bluuebunny/crossref_metadata_2025_split huggingface dataset:
Orthogonal 19F‐Labeling for Solid‐State NMR Spectroscopy Reveals the Conformation and Orientation of Short Peptaibols in Membranes
Authors: Grage Stephan L. , Kara Sezgin , Bordessa Andrea , Doan Véronique , Rizzolo Fabio , Putzu Marina , Kubař Tomáš , Papini Anna Maria , Chaume Grégory , Brigaud Thierry , Afonin Sergii , Ulrich Anne S. 
Published: January 2018

AbstractPeptaibols are promising drug candidates in view of their interference with cellular membranes. Knowledge of their lipid interactions and membrane‐bound structure is needed to understand their activity and should be, in principle, accessible by solid‐state NMR spectroscopy. However, their unusual amino acid composition and noncanonical conformations make it very challenging to find suitable labels for NMR spectroscopy. Particularly in the case of short sequences, new strategies are required to maximize the structural information that can be obtained from each label. Herein, l‐3‐(trifluoromethyl)bicyclopent[1.1.1]‐1‐ylglycine, (R)‐ and (S)‐trifluoromethylalanine, and 15N‐backbone labels, each probing a different direction in the molecule, have been combined to elucidate the conformation and membrane alignment of harzianin HK‐VI. For the short sequence of 11 amino acids, 12 orientational constraints have been obtained by using 19F and 15N NMR spectroscopy. This strategy revealed a β‐bend ribbon structure, which becomes realigned in the membrane from a surface‐parallel state towards a membrane‐spanning state, with increasing positive spontaneous curvature of the lipids.
Branch‐Like Iron Nitride and Carbide Magnetic Fibres Using an Electrospinning Technique
Authors: García‐Márquez Alfonso , Glatzel Stefan , Kraupner Alexander , Kiefer Klaus , Siemensmeyer Konrad , Giordano Cristina 
Published: January 2018

AbstractFe3N and Fe3C nanocomposites have a wide range of applications thanks to their ceramic nature, magnetic properties, conductivity and catalytic activity, just to cite some. In many fields optimal performances are ensured by crystallinity, homogeneity and hierarchical organization. In the present paper, crystalline, magnetic and well‐defined nanofibres of iron nitride and iron carbide/carbon nanocomposite with tunable composition and size were prepared via electrospinning. The starting polymeric material was directly electrospun into fibres and then calcined, leading to a highly homogeneous final product of nanoparticles along the fibres (both outside and inside). A mechanistic study was undertaken and here discussed. The magnetic properties of the as‐prepared nanofibres were also studied. The as‐prepared final fibre mat composite material can serve as active catalyst, for example, in oxygen reduction reaction (where nanofibres outperformed mere nanoparticles), it can serve as functional support for classical catalytic processes or, thanks to its magnetic properties, can be applied in magnetic‐field assisted separation or as magneto‐active membranes.
An internal penalty discontinuous Galerkin method for simulating conjugate heat transfer in a closed cavity
Authors: Cai Z. , Thornber B. 
Published: January 2018

SummaryUsing the discontinuous Galerkin (DG) method for conjugate heat transfer problems can provide improved accuracy close to the fluid‐solid interface, localizing the data exchange process, which may further enhance the convergence and stability of the entire computation. This paper presents a framework for the simulation of conjugate heat transfer problems using DG methods on unstructured grids. Based on an existing DG solver for the incompressible Navier‐Stokes equation, the fluid advection‐diffusion equation, Boussinesq term, and solid heat equation are introduced using an explicit DG formulation. A Dirichlet‐Neumann partitioning strategy has been implemented to achieve the data exchange process via the numerical flux of interface quadrature points in the fluid‐solid interface. Formal h and p convergence studies employing the method of manufactured solutions demonstrate that the expected order of accuracy is achieved. The algorithm is then further validated against 3 existing benchmark cases, including a thermally driven cavity, conjugate thermally driven cavity, and a thermally driven cavity with conducting solid, at Rayleigh numbers from 1000 to 100 000. The computational effort is documented in detail demonstrating clearly that, for all cases, the highest‐order accurate algorithm has several magnitudes lower error than first‐ or second‐order schemes for a given computational effort.
Functional connectivity predicts gender: Evidence for gender differences in resting brain connectivity
Authors: Zhang Chao , Dougherty Chase C. , Baum Stefi A. , White Tonya , Michael Andrew M. 
Published: January 2018

