drawn UHMWPE/functionalized activated nanocarbon fibers, specific surface area, Fourier transform infrared, and morphological analyses of original and functionalized activated nanocarbons were performed to comprehend the considerably improved ultradrawing, ultimate tensile properties, and microfibril characteristics of the UHMWPE/functionalized activated nanocarbon fibers. POLYM. ENG. SCI., 58:980–990, 2018. © 2017 Society of Plastics Engineers
Fabrication of polyimide hollow fiber membrane with well‐defined adsorption channels and binding sites for organics separation
Authors: Lin Ligang , Sun Hui , Cheng Qi , Huang Kai , He Zhifu , Zheng Tiantian , Zhang Yuzhong
Published: August 2017

Significant attention has been focused in developing polymeric membranes with special separation function. Disclosed herein is the design of a solvent resistant hollow fiber membrane with multi architectures including self‐supported passageway, three‐dimensional adsorption channels, and binding sites for organics sulfur. A new strategy has been proposed for high‐performance polyimide hollow fiber membranes by tuning the imidization behavior. The evolution of structure and performance with the proposed imidization routes has been investigated based on detailed analysis of FT‐IR, TGA, and mechanical properties. The results show that the functional zeolites are incorporated into three‐dimensional polyimide matrix. The well‐defined transport channels at micrometer scale in membrane provide high‐efficiency working space. The effective binding behavior of designed hollow fiber membrane chromatography for organic sulfur compounds has been confirmed by the comparative analysis on dynamic breakthrough curves. The related discussions have some general suggestions in promoting the new application of membrane chromatography for the quick separation and purification of sulfur, and present a potential alternative for the production of sulfur‐free hydrogen source for fuel cell applications. POLYM. ENG. SCI., 58:1024–1032, 2018. © 2017 Society of Plastics Engineers
The airway microbiota in early cystic fibrosis lung disease
Authors: Frayman Katherine B. , Armstrong David S. , Grimwood Keith , Ranganathan Sarath C.
Published: August 2017

Infection plays a critical role in the pathogenesis of cystic fibrosis (CF) lung disease. Over the past two decades, the application of molecular and extended culture‐based techniques to microbial analysis has changed our understanding of the lungs in both health and disease. CF lung disease is a polymicrobial disorder, with obligate and facultative anaerobes recovered alongside traditional pathogens in varying proportions, with some differences observed to correlate with disease stage. While healthy lungs are not sterile, differences between the lower airway microbiota of individuals with CF and disease‐controls are already apparent in childhood. Understanding the evolution of the CF airway microbiota, and its relationship with clinical treatments and outcome at each disease stage, will improve our understanding of the pathogenesis of CF lung disease and potentially inform clinical management. This review summarizes current knowledge of the early development of the respiratory microbiota in healthy children and then discusses what is known about the airway microbiota in individuals with CF, including how it evolves over time and where future research priorities lie.
New tools and functions in data‐out activities at Protein Data Bank Japan (PDBj)
Authors: Kinjo Akira R. , Bekker Gert‐Jan , Wako Hiroshi , Endo Shigeru , Tsuchiya Yuko , Sato Hiromu , Nishi Hafumi , Kinoshita Kengo , Suzuki Hirofumi , Kawabata Takeshi , Yokochi Masashi , Iwata Takeshi , Kobayashi Naohiro , Fujiwara Toshimichi , Kurisu Genji , Nakamura Haruki
Published: August 2017

The Protein Data Bank Japan (PDBj), a member of the worldwide Protein Data Bank (wwPDB), accepts and processes the deposited data of experimentally determined biological macromolecular structures. In addition to archiving the PDB data in collaboration with the other wwPDB partners, PDBj also provides a wide range of original and unique services and tools, which are continuously improved and updated. Here, we report the new RDB PDBj Mine 2, the WebGL molecular viewer Molmil, the ProMode‐Elastic server for normal mode analysis, a virtual reality system for the eF‐site protein electrostatic molecular surfaces, the extensions of the Omokage search for molecular shape similarity, and the integration of PDBj and BMRB searches.
Homology modeling in a dynamical world
Authors: Monzon Alexander Miguel , Zea Diego Javier , Marino‐Buslje Cristina , Parisi Gustavo
Published: August 2017

