bluuebunny/crossref_metadata_2025 huggingface dataset:
Stereoselective Nanozyme Based on Ceria Nanoparticles Engineered with Amino Acids
Authors: Sun Yuhuan , Zhao Chuanqi , Gao Nan , Ren Jinsong , Qu Xiaogang
Published: November 2017

Stereoselectivity towards substrates is one of the most important characteristics of enzymes. Amino acids, as cofactors of many enzymes, play important roles in stereochemistry. Herein, chiral nanozymes were constructed by grafting a series of d‐ or l‐amino acids onto the surfaces of ceria (cerium oxide) nanoparticles. We selected the most commonly used drug for combating Parkinson's disease, that is, 3,4‐dihydroxyphenylalanine (DOPA) enantiomers, as examples for chiral catalysis. Through detailed kinetic studies of cerium oxide nanoparticles (CeNPs) modified with different eight amino acids, we found that phenylalanine‐modified CeNP was optimal for the DOPA oxidation reaction and showed excellent stereoselectivity towards its enantiomers. l‐Phenylalanine‐modified CeNPs showed higher catalytic ability for oxidation of d‐DOPA, while d‐phenylalanine‐modified CeNPs were more effective towards l‐DOPA. Taken together, the results indicated that stereoselective nanozyme can be constructed by grafting nanoparticles with chiral molecules. This work may inspire better design of chiral nanozymes.
Three‐dimensional simulations of non‐isothermal flow for gas penetration in complex cavity during gas assisted injection moulding process
Authors: Li Qiang , Niu Haifeng
Published: November 2017

In this paper an R‐function is employed to construct the shape level set (LS) function for representing the complex mould cavity in a gas‐assisted injection moulding (GAIM) process. With the shape LS function, the continuity, momentum, and energy equations can be extended for solving the gas‐liquid two‐phase flows using the finite volume and immersed boundary methods. Firstly, an improved simple coupled level set and volume of fluid (S‐CLSVOF) method is proposed to track the moving interfaces of gas‐liquid interface and polymer melt front. Then the benchmark problems of the two‐ and three‐dimensional deformation tests are carried out to verify the ability of the improved S‐CLSVOF method. At last, the gas penetration processes are simulated in two different complex mould cavities. The numerical results show that the improved S‐CLSVOF method has higher accuracy than the S‐CLSVOF method, and the coupled numerical framework can successfully depict the asymmetry phenomenon of gas flow, racetracking, and fountain phenomena, which has great significance in determining processing conditions and designing mould cavities.
Activation of the Wnt Pathway by Small Peptides: Rational Design, Synthesis and Biological Evaluation
Authors: Brogi Simone , Maramai Samuele , Brindisi Margherita , Chemi Giulia , Porcari Valentina , Corallo Claudio , Gennari Luigi , Novellino Ettore , Ramunno Anna , Butini Stefania , Campiani Giuseppe , Gemma Sandra
Published: November 2017

A computational analysis of the X‐ray structure of the low‐density lipoprotein receptor‐related protein 6 (LRP6) with the Dickkopf‐1 (DKK1) C‐terminal fragment has allowed us to rationally design a small set of decapeptides. These compounds behave as agonists of the canonical Wnt pathway in the micromolar range when tested on a dual luciferase Wnt functional assay in glioblastoma cells. Two of the oligopeptides showed a lack of cytotoxicity in human primary osteoblasts isolated from sponge bone tissue (femoral heads or knees of elderly patients). According to the mechanism of action, the studies revealed a dose‐ and time‐dependent increase in the viability of human osteoblasts. These results may indicate a potential therapeutic application of this class of compounds in the treatment of bone diseases related to aging, such as osteoporosis.
Biomarkers for immune checkpoint inhibitors: The importance of tumor topography and the challenges to cytopathology
Authors: Clark Douglas P.
Published: November 2017

The recent emergence of immune checkpoint inhibitors for cancer therapy has created much excitement among cancer patients, drug and diagnostic developers, and health care professionals. This is due largely to the dramatic and sustained responses among some advanced cancers that were previously refractory to therapy. Unfortunately, these responses are difficult to predict, so the goal of the right drug for the right patient at the right time remains elusive. This is in part due to the complexity of the tumor immune microenvironment and its role in drug efficacy. The application of biomarkers to pathologic specimens to predict responses to therapy remains one of the key roles for pathologists in precision medicine. For the new immune checkpoint inhibitors, the emerging class of biomarkers revolves around the immunohistochemical detection of the drug target (or its ligand), programmed cell death ligand 1, on tumor cells or associated immune cells. The diagnostic terrain is already complex because of the involvement of different technology platforms, antibody clones, scoring systems, and indications for their use. The application of these biomarkers to cytologic specimens is critical because the current drug indications are for advanced‐stage cancers that are often sampled by minimally invasive cytologic means rather than surgical resection. This review summarizes the current state of biomarkers for immune checkpoint inhibitors with an emphasis on the opportunities for and threats to cytologic samples. Cancer Cytopathol 2018;126:11‐9. © 2017 American Cancer Society.
Single Crystals of KRE(MoO4)2, (RE‐ Ce, Pr) Obtained from Fluorides: Scheelite‐Related Structure and Luminescence
Authors: Terebilenko Kateryna V. , Bychkov Konstantin L. , Klymyshyna Kateryna E. , Baumer Vyacheslav N. , Slobodyanik Mykola S. , Khomenko Elena V. , Dotsenko Volodymir P.
Published: November 2017