AbstractPrevalence of certain forms of psychopathology, such as autism and depression, differs between genders and understanding gender differences of the neurotypical brain may provide insights into risk and protective factors. In recent research, resting state functional magnetic resonance imaging (rfMRI) is widely used to map the inherent functional networks of the brain. Although previous studies have reported gender differences in rfMRI, the robustness of gender differences is not well characterized. In this study, we use a large data set to test whether rfMRI functional connectivity (FC) can be used to predict gender and identify FC features that are most predictive of gender. We utilized rfMRI data from 820 healthy controls from the Human Connectome Project. By applying a predefined functional template and partial least squares regression modeling, we achieved a gender prediction accuracy of 87% when multi‐run rfMRI was used. Permutation tests confirmed that gender prediction was reliable (
). Effects of motion, age, handedness, blood pressure, weight, and brain volume on gender prediction are discussed. Further, we found that FC features within the default mode (DMN), fronto‐parietal and sensorimotor networks contributed most to gender prediction. In the DMN, right fusiform gyrus and right ventromedial prefrontal cortex were important contributors. The above regions have been previously implicated in aspects of social functioning and this suggests potential gender differences in social cognition mediated by the DMN. Our findings demonstrate that gender can be reliably predicted using rfMRI data and highlight the importance of controlling for gender in brain imaging studies.
Material dependent fretting corrosion in spinal fusion devices: Evaluation of onset and long‐term response
Authors: Singh Vaneet , Shorez Jacob P. , Mali Sachin A. , Hallab Nadim J. , Gilbert Jeremy L. 
Published: January 2018

AbstractPosterior spinal fusion implants include number of interconnecting components, which are subjected to micromotion under physiological loading conditions inducing a potential for fretting corrosion. There is very little known about the fretting corrosion in these devices in terms of the minimum angular displacement (threshold) necessary to induce fretting corrosion or the amount of fretting corrosion that can arise during the life of the implant. Therefore, the first goal was to evaluate the threshold fretting corrosion in three anatomical orientations and second the long‐term fretting corrosion for the three different material types of spinal implants under physiological loading conditions. In threshold test, axial rotation exhibited highest changes in open circuit potential (VOCP in mV) and induced fretting currents (Ifrett in µA) for cobalt chrome (ΔVOCP: 24.71 ± 5.53; ΔIfrett: 4.03 ± 0.51) and stainless steel (ΔVOCP: 28.21 ± 6.97; ΔIfrett: 2.98 ± 0.42) constructs whereas it was flexion‐extension for titanium constructs (ΔVOCP: 4.51 ± 2.48; ΔIfrett: 0.38 ± 0.12). Long‐term test indicated that the titanium (VOCP:101 ± 0.06; Ifrett: 0.07 ± 0.02) and cobalt chrome (VOCP: 140.67 ± 0.04; Ifrett: 0.12 ± 0.05) constructs were more resistant to the fretting corrosion compared to stainless steel (VOCP: −135.33 ± 0.31; Ifrett: 2.63 ± 1.06). © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 2858–2868, 2018.
Fasudil alleviates pressure overload‐induced heart failure by activating Nrf2‐mediated antioxidant responses
Authors: Guan Peng , Liang Yingran , Wang Na 
Published: January 2018

AbstractThe RhoA/Rho‐kinase cascade plays an important role in many aspects of cardiovascular function. This study aims to investigate the protective effects of fasudil, a Rho‐kinase inhibitor, on pressure overload induced heart failure in rats. Pressure overload induced heart failure was induced in SD rats by banding the abdominal aorta for 8 weeks. The rats were divided into four groups: Sham, TAC, TAC plus low dose of fasudil, and TAC plus high dose of fasudil group. Low dose and high dose fasudil were 5 and 10 mg/kg/day, respectively. Rats in the Sham and TAC groups were treated with vehicle. Fasudil effectively inhibited TAC‐induced heart failure, as evaluated by echocardiography and transmission electron microscopy. Fasudil could significantly promote superoxide dismutase (SOD), catalase (CAT), and glutathione peroxidase (GPx) activity and significantly decrease malondialdehyde (MDA) content in a dose‐dependent maner in TAC rats. Consistently, fasudil evoked significant nuclear translocation of Nuclear factor (erythroid‐derived 2)‐like 2 (Nrf2) with increased DNA/promoter binding and transactivation of Nrf2 targets. In addition, fasudil increased the content of iron as well as transferrin receptor 1 (TfR1) in TAC rats. A mild oxidative stress induced by iron may activate the antioxidant enzymes by feedback response. Taken together, these results indicate that the protective effect of fasudil may be due to its strong antioxidative activities which related with the activated Nrf2 and its down‐regulated genes. These findings provide a new treatment concept and support the benefit of fasudil treatment in heart failure.
A molecular dynamics investigation into the mechanisms of alectinib resistance of three ALK mutants
Authors: He Muyang , Li Weikang , Zheng Qingchuan , Zhang Hongxing 
Published: January 2018