A key concept in template‐based modeling (TBM) is the high correlation between sequence and structural divergence, with the practical consequence that homologous proteins that are similar at the sequence level will also be similar at the structural level. However, conformational diversity of the native state will reduce the correlation between structural and sequence divergence, because structural variation can appear without sequence diversity. In this work, we explore the impact that conformational diversity has on the relationship between structural and sequence divergence. We find that the extent of conformational diversity can be as high as the maximum structural divergence among families. Also, as expected, conformational diversity impairs the well‐established correlation between sequence and structural divergence, which is nosier than previously suggested. However, we found that this noise can be resolved using a priori information coming from the structure‐function relationship. We show that protein families with low conformational diversity show a well‐correlated relationship between sequence and structural divergence, which is severely reduced in proteins with larger conformational diversity. This lack of correlation could impair TBM results in highly dynamical proteins. Finally, we also find that the presence of order/disorder can provide useful beforehand information for better TBM performance.
Functional response and multiple predator effects of two generalist predators preying on Tuta absoluta eggs
Authors: Michaelides Georgios , Sfenthourakis Spyros , Pitsillou Maria , Seraphides Nicos
Published: August 2017

BACKROUND

Interactions among invertebrate predators could affect a pest suppression. The hemipteran species Macrolophus pygmaeus (Rambur) and Nesidiocoris tenuis (Reuter) (Hemiptera: Miridae) are natural enemies of several pests in agroecosystems and coexist in tomato crops in Mediterranean countries. By using the multiplicative risk model (MRM) and the substitutive model, the multiple predator effects (MPEs) on prey suppression were calculated when two individuals of the predators foraged at the same densities on South American tomato pinworm, Tuta absoluta (Meyrick) (Lepidoptera: Gelechiidae), eggs.

RESULTS

Egg consumption increased with increasing egg density and the two predators exhibited a type III functional response. Predation rates were strongly affected by prey density. Using the MRM, we found risk reduction at intraspecific treatments at high prey density. Applying the substitutive model, we detect risk enhancement at interspecific treatments at high egg density.

CONCLUSIONS

At low prey densities, most of the interactions were independent, whereas at high densities most interactions were not independent and resulted in prey risk reduction, indicating antagonism between the individuals involved. We also showed that N. tenuis is a more competitive predator species for T. absoluta eggs than M. pygmaeus; however, combination of the two predator species will lead to better pest suppression at high T. absoluta population densities. © 2017 Society of Chemical Industry
How to identify promising metal scavengers? d‐penicillamine with copper as a study case
Authors: Martínez Ana , Vargas Rubicelia , Galano Annia
Published: August 2017

Therapeutic chelating agents are used to prevent the effects of the metal accumulation. These are molecules that form complexes with transition metals and they are referred here as metal scavengers. The main idea of this investigation is to recognize the most relevant chemical features to identify potential metal scavengers. d‐penicillamine with copper (DPEN‐Cu) is used for this purpose. The first requirement that must be fulfilled by a good metal scavenger is the exergonicity of the chelating reaction. In the DPEN‐Cu case the most likely complexation pathway was found to have ΔG equal to −24.3 kcal/mol. It is desirable that the chelating molecule could also be a free radical scavenger. d‐penicillamine is a good free radical scavenger following the hydrogen atom transfer reaction. An additional advantage is that the DPEN‐Cu may act as •OH‐inactivating ligand. It is proposed that chelating agents fulfilling these requirements may be a promising candidate to be used in metal chelation therapies as metal scavengers.
Proteome characterization of human pancreatic cyst fluid from intraductal papillary mucinous neoplasm by liquid chromatography/tandem mass spectrometry
Authors: Park Joonho , Han Dohyun , Do Misol , Woo Jongmin , Wang Joseph I. , Han Youngmin , Kwon Wooil , Kim Sun‐Whe , Jang Jin‐Young , Kim Youngsoo
Published: August 2017

Rationale

In recent years, the molecular components of pancreatic cyst fluid have been used for diagnosis and prognosis. Because the protein markers that are currently used in clinical tests are unreliable, proteomic studies to find new protein markers are being conducted. However, such researches have been limited due to the complexity of pancreatic cyst fluid and the immaturity of proteomic techniques.