Single crystals of double molybdates KRE(MoO4)2 (RE = Ce and Pr) have been prepared from high‐temperature melts by a facile and effective fluoride‐assisted method, and investigated by XRD, FTIR and photoluminescence (PL) spectroscopy. The results showed that the molar ratio of K/Mo in the molten solution play an important role in controlling content of the crystalline products. The crystallization fields of KCe(MoO4)2 has been found avoiding oxides admixtures. Both tetragonal scheelite‐related crystal structures have been established by means of single crystal X‐Ray diffraction. Structural motif of KPr(MoO4)2 has been established for the first time, while KCe(MoO4)2 has been reinvestigated and its crystal structure data have been refined. The excitation and emission spectra of KPr(MoO4)2 have been discussed in a light of energy transfer from a molybdate host.
The 3 D Structure of Twisted Benzo[ghi]perylene‐Triimide Dimer as a Non‐Fullerene Acceptor for Inverted Perovskite Solar Cells
Authors: Karuppuswamy Priyadharsini , Chen Hung‐Cheng , Wang Pen‐Cheng , Hsu Chao‐Ping , Wong Ken‐Tsung , Chu Chih‐Wei
Published: November 2017

Here, we introduced benzo[ghi]perylenetriimide (BPTI) derivatives including monomer and twisted dimer (t‐BPTI) as an alternative electron‐transport layer (ETL) material to replace the commonly used PC61BM in inverted planar heterojunction perovskite solar cells (PSCs). Moreover, the double ETL was applied in our PSCs with structure of glass/ITO/PEDOT:PSS/perovskite/BPTI/C60 or PDI‐C4/BCP/Al. The use of a double ETL structure can effectively eliminate the leakage current. The devices with the t‐BPTI/C60 double ETL yield an average power conversion efficiency of 10.73 % and a maximum efficiency of 11.63 %. The device based on the complete non‐fullerene electron acceptors of t‐BPTI/PDI‐C4 as double ETL achieved maximum efficiency of 10.0 %. Moreover, it was found that the utilization of alloy t‐BPTI+BPTI as ETL can effectively reduce the hysteresis effect of PSCs. The results suggest that BPTI‐based electron‐transport materials are potential alternatives for widely used fullerene acceptors in PSCs.
Artificial Photosynthesis: Beyond Mimicking Nature
Authors: Dau Holger , Fujita Etsuko , Sun Licheng
Published: November 2017

In this Editorial, Guest Editors Holger Dau, Etsuko Fujita, and Licheng Sun introduce the Special Issue of ChemSusChem on “Artificial Photosynthesis for Sustainable Fuels”. They discuss the need for non‐fossil based fuels, introduce both biological and artificial photosynthesis, and outline various important concepts in artificial photosynthesis, including molecular and solid‐state catalysts for water oxidation and hydrogen evolution, catalytic CO2 reduction, and photoelectrochemical systems.
Osteopontin deletion drives hematopoietic stem cell mobilization to the liver and increases hepatic iron contributing to alcoholic liver disease
Authors: Magdaleno Fernando , Ge Xiaodong , Fey Holger , Lu Yongke , Gaskell Harriet , Blajszczak Chuck C. , Aloman Costica , Fiel M. Isabel , Nieto Natalia
Published: November 2017

The aim of this study was to investigate the role of osteopontin (OPN) in hematopoietic stem cell (HPSC) mobilization to the liver and its contribution to alcoholic liver disease (ALD). We analyzed young (14‐16 weeks) and old (>1.5 years) wild‐type (WT) littermates and global Opn knockout (Opn−/−
) mice for HPSC mobilization to the liver. In addition, WT and Opn−/−
mice were chronically fed the Lieber–DeCarli diet for 7 weeks. Bone marrow (BM), blood, spleen, and liver were analyzed by flow cytometry for HPSC progenitors and polymorphonuclear neutrophils (PMNs). Chemokines, growth factors, and cytokines were measured in serum and liver. Prussian blue staining for iron deposits and naphthol AS‐D chloroacetate esterase staining for PMNs were performed on liver sections. Hematopoietic progenitors were lower in liver and BM of young compared to old Opn−/−
mice. Granulocyte colony‐stimulating factor and macrophage colony‐stimulating factor were increased in Opn−/−
mice, suggesting potential migration of HPSCs from the BM to the liver. Furthermore, ethanol‐fed Opn−/−
mice showed significant hepatic PMN infiltration and hemosiderin compared to WT mice. As a result, ethanol feeding caused greater liver injury in Opn−/−
compared to WT mice. Conclusion: Opn deletion promotes HPSC mobilization, PMN infiltration, and iron deposits in the liver and thereby enhances the severity of ALD. The age‐associated contribution of OPN to HPSC mobilization to the liver, the prevalence of PMNs, and accumulation of hepatic iron, which potentiates oxidant stress, reveal novel signaling mechanisms that could be targeted for therapeutic benefit in patients with ALD. (Hepatology Communications 2018;2:84–98)
Highly Selective Room Temperature Monoreduction of Dinitro‐arenes by Hydrogen Sulfide under Liquid–Liquid Biphasic Catalysis
Authors: Mondal Ujjal , Sen Sujit
Published: November 2017