Methods

To overcome these limitations and provide a pancreatic cyst proteome dataset, we examined cyst fluid proteome with tandem mass spectrometry. The proteomic analysis was performed using a Orbitrap‐based mass spectrometer (Q‐Exactive) coupled with a 50‐cm‐long nano‐liquid chromatography column. Protein mutations were identified using mutation sequence database search.

Results

A total of 5850 protein groups were identified from microliters of cyst fluid. Among those, 3934 protein groups were reported for the first time in pancreatic cyst fluid. Although high‐abundance proteins were not depleted in the experiment, our dataset detected almost all pancreatic tumor markers such as mucin family members, S100 proteins, and CEA‐related proteins. In addition, 590 protein mutation marker candidates were discovered.

Conclusions

We provide a comprehensive cyst proteome dataset that includes cystic cellular proteins and mutated proteins. Our findings would serve as a rich resource for further IPMN studies and clinical applications. The MS data have been deposited in the ProteomeXchange with identifier PXD005671 (http://proteomecentral.proteomexchange.org/dataset/PXD005671).
Time‐of‐flight secondary ion mass spectrometry using a new primary ion beam generated by vacuum electrospray of a protic ionic liquid, propylammonium nitrate
Authors: Fujiwara Yukio , Saito Naoaki
Published: August 2017

Rationale

Protic ionic liquids have the potential to be useful materials for primary ion beams in terms of protonation, since they have active protons. Selecting protic ionic liquids suitable for primary ion beams is of great importance to increase molecular secondary ion yields. Propylammonium nitrate ([C3H7NH3][NO3]) seems promising in view of its proton affinity. It is likely that [C3H7NH3]+ cations can act as proton donors, and [NO3]− anions can work as proton acceptors.

Methods

Time‐of‐flight secondary ion mass spectrometry (TOF‐SIMS) experiments have been performed to verify the usefulness of [C3H7NH3][NO3]. A primary propylammonium nitrate cluster ion beam was generated by vacuum electrospray, and then used to analyze amino acids (arginine, glutamic acid, aspartic acid), angiotensin II and polyethylene glycol. Positive and negative secondary ion mass spectra were obtained to study both protonation and deprotonation.

Results

The propylammonium nitrate cluster ion beam successfully generated protonated molecules [M + H]+ of all the analytes in positive ion mode. The primary ion beam also generated deprotonated molecules [M − H]− of glutamic acid, aspartic acid and angiotensin II in negative ion mode. Additionally, adduct ions related to [C3H7NH3][NO3] were detected in the case of arginine and polyethylene glycol.

Conclusions

The TOF‐SIMS experiments confirmed that the propylammonium nitrate cluster ion beam was useful in generating molecular secondary ions, demonstrating that it is well suited for a primary ion beam in TOF‐SIMS.
Mechanochemical Encapsulation of an Aromatic Hydrocarbon into Mesoporous Silica as a Simple Slow Release Formulation
Authors: Reanthonglert Wichayut , Yazawa Risa , Imwiset Kamonnart , Bureekaew Sareeya , Ogawa Makoto
Published: August 2017

The incorporation of para‐dichlorobenzene into mesoporous silica (with the pore diameter of 1.9 ‐ 3.1 nm) was conducted by a mechanochemical reaction, where mesoporous silica powder and para‐dichlorobenzene powder were mixed together using a mortar and a pestle at room temperature. The resulting host‐guest complexes exhibited useful controlled release of para‐dichlorobenzene into air as evaluated by the change in the sample weight. The release speed was affected by the pore size of the used mesoporous silicas; the release of para‐dichlorobenzene was suppressed when the mesoporous silica with the pore size of 3.1 nm was used. The present method for the slow release formulation has such advantages as the materials variation (porous silicas with different pore size and possible pore surface modification) and simple solvent free operation for the sample preparation (mechanochemical encapsulation into the pore).
Solar‐Light‐Driven Photocatalytic Activity of Novel Sn@C‐Dots‐Modified TiO2 Catalyst
Authors: Kumar Vijay Bhooshan , Perkas Nina , Porat Ze'ev , Gedanken Aharon
Published: August 2017

The photocatalytic activity of titanium dioxide (TiO2) has already been investigated and compared with that of other materials. The main goal of the current study is to functionalize TiO2 with tin‐doped carbon dots (Sn@C‐dots/TiO2) and explore the activity of this composite as a photocatalyst for the photodegradation of dye molecules. The new composite Sn@C‐dots/TiO2 was prepared by a two‐step sonochemical reaction: a) Formation of Sn@C‐dots by ultrasonic irradiation of molten tin immersed in polyethylene glycol at 260 °C; b) Addition of TiO2 and further sonication to induce the adhesion of the Sn@C‐dots on the surface of the TiO2. The resulting composite was examined as a photocatalyst for the photodegradation of methylene blue and crystal violet under solar radiation and was found to exhibit better activity than commercial TiO2 or C‐dots/TiO2. Doping C‐dots with Sn and making hybrid Sn@C‐dots/TiO2 nanocomposites opens a new type of photocatalytic materials.
Bismuth(III) triflate: An Efficient Catalyst for the Synthesis of Diverse Biologically Relevant Heterocycles
Authors: Banerjee Bubun
Published: August 2017

Last decade has seen a tremendous applications of bismuth(III) trifluoromethanesulfonate [Bi(OTf)3] as an efficient, cheap, environmentally benign, Lewis acidic catalyst for the various organic transformations. On the other hand heterocycles are very common in naturally occurring compounds and are the privileged structural subunit of many marketed drug molecules. The present review summarizes the applications of bismuth(III) triflate as a catalyst for the synthesis of diverse biologically relevant heterocycles reported so far.
Iron‐Catalyzed Regioselective Synthesis of 3‐Arylindoles
Authors: Yin Zhiping , Wang Zechao , Wu Xiao‐Feng
Published: August 2017

An interesting iron‐catalyzed synthesis of 3‐arylindoles from their corresponding nitrosoarenes and alkynes has been developed. By using iron(II) phthalocyanine as the catalyst precursor and CO as the reductant, broad range of nitrosoarenes and alkynes were transformed into the corresponding indoles in good yields with excellent functional groups tolerance. Remarkably, CO gas can be replaced by other reductants such as isopropanol as well.
Poly (Lactic Acid) Grafting of TiO2Nanoparticles : A Shift in Dye Degradation Performance of TiO2from UV to Solar Light
Authors: Shaikh Tauhid , Rathore Anuradha , Kaur Harjinder
Published: August 2017

Poly lactic acid (PLA) grafting of TiO2nanoparticles was carried out by in‐situ polycondenstion of lactic acid. The synthesized nanocomposite was characterized by Fourier transform infrared spectroscopy (FT‐IR), X‐ray diffraction (XRD),13C Nuclear magnetic resonance (NMR), Thermal Gravimetric Analysis (TGA), X‐ray Photoelectron Spectroscopy (XPS), Transmission Electron Microscope (TEM) etc. Surprisingly, when a chance study of its photocatalytic activity for degradation of two textile dyes viz. methyl orange (MeO) and malachite green (MG) under UV light and solar light, was carried out, it was observed that degradation was faster under sunlight as compared to UV light. In fact, the degradation is fastest reported so far in literature..Complete decolouration of a 10−4M solution of the two dyes under sunlight occurred in 20 and 8 minutes respectively with corresponding first order rate constants of 0.191 and 0.405 min−1. Further, the photocatalyst showed good recyclabilty and recycled catalyst was also analyzed by FT‐IR, XRD, and TEM.
Kinetic Profile and Catalytic Activity of Transition Metal‐Based Ionic Liquids for Reduction of Nitroarenes via In Situ Formation of Nanoparticles
Authors: Thawarkar Sachin R. , Khupse Nageshwar D. , Kumar Anil
Published: August 2017