Selective reduction of one of the nitro group present in dinitro aromatic compounds by a novel Zinin reagent, H2S‐laden N‐methyldiethanolamine (MDEA) solution, has been explored in the presence of tetra‐n‐butyl phosphonium bromide as a phase transfer catalyst under the liquid–liquid mode of reaction. Under the room temperature reaction condition, reduction of 2,4‐dinitrotoluene (2,4‐DNT) with H2S‐laden MDEA leads to the selective reduction of one nitro group present either at the fourth position to obtain 4‐amino‐2‐nitrotoluene (4A2NT) or at the second position to get 2‐amino‐4‐nitrotoluene (2A4NT). The reaction was very fast to achieve 100% conversion, and the selectivity of 4A2NT is much higher than the 2A4NT. A detailed parametric study was performed to analyze the effect of parameters on 2,4‐DNT conversion and selectivity of both the isomers. The apparent activation energy was found to be as high as 46.25 kJ/mol, and the reaction was found to be kinetically controlled. An empirical kinetic model has been developed to correlate with the conversion version time data obtained experimentally. The present system dealt with an industrial problem in dealing with H2S, present in by‐product gaseous streams of many petroleum and natural gas industries. Novelties in the selective monoreduction lie in that fact that the reaction was done at room temperature (303 K), with a novel reagent, H2S‐laden MDEA solution. Therefore waste‐minimization was effected to yield value‐added fine chemicals, that is, amines.
Technical note: Accelerated nonrigid motion‐compensated isotropic 3D coronary MR angiography
Authors: Correia Teresa , Cruz Gastão , Schneider Torben , Botnar René M. , Prieto Claudia
Published: November 2017

Purpose

To develop an accelerated and nonrigid motion‐compensated technique for efficient isotropic 3D whole‐heart coronary magnetic resonance angiography (CMRA) with Cartesian acquisition.

Methods

Highly efficient whole‐heart 3D CMRA was achieved by combining image reconstruction from undersampled data using compressed sensing (CS) with a nonrigid motion compensation framework. Undersampled acquisition was performed using a variable‐density Cartesian trajectory with radial order (VD‐CAPR). Motion correction was performed in two steps: beat‐to‐beat 2D translational correction with motion estimated from interleaved image navigators, and bin‐to‐bin 3D nonrigid correction with motion estimated from respiratory‐resolved images reconstructed from undersampled 3D CMRA data using CS. Nonrigid motion fields were incorporated into an undersampled motion‐compensated reconstruction, which combines CS with the general matrix description formalism. The proposed approach was tested on 10 healthy subjects and compared against a conventional twofold accelerated 5‐mm navigator‐gated and tracked acquisition.

Results

The proposed method achieves isotropic 1.2‐mm Cartesian whole‐heart CMRA in 5 min ± 1 min (~8× acceleration). The proposed approach provides good‐quality images of the left and right coronary arteries, comparable to those of a twofold accelerated navigator‐gated and tracked acquisition, but scan time was up to about four times faster. For both coronaries, no significant differences (P > 0.05) in vessel sharpness and length were found between the proposed method and reference scan.

Conclusion

The feasibility of a highly efficient motion‐compensated reconstruction framework for accelerated 3D CMRA has been demonstrated in healthy subjects. Further investigation is required to assess the clinical value of the method.
Modeling the frequency‐dependent detective quantum efficiency of photon‐counting x‐ray detectors
Authors: Stierstorfer Karl
Published: November 2017

Purpose

To find a simple model for the frequency‐dependent detective quantum efficiency (DQE) of photon‐counting detectors in the low flux limit.

Methods

Formula for the spatial cross‐talk, the noise power spectrum and the DQE of a photon‐counting detector working at a given threshold are derived. Parameters are probabilities for types of events like single counts in the central pixel, double counts in the central pixel and a neighboring pixel or single count in a neighboring pixel only. These probabilities can be derived in a simple model by extensive use of Monte Carlo techniques: The Monte Carlo x‐ray propagation program MOCASSIM is used to simulate the energy deposition from the x‐rays in the detector material. A simple charge cloud model using Gaussian clouds of fixed width is used for the propagation of the electric charge generated by the primary interactions. Both stages are combined in a Monte Carlo simulation randomizing the location of impact which finally produces the required probabilities. The parameters of the charge cloud model are fitted to the spectral response to a polychromatic spectrum measured with our prototype detector.

Results

Based on the Monte Carlo model, the DQE of photon‐counting detectors as a function of spatial frequency is calculated for various pixel sizes, photon energies, and thresholds.

Conclusion

The frequency‐dependent DQE of a photon‐counting detector in the low flux limit can be described with an equation containing only a small set of probabilities as input. Estimates for the probabilities can be derived from a simple model of the detector physics.
Ion recombination and polarity correction factors for a plane–parallel ionization chamber in a proton scanning beam
Authors: Liszka Małgorzata , Stolarczyk Liliana , Kłodowska Magdalena , Kozera Anna , Krzempek Dawid , Mojżeszek Natalia , Pędracka Anna , Waligórski Michael Patrick Russell , Olko Paweł
Published: November 2017

Purpose

To evaluate the effect on charge collection in the ionization chamber (IC) in proton pencil beam scanning (PBS), where the local dose rate may exceed the dose rates encountered in conventional MV therapy by up to three orders of magnitude.

Methods

We measured values of the ion recombination (ks) and polarity (kpol) correction factors in water, for a plane–parallel Markus TM23343 IC, using the cyclotron‐based Proteus‐235 therapy system with an active proton PBS of energies 30–230 MeV. Values of ks were determined from extrapolation of the saturation curve and the Two‐Voltage Method (TVM), for planar fields. We compared our experimental results with those obtained from theoretical calculations. The PBS dose rates were estimated by combining direct IC measurements with results of simulations performed using the FLUKA MC code. Values of ks were also determined by the TVM for uniformly irradiated volumes over different ranges and modulation depths of the proton PBS, with or without range shifter.