The experimentally determined apparent rate constant (kapp) shows that the [BmIm]2[PdCl4] and [BmIm]2[NiCl4] act as effective catalysts for the reduction of nitroarenes to aminoarenes in the presence of NaBH4. The TEM, XPS, XRD and dynamic light scattering studies show that there is in situ formation of Pd and Ni metal Nanoparticles (NPs) from the reduction of [BmIm]2[PdCl4] and [BmIm]2[NiCl4], respectively which are responsible for the enhancement in the catalytic activity. Thus, in the presence of the ionic liquid stabilized metal NPs show higher catalytic activity in comparison to the NPs stabilized with other capping agents as reported. The order of kapp as 1) PNP > 2‐BrPNP > 2‐APNP and 2) PNP > ONP > 2‐NR for reduction of nitroarenes using [BmIm]2[PdCl4] and [BmIm]2[NiCl4] and its correlation explained on the basis of electronic structure and hydrogen bonding ability of nitroarenes. The thermodynamic parameters such as Ea, ▵H#, ▵S# and ▵G# are in agreement with the surface catalyzed reduction reaction of PNP in the presence of NPs as catalyst. The kapp values illustrated the reduction reaction follow the Langmuir‐Hinshelwood (L‐H) mechanism.
Ligand Dynamics and Aerobic Allylic Oxidation with Bifunctional Ni(NHC) Complexes
Authors: Hazlehurst Richard J. , Hendriks Scott W.E. , Boyle Paul D. , Blacquiere Johanna M.
Published: August 2017

The synthesis of three new NiCl(allyl/cinnamyl)(NHC) complexes, containing a bifunctional NHC (N‐heterocyclic carbene) ligand is described. Two different NHCs were utilized that contain a secondary amine (HNR; R=t‐Bu or Mes) moiety on one of the N‐imidazolylidene arms. Complexes with allyl (2 a) and cinnamyl (3 a and 3 b) were each crystallographically characterized and η3‐allyl and κ1‐C NHC ligand coordination modes were found in the solid‐state. In the solution‐state, each of the ligands shows highly fluxional behaviour. Halide substitution of the chloro ligand for iodo effectively slows the ligand dynamics and permits solution‐state characterization that is in agreement with the solid‐state structures. The complexes react with oxygen to ultimately oxidize the allyl or cinnamyl ligands to acrolein (AC) or cinnamaldehyde (CA) and phenyl vinyl ketone (PVK), respectively. The bifunctional nature of the NHC has limited influence on oxidation reactivity, but preliminary evidence suggests it plays a role in the stability of the nickel oxidation products.
Friction and Wetting Transitions of Magnetic Droplets on Micropillared Superhydrophobic Surfaces
Authors: Al‐Azawi Anas , Latikka Mika , Jokinen Ville , Franssila Sami , Ras Robin H. A.
Published: August 2017

Reliable characterization of wetting properties is essential for the development and optimization of superhydrophobic surfaces. Here, the dynamics of superhydrophobicity is studied including droplet friction and wetting transitions by using droplet oscillations on micropillared surfaces. Analyzing droplet oscillations by high‐speed camera makes it possible to obtain energy dissipation parameters such as contact angle hysteresis force and viscous damping coefficients, which indicate pinning and viscous losses, respectively. It is shown that the dissipative forces increase with increasing solid fraction and magnetic force. For 10 µm diameter pillars, the solid fraction range within which droplet oscillations are possible is between 0.97% and 2.18%. Beyond the upper limit, the oscillations become heavily damped due to high friction force. Below the lower limit, the droplet is no longer supported by the pillar tops and undergoes a Cassie–Wenzel transition. This transition is found to occur at lower pressure for a moving droplet than for a static droplet. The findings can help to optimize micropillared surfaces for low‐friction droplet transport.
Size effect in shear and punching shear failures of concrete members without transverse reinforcement: Differences between statically determinate members and redundant structures
Authors: Fernández Ruiz Miguel , Muttoni Aurelio
Published: August 2017

Large efforts have been devoted in the past to understanding size effect in shear failures of members without transverse reinforcement. Experimental works have demonstrated that increasing the size reduces the nominal shear strength provided that the failure mode is brittle. For large specimen sizes where a linear behavior can be assumed between the opening of the shear cracks and the acting shear force, the size effect agrees with linear‐elastic fracture mechanics (LEFM). In this case, the reduction of nominal shear strength is characterized with respect to the specimen size by an asymptotic slope (in double‐log scale) of −1/2. However, such a linear relationship between crack widths and applied shear force is not present in most reinforced concrete structures, where the response is characterized by a nonlinear behavior at a cracked stage. In these cases, the influence of size effect shall be milder, and the slope (in double‐log scale) characterizing it shall be lower than −1/2. In this paper, the influence of size effect on structures characterized by internal redundancy (continuous one‐way members and slabs in case of punching shear with a nonlinear response) is investigated in the frame of the critical shear crack theory. The theory predicts the same influence as LEFM with respect to size effect when a linear behavior can be assumed, but it yields consistently milder influence of size effect for structurally redundant elements with a nonlinear response.
Urinary microRNAs for prostate cancer diagnosis, prognosis, and treatment response: are we there yet?
Authors: Balacescu Ovidiu , Petrut Bogdan , Tudoran Oana , Feflea Dragos , Balacescu Loredana , Anghel Andrei , Sirbu Ioan O. , Seclaman Edward , Marian Catalin
Published: August 2017

Prostate cancer (PCa) remains one of the leading causes of cancer‐related deaths in men. Despite the tremendous progress in research over the years, a suitable minimally invasive PCa biomarker is yet to be discovered. The recent advances regarding the roles of microRNAs as biomarkers has allowed for their study in PCa as well, especially as blood‐based markers. However, there are several studies that used urine as biological sample to evaluate microRNAs as biomarkers for PCa diagnosis, prognosis, and treatment response, which were reviewed herein. A high degree of inconsistency among reports has been observed, which could be due to several analytical aspects, starting with different urinary fractions used for analysis and continuing with the employment of various analytical platforms and methods of statistical analysis. However, a few microRNAs were found to be dysregulated in the urine of PCa patients, which alone or together with serum prostate‐specific antigen seem to improve diagnostic power even in the gray zone of PCa. These results warrant further confirmation by larger prospective studies, preferably using a standardized protocol for analysis. WIREs RNA 2017, 8:e1438. doi: 10.1002/wrna.1438

This article is categorized under:

RNA in Disease and Development > RNA in Disease
Synthesis and Characterization of [Rb([18]crown‐6)]3As15Zn·4NH3 and [Rb([2.2.2]crypt)]4Sb14Zn·8NH3
Authors: Kaas Marina , Korber Nikolaus
Published: August 2017

The new compound [Rb([18]crown‐6)]3As15Zn·4NH3 was obtained by the reaction of Rb3As7, ZnPh2, [18]crown‐6, and [2.2.2]crypt in liquid ammonia. The black monoclinic crystals contain the (As15Zn)3– anion, in which two As73– cages are linked by an As–Zn unit. The anionic units are separated by cationic [Rb([18]crown‐6)]+ units. The analogous reaction of Rb3Sb7, ZnPh2, [18]crown‐6, and [2.2.2]crypt yielded black triclinic crystals of the compound [Rb([2.2.2]crypt)]4Sb14Zn·8NH3. This is the first antimony derivative with the (E14Zn)4– anionic motif, which consists of two nortricyclane like cages linked by a Zn atom. Quantum chemical calculations on the anionic units confirm that the electron density is mainly found at the periphery of the cluster system. This phenomenon is in accord with the observations already reported for the 1,2,3‐tripnicolides.
Coordination of Boron‐centered Lewis Acids by organo‐substituted Phosphanylboranes
Authors: Marquardt Christian , Kahoun Tobias , Baumann Josef , Timoshkin Alexey Y. , Scheer Manfred
Published: August 2017