Results

By measuring charge collection efficiency versus applied IC voltage, we confirmed that, with respect to ion recombination, our proton PBS represents a continuous beam. For a given chamber parameter, e.g., nominal voltage, the value of ks depends on the energy and the dose rate of the proton PBS, reaching c. 0.5% for the TVM, at the dose rate of 13.4 Gy/s. For uniformly irradiated regular volumes, the ks value was significantly smaller, within 0.2% or 0.3% for irradiations with or without range shifter, respectively. Within measurement uncertainty, the average value of kpol, for the Markus TM23343 IC, was close to unity over the whole investigated range of clinical proton beam energies.

Conclusion

While no polarity effect was observed for the Markus TM23343 IC in our pencil scanning proton beam system, the effect of volume recombination cannot be ignored.
Aerrow: A probe‐format graphite calorimeter for absolute dosimetry of high‐energy photon beams in the clinical environment
Authors: Renaud James , Sarfehnia Arman , Bancheri Julien , Seuntjens Jan
Published: November 2017

Purpose

In this work, the design, operation, initial experimental evaluation, and characterization of a small‐scale graphite calorimeter probe — herein referred to as the Aerrow — developed for routine use in the clinical environment, are described. Similar in size and shape to a Farmer type cylindrical ionization chamber, the Aerrow represents the first translation of calorimetry intended for direct use by clinical physicists in the radiotherapy clinic.

Methods

Based on a numerically optimized design obtained in previous work, a functioning Aerrow prototype capable of two independent modes of operation (quasi‐adiabatic and isothermal) was constructed in‐house. Reference dose measurements were performed using both Aerrow operation modes in a 6 MV photon beam and were directly compared to results obtained with a calibrated reference‐class ionization chamber. The Aerrow was then used to quantify the absolute output of five clinical linac‐based photon beams (6 MV, 6 MV FFF, 10 MV, 10 MV FFF, and 15 MV; 63.2% < %dd(10)× < 76.3%). Linearity, dose rate, and orientation dependences were also investigated.

Results

Compared to an ion chamber‐derived dose to water of 76.3 ± 0.7 cGy, the average doses measured using the Aerrow were 75.6 ± 0.7 and 74.7 ± 0.7 cGy/MU for the quasi‐adiabatic and isothermal modes, respectively. All photon beam output measurements using the Aerrow in water‐equivalent phantom agreed with chamber‐based clinical reference dosimetry data within combined standard uncertainties. The linearity of the Aerrow's response was characterized by an adjusted R2 value of 0.9998 in the dose range of 80 cGy to 470 cGy. For the dose‐rate dependence, no statistically significant effects were observed in the range of 0.5 Gy/min to 5.4 Gy/min. A relative photon beam quality dependence of 1.7% was calculated in the range of 60Co to 24 MV (58.4% < %dd(10)× < 86.8%) using Monte Carlo. Finally, the angular dependence (gantry stationary and detector rotated) of the Aerrow's response was found to be insignificant to within ±0.5%.

Conclusions

This work demonstrates the feasibility of using an ion chamber‐sized calorimeter as a practical means of measuring absolute dose to water in the radiotherapy clinic. The potential introduction of calorimetry as a mainstream device into the clinical setting is powerful, as this fundamental technique has formed the basis of absorbed dose standards in many countries for decades and could one day form the basis of a new local absorbed dose standard for clinics.
1H NMRS of carnosine combined with 31P NMRS to better characterize skeletal muscle pH dysregulation in Duchenne muscular dystrophy
Authors: Reyngoudt Harmen , Turk Suna , Carlier Pierre G.
Published: November 2017

In recent years, quantitative nuclear magnetic resonance imaging and spectroscopy (NMRI and NMRS) have been used more systematically as outcome measures in natural history and clinical trial studies for Duchenne muscular dystrophy (DMD). Whereas most of these studies have emphasized the evaluation of the fat fraction as an assessment for disease severity, less focus has been placed on metabolic indices measured by NMRS. 31P NMRS in DMD reveals an alkaline inorganic phosphate (Pi) pool, originating from either leaky dystrophic myocytes or an increased interstitial space. 1H NMRS, exploiting the pH‐sensitive proton resonances of carnosine, an intracellular dipeptide, was used to distinguish between these two hypotheses. NMR data were obtained in 23 patients with DMD and 14 healthy subjects on a 3‐T clinical NMR system. Both 31P and 1H NMRS data were acquired at the level of the gastrocnemius medialis muscle. A multi‐slice multi‐echo imaging acquisition was performed for the determination of water T2 and fat fraction in the same region of interest. Whereas nearly all patients with DMD showed an elevated pH compared with healthy controls when using 31P NMRS, 1H NMRS‐determined pH was not systematically increased. As expected, the carnosine‐based intracellular pH was never found to be alkaline in the absence of a concurrent Pi‐based pH elevation. In addition, abnormal intracellular pH, based on carnosine, was never associated with normal water T2 values. We conclude that, in one group of patients, both 1H and 31P NMRS showed an alkaline pH, originating from the intracellular compartment and reflecting ionic dysregulation in dystrophic myocytes. In the other patients with DMD, intracellular pH was normal, but an alkaline Pi pool was still present, suggesting an extracellular origin, probably revealing an expanded interstitial volume fraction, often associated with fibrotic changes. The data demonstrate that 1H NMRS could serve as a biomarker to assess the normalization of intramyocytic pH and sarcolemmal permeability following therapy inducing dystrophin expression in patients with DMD.
Effects of Astragalus Extract Mixture HT042 on Height Growth in Children with Mild Short Stature: A Multicenter Randomized Controlled Trial
Authors: Lee Donghun , Lee Sun Haeng , Song Jungbin , Jee Hee‐Jung , Cha Sung Ho , Chang Gyu Tae
Published: November 2017

HT042 is a standardized functional food ingredient approved by Korean Food and Drug Administration with a claim ‘HT042 can help height growth of children’. We aimed to evaluate the safety and efficacy of HT042 on height growth in children with mild short stature. A multicenter, randomized, double‐blind, placebo‐controlled parallel study was performed on children aged 6–8 years with height ranked below the 25th percentile. In 129 children, height gain was significantly higher in HT042 group than placebo group after 24 weeks (mean difference, 0.29 cm; 95% CI, 0.01 to 0.57 cm; p = 0.027). The difference was elevated when the efficacy analysis was restricted to children below the 10th percentile (mean difference, 0.45 cm; 95% CI, 0.04 to 0.87 cm; p = 0.031). Because bone age advancement was lower in HT042 group, height standard deviation score gain for bone age was higher in HT042 group and the difference was significant in children below the 10th percentile (mean difference, 0.20 score; 95% CI, 0.00 to 0.39 points; p = 0.045). Serum IGF‐1 and IGFBP‐3 levels were significantly increased compared with baseline within HT042 group, but group difference was not significant. HT042 supplementation helped to increase height growth in children without skeletal maturation and was more effective in much shorter children. The effects might be mediated by increases in serum IGF‐1 and IGFBP‐3 levels. Copyright © 2017 John Wiley & Sons, Ltd.
Sliding mode heading control of an overactuated, hover‐capable autonomous underwater vehicle with experimental verification
Authors: Tanakitkorn Kantapon , Wilson Philip A. , Turnock Stephen R. , Phillips Alexander B.
Published: November 2017

A sliding mode heading control system is developed for overactuated, hover‐capable autonomous underwater vehicles (AUVs) operating over a range of forward speeds. A simplified switching function is introduced, and simulation studies are proposed accordingly. The results with this novel switching function show a significant improvement in the chattering problem when compared to other conventional switching function candidates. Studies on sensitivities to a range of hydrodynamic parameter uncertainties are presented, and the parameters that have major influences on the sliding mode control performance are highlighted. The proposed control system is also proven in the field trials to enhance vehicle response, yielding consistent, and robust performance over the entire range of vehicle's speeds, even when subjected to external disturbance. It also shows superior heading tracking performance when compared to a proportional‐derivative (PD) based approach implemented on the same vehicle. However, this improved performance requires intense control actions as a trade‐off, causing the AUV to expend more energy than with the P‐D approach. Path following trials, where the AUV is demanded to follow a set of GPS coordinates at the water surface, are presented. These demonstrate the applicability of the proposed heading control system in a practical operation. The presented SMC scheme can be applied to any vehicle straightforwardly, but the control allocation part may need to be modified regarding the actuator configuration of that vehicle.
Swapping Circularly Polarised Luminescence of Eu(III)‐Binaphthyl Hybridized Luminophore with and without Oxymethylene Spacer
Authors: Hara Nobuyuki , Okazaki Mamoru , Shizuma Motohiro , Marumoto Shinsuke , Tajima Nobuo , Fujiki Michiya , Imai Yoshitane
Published: November 2017

Chiroptical signs in circularly polarised luminescence (CPL) of Eu(III) luminophores coordinated to C2‐symmetric binaphthyl ring carrying carboxylic acids, (R)‐1 (and (S)‐1)) and (R)‐2 (and (S)‐2)) were inverted by inserting two oxymethylene spacers between the ring and the acids. The subtle difference in reorganization between (R)‐1 and (R)‐2 causes the apparent CPL sign‐swapping characteristics. We assume that (R)‐2 is more likely to undergo this reorganization rather than (R)‐1 because of the highly flexible spacer and vice versa. The subtle difference in the rotational freedom of the ligands with and without the two spacers causes the opposite CPL signs although (R)‐1/Eu and (R)‐2/Eu had the same CD sign in the ground state. This was proven by experimental and theoretical data.
Facile Synthesis of Porous Flower‐Like Co3O4‐SiO2 Composite for Catalytic Decoloration of Rhodamine B
Authors: Meng Qingnan , Wang Kai , Tang Yufei , Zhao Kang , Zhang Guojun , Han Zhenhua , Yang Jun
Published: November 2017

Flower‐like Co3O4‐SiO2 composite (FCSC) is prepared by a facile one‐pot two‐step solution synthesis followed by calcination. In our method, metalic Co nanoparticles are used as the starting material, which are oxidized to the flower‐like Co(OH)2 structure in the early stage of silica coating. The silica shell effectively keeps the 3D flower‐like structure from collapsing and also prevents the Co3O4 becoming large during calcination. The as‐prepared FCSC is investigated by scanning electron microscope (SEM), X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), transmission electron microscope (TEM) and N2 adsorption/desorption measurements and a plausible formation mechanism is proposed. The final product has a large sepcific surface area of 347.6 m2⋅g−1 which shows superior catalytic performance in catalytic decoloration of rhodamine B with peroxymonosulfate (PMS), offering great promise for water treatment.
Mn(II), Co(III), Ni(II), Cd(II) and Cu(II) Complexes of 2‐Thenoyltrifluoroacetone: Syntheses, Structures, Photoluminescence, Thermal, Electrochemical and Antitumor Studies on Dalton's Lymphoma Cells
Authors: Nath Paras , Bharty Manoj K. , Dani Rajeev K. , Tomar Munendra S. , Acharya Arbind
Published: November 2017