The reactions of the monomeric phosphanylboranes Ph2P–BH2·NMe3 (1a) and tBuHP–BH2·NMe3 (1b) with the main group Lewis acids BH3 and BBr3 yield the adducts H3B·Ph2P–BH2·NMe3 (2a) and H3B·tBuHP–BH2·NMe3 (2b), Br3B·Ph2P–BH2·NMe3 (3a), and Br3B·tBuHP–BH2·NMe3 (3b). All these compounds were completely characterized by single‐crystal X‐ray structure analysis, NMR and IR spectroscopy as well as mass spectrometry and DFT computations. The secondary and tertiary phosphines 1a and 1b behave as classical Lewis bases to coordinate BX3 (X = H, Br) as terminal groups.
Management and eradication options for Queensland fruit fly
Authors: Stringer Lloyd D. , Kean John M. , Beggs Jacqueline R. , Suckling D. Max
Published: August 2017

Several tephritid fruit flies have explosive population growth and a wide host range, resulting in some of the largest impacts on horticultural crops, reducing marketable produce, and limiting market access. For these pests, early detection and eradication are routinely implemented in vulnerable areas. However, social and consumer concerns can limit the types of population management tools available for fruit fly incursion responses. Deterministic population models were used to compare eradication tools used at typical densities alone and in combination against the Queensland fruit fly (‘Qfly’), Bactrocera tryoni. The models suggested that tools that prevent egg laying are likely to be most effective at reducing populations. Tools that induced mortality once Qfly was sexually mature only slowed population growth, as successful mating still occurred. Release of sterile Qfly when using the sterile insect technique (SIT) interferes with the successful mating of wild flies, and of the tools investigated here, SIT caused the greatest reduction in the population at the prescribed release rate. Used in tandem with SIT, protein baits slightly improved the rate of population reduction, but the male annihilation technique (MAT) almost nullified control by SIT due to the mortality induced on sterile flies. The model suggested that the most rapid decrease in population size would be achieved by SIT plus protein baits. However, the model predicted both the SIT and protein baits when used alone would result in population reduction. The MAT can be used prior to SIT release to increase overflooding ratios.
Engineering of Escherichia coli for the synthesis of N-hydroxycinnamoyl tryptamine and serotonin
Authors: Lee Su Jin , Sim Geun-Young , Lee Youngshim , Kim Bong-Gyu , Ahn Joong-Hoon
Published: August 2017

Plants synthesize various phenol amides. Among them, hydroxycinnamoyl (HC) tryptamines and serotonins exhibit antioxidant, anti-inflammatory, and anti-atherogenic activities. We synthesized HC–tryptamines and HC–serotonin from several HCs and either tryptamine or serotonin using Escherichia coli harboring the 4CL (4-coumaroyl CoA ligase) and CaHCTT [hydroxycinnamoyl-coenzyme A:serotonin N-(hydroxycinnamoyl)transferase] genes. E. coli was engineered to synthesize N-cinnamoyl tryptamine from glucose. TDC (tryptophan decarboxylase) and PAL (phenylalanine ammonia lyase) along with 4CL and CaHCTT were introduced into E. coli and the phenylalanine biosynthetic pathway of E. coli was engineered. Using this strategy, approximately 110.6 mg/L of N-cinnamoyl tryptamine was synthesized. By feeding 100 μM serotonin into the E. coli culture, which could induce the synthesis of cinnamic acid or p-coumaric acid, more than 99 μM of N-cinnamoyl serotonin and N-(p-coumaroyl) serotonin were synthesized.
Effect of alisertib, an investigational aurora a kinase inhibitor on the QTc interval in patients with advanced malignancies
Authors: Zhou Xiaofei , Nemunaitis John , Pant Shubham , Bauer Todd M. , Patel Manish , Sarantopoulos John , Craig Lockhart A. , Goodman Daniel , Huebner Dirk , Mould Diane R. , Venkatakrishnan Karthik
Published: August 2017