Five complexes [Mn(ttfa)2(py)2] (1), [Co(ttfa)3] (2), [Ni(ttfa)2(en)] (3), [Cd(ttfa)2(bpy)] (4), and [Cu(ttfa)2(py)] (5) {where Httfa=2‐thenoyltrifluoroacetone} have been synthesized and characterized by elemental analyses, IR, UV‐Vis and single crystal X‐ray diffraction data. Both oxygen atoms of ttfa chelate with the metal ions forming six‐membered C3O2M chelate rings in the complexes. In complexes 1–4 the metal ion adopts a distorted octahedral geometry while the complex 5 is distorted square pyramidal. In the solid state, complexes are stabilized by various types of inter‐intramolecular interactions. Upon excitation at about 29500 cm−1, complexes 1, 2, 3 and 5 exhibit blue emissions while the complex 4 emits violet colour. Electrochemical studies of Httfa and complexes show irreversible redox behavior. Thermal degradation of the complexes as analyzed by TG‐DTA suggests the formation of their respective metal oxides as final thermally stable chemical entities. Httfa, complex 1 and 5 are studied for cytotoxicity on Dalton's lymphoma cells using MTT assay, apoptotic analysis and DNA fragmentation assay which reveals their order of activity as complex 5 > complex 1 > Httfa.
Effects of Pre‐Reduction Degree of Ironsand on Slag Properties in Melting Separation Process
Authors: Wang Zhenyang , Zhang Jianliang , Jiao Kexin , Liu Zhengjian
Published: November 2017

Ironsand is a kind of titanomagnetite ore and has been maturely used through direct reduction (DR) and melting separation (MS) processes. As an intermediate parameter, pre‐reduction degree (PRD) can be controlled in the upstream DR, and has a considerable influence on metal/slag separation in subsequent MS. Thus, the effects of PRD on the properties of melting separation slag from pre‐reduced ironsand are studied in order to ensure the melting separation sufficient at the condition of slag with high titanium oxide content. The softening, melting, and flowing temperatures of slag show different variation trends along with PRD changing, and the slag at 90% PRD has the narrowest softening‐flowing temperature interval. The viscosity of slag of 90% PRD also shows the proper smelting characteristic. Moreover, Raman spectra results indicate the increase PRD reduces the depolymerized product Si–O–M (metal), which is mainly caused by the decreasing of network‐modifier FeO. Polymerization degree ψ ((Q3 + Q2)/(Q1 + Q0)) illustrates the high PRD is consistent with the complicated silicon network structures, especially when PRD is larger than 90%.
Systematics of aligned axions
Authors: Bachlechner Thomas C. , Eckerle Kate , Janssen Oliver , Kleban Matthew
Published: November 2017

Abstract

We describe a novel technique that renders theories of N axions tractable, and more generally can be used to efficiently analyze a large class of periodic potentials of arbitrary dimension. Such potentials are complex energy landscapes with a number of local minima that scales as

$$ \sqrt{N!} $$

N
!

, and so for large N appear to be analytically and numerically intractable. Our method is based on uncovering a set of approximate symmetries that exist in addition to the N periods. These approximate symmetries, which are exponentially close to exact, allow us to locate the minima very efficiently and accurately and to analyze other characteristics of the potential. We apply our framework to evaluate the diameters of flat regions suitable for slow-roll inflation, which unifies, corrects and extends several forms of “axion alignment” previously observed in the literature. We find that in a broad class of random theories, the potential is smooth over diameters enhanced by N
3/2 compared to the typical scale of the potential. A Mathematica implementation of our framework is available online.
Electroweak baryogenesis in the $$ {\mathbb{Z}}_3 $$-invariant NMSSM
Authors: Akula Sujeet , Balázs Csaba , Dunn Liam , White Graham
Published: November 2017

Abstract

We calculate the baryon asymmetry of the Universe in the

$$ {\mathbb{Z}}_3 $$

ℤ
3

-invariant Next-to-Minimal Supersymmetric Standard Model where the interactions of the singlino provide the necessary source of charge and parity violation. Using the closed time path formalism, we derive and solve transport equations for the cases where the singlet acquires a vacuum expectation value (VEV) before and during the electroweak phase transition. We perform a detailed scan to show how the baryon asymmetry varies throughout the relevant parameter space. Our results show that the case where the singlet acquires a VEV during the electroweak phase transition typically generates a larger baryon asymmetry, although we expect that the case where the singlet acquires a VEV first is far more common for any model in which parameters unify at a high scale. Finally, we examine the dependence of the baryon asymmetry on the three-body interactions involving gauge singlets.
Composite dark matter and Higgs
Authors: Wu Yongcheng , Ma Teng , Zhang Bin , Cacciapaglia Giacomo
Published: November 2017

Abstract

We investigate the possibility that Dark Matter arises as a composite state of a fundamental confining dynamics, together with the Higgs boson. We focus on the minimal SU(4)×SU(4)/SU(4) model which has both a Dark Matter and a Higgs candidates arising as pseudo-Nambu-Goldstone bosons. At the same time, a simple underlying gauge-fermion theory can be defined providing an existence proof of, and useful constraints on, the effective field theory description. We focus on the parameter space where the Dark Matter candidate is mostly a gauge singlet. We present a complete calculation of its relic abundance and find preferred masses between 500 GeV to a few TeV. Direct Dark Matter detection already probes part of the parameter space, ruling out masses above 1 TeV, while Indirect Detection is relevant only if non-thermal production is assumed. The prospects for detection of the odd composite scalars at the LHC are also established.
Incorporating Social Media into your Support Tool Box: Points to Consider from Genetics‐Based Communities
Authors: Rocha Heather Mae , Savatt Juliann M. , Riggs Erin Rooney , Wagner Jennifer K. , Faucett W. Andrew , Martin Christa Lese
Published: November 2017

Patients with newly‐described or rare genetic findings are turning to social media to find and connect with others. Blogs, Facebook groups, and Twitter have all been reported as tools for patients to connect with one another. However, the preferences for social media use and privacy among patients, their families, and these communities have not been well characterized. To explore preferences about privacy and membership guidelines, an online survey was administered to two web‐based patient registries, Simons Variation in Individuals Project (www.simonsvipconnect.org) and GenomeConnect (www.genomeconnect.org). Over a three‐month period, invitations were sent to 2524 individuals and 103 responses (4%) were received and analyzed. Responses indicate that Facebook is the most popular resource accessed within this sample population (99%). Participants used social media to look for information about their diagnosis or test results (83%), read posts from rare disease groups or organizations (73%), participate in conversations about their diagnosis (67%), and connect with others to find support (58%). Focusing on privacy issues in social media, respondents indicate that membership and access impact the level of comfort in sharing personal or medical information. Nearly 60% of respondents felt uncomfortable sharing photos or medical information within a public Facebook group, whereas only 12% of respondents felt uncomfortable sharing in private group targeted to families alone. Using this preliminary data concerning social media use and privacy, we developed points for genetic counselors to incorporate when discussing available support resources for patients with a new, or rare, genetic diagnosis or genetic test result. Genetic counselors are trained to provide anticipatory guidance to families adapting to new genetic information, and are well‐equipped to help patients consider their preferences about using social media as a source of information and support.
The Infection Rate of Metal-on-Metal Total Hip Replacement is Higher When Compared to Other Bearing Surfaces as Documented by the Australian Orthopaedic Association National Joint Replacement Registry
Authors: Huang Phil , Lyons Matt , O'Sullivan Michael
Published: November 2017

Background

Despite the well-documented decline in the use of metal-on-metal (MoM) implants over the last decade, there are still controversies regarding whether all MoM implants are created equally. Complications such as elevated serum metal ion levels, aseptic lymphocyte-dominated vasculitis-associated lesion (ALVAL) and pseudotumours have all been well documented, but recent studies suggest increased risk of infection with MoM bearing surfaces. Most of these studies however have small patient numbers.

Questions/Purposes

The purpose of this study was to examine the cumulative incidence of revision for infection of MoM bearing surfaces in primary hip arthroplasty at a national and single-surgeon level.

Methods

Data was collected from the Australian Orthopaedic Association National Joint Replacement Registry, which contains over 98% of all arthroplasties performed in Australia since 2001. The cumulative incidence of revision for infection was extracted at a national level and single-surgeon level.

Results

Two hundred seventy-six thousand eight hundred seventy-eight subjects were documented in the Australian registry. The 10-year cumulative percent revision for infection of MoM bearing surfaces in primary total hip replacement (THR) was 2.5% at a national level, compared to 0.8% for other bearing surfaces. The senior author contributed 1755 subjects with 7-year follow-up and a cumulative percent revision for infection of MoM bearing surfaces in primary THR of 36.9%, compared to 2.0% for other bearing surfaces. The cumulative percent of revision of MoM bearing surfaces is higher compared to other bearing surfaces; this is especially pronounced in cumulative percent of revision for infection.

Conclusion

There was a higher cumulative percent of revision for infection in MoM bearings surfaces (in particular, large-head MoM) compared to other bearing surfaces at both the national and individual-surgeon level.
AspergillussubgenusPolypaecilumfrom the built environment
Authors: Tanney J.B. , Visagie C.M. , Yilmaz N. , Seifert K.A.
Published: November 2017

Xerophilic fungi, especiallyAspergillusspecies, are prevalent in the built environment. In this study, we employed a combined culture-independent (454-pyrosequencing) and culture-dependent (dilution-to-extinction) approach to investigate the mycobiota of indoor dust collected from 93 buildings in 12 countries worldwide. High and low water activity (aw) media were used to capture mesophile and xerophile biodiversity, resulting in the isolation of approximately 9 000 strains. Among these, 340 strains representing seven putative species inAspergillussubgenusPolypaecilumwere isolated, mostly from lowered aw media, and tentatively identified based on colony morphology and internal transcribed spacer rDNA region (ITS) barcodes. Further morphological study and phylogenetic analyses using sequences of ITS, β-tubulin (BenA), calmodulin (CaM), RNA polymerase II second largest subunit (RPB2), DNA topoisomerase 1 (TOP1), and a pre-mRNA processing protein homolog (TSR1) confirmed the isolation of seven species of subgenusPolypaecilum, including five novel species:A.baarnensis,A.keratitidis,A.kalimaesp. nov.,A.noonimiaesp. nov.,A.thailandensissp. nov.,A.waynelawiisp. nov., andA.whitfieldiisp. nov. Pyrosequencing detected six of the seven species isolated from house dust, as well as one additional species absent from the cultures isolated, and three clades representing potentially undescribed species. Species were typically found in house dust from subtropical and tropical climates, often in close proximity to the ocean or sea. The presence of subgenusPolypaecilum, a recently described clade of xerophilic/xerotolerant, halotolerant/halophilic, and potentially zoopathogenic species, within the built environment is noteworthy.
Independence at the Top of the Triangle: Best Resolution of the Judicial Trilemma?
Authors: Hillman Jennifer
Published: November 2017