Aims A primary objective of this study was to investigate the effect of single and multiple doses of alisertib, an investigational Aurora A kinase inhibitor, on the QTc interval in patients with advanced malignancies. The dose regimen used was the maximum tolerated dose which was also the recommended phase 3 dose (50 mg twice daily [BID] for 7 days in 21-day cycles). Methods Patients received a single dose of alisertib (50 mg) on Day 1, and multiple doses of alisertib (50 mg BID) on Days 4 through to the morning of Day 10 of the first cycle of treatment. Triplicate ECGs were collected at intervals over 10 to 24 h via Holter recorders on Days −1 (baseline), 1 and 10. Changes from time-matched baseline values were calculated for various ECG parameters including QTc, heart rate, PR and QRS intervals. Alisertib pharmacokinetics were also assessed during the study, and an exposure-QTc analysis was conducted. Results Fifty patients were included in the QTc analysis. The upper bounds of the 95% confidence intervals for changes from time-matched baseline QTcF and QTcI values were <5 ms across all study days, time points and correction methods. Alisertib did not produce clinically relevant effects on heart rate, PR or QRS intervals. There was no evidence of a concentration-QTc effect relationship. Conclusions Alisertib does not cause QTc prolongation and can be concluded to not have any clinically relevant effects on cardiac repolarization or ECG parameters at the single agent maximum tolerated dose of 50 mg BID.
Sexual Health, Mental Health, and Beliefs About Cancer Treatments Among Women Attending a Gynecologic Oncology Clinic
Authors: Eaton Lisa , Kueck Angela , Maksut Jessica , Gordon Lori , Metersky Karen , Miga Ashley , Brewer Molly , Siembida Elizabeth , Bradley Alison
Published: August 2017

Introduction

Sexual health is an important, yet overlooked, aspect of quality of life for gynecologic oncologic patients. Although patients with gynecologic cancer frequently report sexual health concerns, there are limited efforts to address these problems. A comprehensive understanding of the relationship between mental health and sexual health needs to be prioritized.

Aim

To examine multiple components of sexual health in patients with gynecologic cancer.

Methods

For the present study, sexual health concerns (ie, sexual frequency, desire, response, and satisfaction; orgasm; and pain during sex; independent variables), beliefs about cancer treatments affecting sexual health (dependent variable), and mental health (ie, anxiety and depressive symptoms; dependent variables) of patients at a US gynecologic oncology clinic were assessed.

Main Outcome Measures

Demographics; cancer diagnosis; positive screening results for cancer; sexual health histories including sexual frequency, desire, pain, orgasm, responsiveness, and satisfaction; and mental health including depression and anxiety symptoms.

Results

Most women reported experiencing at least one sexual health concern, and half the women screened positive for experiencing symptoms of depression and anxiety. Forty-nine percent of participants reported having no or very little sexual desire or interest in the past 6 months. Further, in mediation analyses, pain during sex was significantly and positively correlated with depressive symptoms (r = 0.42, P < .001), and this relationship was fully mediated by believing that cancer treatments affected one's sexual health (B = 0.16, 95% confidence interval = 0.01–0.48, P < .05).

Conclusion

Findings emphasize the need to further address and incorporate sexual and mental health into standard care for patients attending gynecologic oncology clinics. Screening women for whether and to what extent they perceive cancer treatments affecting their sexual health could provide a brief, easily administrable, screener for sexual health concerns and the need for further intervention. Intervention development for patients with gynecologic cancer must include mental health components and addressing perceptions of how cancer treatments affect sexual health functioning.

Eaton L, Kueck A, Maksut J, et al. Sexual Health, Mental Health, and Beliefs About Cancer Treatments Among Women Attending a Gynecologic Oncology Clinic. Sex Med 2017;5:e175–e183.