World Trade Organization (WTO) members have, once again, been unable to agree on the appointment of new members to the Appellate Body (AB) in a timely fashion, as one member's term expired on June 30, 2017, another member resigned in August 2017, and a third member's term will expire in December 2017, with no consensus on a process to fill those posts. The 2017 standoff follows on the heels of a fractious debate during the summer of 2016 over the United States’ decision to block the reappointment of AB member Sueng Wha Chang of Korea to a second term. Given that the AB has just seven members, the inability to quickly appoint new members to replace those whose terms have expired only adds to the difficulty of rendering decisions within the tight time frames called for in the WTO rules.
Living alone in nineteenth-century rural Italy: was there any way out?
Authors: MANFREDINI MATTEO , BRESCHI MARCO
Published: November 2017

Few studies have dealt with the issue of people living alone in pretransitional rural populations. Alone by choice or circumstances, usually poor and sometimes stigmatised, solitaries often had a hard life. This article analyses the characteristics and life-histories of people living alone in two rural villages in nineteenth-century Italy with the aim of understanding whether and how solitaries managed to find a way out from solitude. The results show that solitaries got married, joined another household, and especially emigrated more than the rest of the population, which is a strong indication of their willingness to break out of solitariness. The individuation of the demographic profile associated with such specific behaviours, namely being male, young, and widowed, allowed us also to draw some hypotheses on the role of availability and quality of social connections on the chances to escape from a solitary condition, as well as on the characteristics of migratory flows of solitaries from the countryside to the cities.
From Cultural Psychology to GeroPsychology
Authors: Valsiner Jaan
Published: November 2017

Abstract. Both geropsychology and cultural psychology have been new branches of psychology that have established their distinctive roles over the last two decades. In this article, I chart out three major perspectives within cultural psychology – theory of social representations (Serge Moscovici), dialogical self theory (Hubert Hermans), and my own cultural psychology of semiotic dynamics, and suggest some directions for their joint roles in GeroPsychology.
Müller glial microRNAs are required for the maintenance of glial homeostasis and retinal architecture
Authors: Wohl Stefanie G. , Jorstad Nikolas L. , Levine Edward M. , Reh Thomas A.
Published: November 2017

To better understand the roles of microRNAs in glial function, we used a conditional deletion of Dicer1 (Dicer-CKOMG) in retinal Müller glia (MG). Dicer1 deletion from the MG leads to an abnormal migration of the cells as early as 1 month after the deletion. By 6 months after Dicer1 deletion, the MG form large aggregations and severely disrupt normal retinal architecture and function. The most highly upregulated gene in the Dicer-CKOMG MG is the proteoglycan Brevican (Bcan) and overexpression of Bcan results in similar aggregations of the MG in wild-type retina. One potential microRNA that regulates Bcan is miR-9, and overexpression of miR-9 can partly rescue the effects of Dicer1 deletion on the MG phenotype. We also find that MG from retinitis pigmentosa patients display an increase in Brevican immunoreactivity at sites of MG aggregation, linking the retinal remodeling that occurs in chronic disease with microRNAs.
Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin
Authors: Shalev-Benami Moran , Zhang Yan , Rozenberg Haim , Nobe Yuko , Taoka Masato , Matzov Donna , Zimmerman Ella , Bashan Anat , Isobe Toshiaki , Jaffe Charles L. , Yonath Ada , Skiniotis Georgios
Published: November 2017

Leishmania is a single-celled eukaryotic parasite afflicting millions of humans worldwide, with current therapies limited to a poor selection of drugs that mostly target elements in the parasite’s cell envelope. Here we determined the atomic resolution electron cryo-microscopy (cryo-EM) structure of the Leishmania ribosome in complex with paromomycin (PAR), a highly potent compound recently approved for treatment of the fatal visceral leishmaniasis (VL). The structure reveals the mechanism by which the drug induces its deleterious effects on the parasite. We further show that PAR interferes with several aspects of cytosolic translation, thus highlighting the cytosolic rather than the mitochondrial ribosome as the primary drug target. The results also highlight unique as well as conserved elements in the PAR-binding pocket that can serve as hotspots for the development of novel therapeutics.
Lexical processing of Chinese sub-character components: Semantic activation of phonetic radicals as revealed by the Stroop effect
Authors: Yeh Su-Ling , Chou Wei-Lun , Ho Pokuan
Published: November 2017

Most Chinese characters are compounds consisting of a semantic radical indicating semantic category and a phonetic radical cuing the pronunciation of the character. Controversy surrounds whether radicals also go through the same lexical processing as characters and, critically, whether phonetic radicals involve semantic activation since they can also be characters when standing alone. Here we examined these issues using the Stroop task whereby participants responded to the ink color of the character. The key finding was that Stroop effects were found when the character itself had a meaning unrelated to color, but contained a color name phonetic radical (e.g., "Image missing" “guess”, with the phonetic radical "Image missing" “cyan”, on the right) or had a meaning associated with color (e.g., "Image missing" “pity”, with the phonetic radical "Image missing" “blood” on the right which has a meaning related to “red”). Such Stroop effects from the phonetic radical within a character unrelated to color support that Chinese character recognition involves decomposition of characters into their constituent radicals; with each of their meanings including phonetic radicals activated independently, even though it would inevitably interfere with that of the whole character. Compared with the morphological decomposition in English whereby the semantics of the morphemes are not necessarily activated, the unavoidable semantic activation of phonetic radicals represents a unique feature in Chinese character processing.