AbstractAlectinib, a highly selective next‐genetation anaplastic lymphoma kinase (ALK) inhibitor, has demonstrated promising antitumor activity in patients with ALK‐positive non‐small cell lung carcinomas (NSCLC). However, the therapeutic benefits of alectinib is inescapably hampered by the development of acquired resistant mutations in ALK. Despite the availability of ample experimental mutagenesis data, the molecular origin and the structural motifs under alectinib binding affinity deficiencies are still ambiguous. Here, molecular dynamics (MD) simulations and molecular mechanics generalized born surface area (MM‐GBSA) calculation approaches were employed to elucidate the mechanisms of alectinib resistance induced by the mutations I1171N, V1180L, and L1198F. The MD results reveal that the studied mutations could trigger the dislocation of alectinib as well as conformational changes at the inhibitor binding site, thus induce the interactional changes between alectinib and mutants. The most influenced regions are the ligand binding entrance and the hinge region, which are considered to be the dominant binding motifs accounting for the binding affinity loss in mutants. The “key and lock mechanism” between the ethyl group at position 9 of alectinib and a recognition cavity in the hinge region of ALK is presented to illustrate the major molecular origin of drug resistance. Our results provide mechanistic insight into the effect of ALK mutations resistant to alectinib, which could contribute to further rational design of inhibitors to combat the acquired resistance.
Therapeutic action and aesthetic experience: Resonance and reorganization
Authors: Wexler Joan 
Published: January 2018

AbstractIs there an aesthetic dimension to therapeutic action? The author proposes that while the arts, in this example, dance, can serve as a bridge to give form and expression to the ineffable for both the artist and the observer, language, especially metaphorical language, in the context of a resonating therapeutic relationship, similarly gives form and enhanced meaning to what has been felt but not yet understood. Even if the content is painful, the process of mutually creating a common language that reorganizes the mind is aesthetically pleasing.
Growth rings in roots of medicinal perennial dicotyledonous herbs from temperate and subtropical zones in China
Authors: Chu Shanshan , Tan Lingling , Liu Chanchan , Peng Huasheng , Duan Haiyan , Huang Luqi 
Published: January 2018

AbstractGrowth years are closely related to the quality of Chinese medicinal materials, and they can provide a reliable basis for quality evaluation on crude drugs in accordance with the suitable growth years. Herbchronology, the numerical and pattern analysis of annual growth rings in herbaceous perennials, has emerged to be a recognized science that is applied in age determination of perennial forbs. Fifty medicinal species growing in temperate and subtropical zones of China were examined by microstructure observation to determine the presence of growth rings in the secondary root xylem of medicinal perennial dicotyledonous herbs. Nearly half of the surveyed species showed clearly or relatively clearly demarcated growth rings in their roots, and additional anatomical patterns have been observed in different species. Clear variations in growth rings of different genus or species were characterized in this study, and these findings proved the feasibility of applying herbaceous plant growth rings in age identification of traditional Chinese medicine.
Revisiting Microcredit's Poverty‐Reducing Promise: Evidence from Cambodia
Authors: Seng Kimty 
Published: January 2018

AbstractThis article analyses the effects of microcredit offered by microfinance institutions on household poverty in terms of household food consumption, with data from the Cambodia Socio‐Economic Survey conducted in 2014. The analysis is carried with an endogenous switching model accounting for endogenous selection bias resulting from unobservable confounders and for inherent differences between household borrowers and non‐borrowers in terms of food consumption functions. The results suggest that households, whether extremely poor, relatively poor or non‐poor, which take out microcredit, get worse off in terms of household food consumption per capita. Copyright © 2018 John Wiley & Sons, Ltd.
Stainless steel wear debris of a scoliotic growth guidance system has little local and systemic effect in an animal model
Authors: Singh Vaneet , Rawlinson Jeremy , Hallab Nadim 
Published: January 2018

ABSTRACTOptions to treat early‐onset scoliosis include guided‐growth systems with sliding action between rods and pedicle screws. The wear was previously measured in an in vitro test, and in this in vivo rabbit model, we evaluated the local and systemic biological response to the stainless steel debris. Compared to the previous study, a relatively higher volume of representative wear particles with a median particle size of 0.84 μm were generated. Bolus dosages were injected into the epidural space at L4‐L5 for a minimum of 36 rabbits across three treatment groups (negative control, 1.5 mg, and 4.0 mg) and two timepoints (12 and 24 weeks). Gross pathology evaluated distant organs and the injection site with a dorsal laminectomy to examine the epidural space and dosing site. Peri‐implanted particle tissues were stained for immunohistochemical and quantitatively analyzed for IL‐6 and TNF‐α cytokines. Based on ISO 10993‐6:2007 scoring, particles in the high‐dose group were primarily non‐irritant (12 weeks) with one slightly irritant. At 24 weeks, inflammatory cell infiltration was non‐existent to minimal with all groups considered non‐irritant at the injection site. Material characterization confirmed that particles detected in distant organs were stainless steel or contaminants. At 12 weeks, stainless steel groups demonstrated statistically increased amounts of cytokine levels compared to control but there was a statistical decrease for both at 24 weeks. These findings indicate that stainless steel wear debris, comparable to the expected usage from a simulated growth guidance system, had no discernible untoward biological effects locally and systemically in an animal model. © 2018 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:1980–1990, 2018.
Characterization of Natural Rubber End Groups Using High‐Sensitivity NMR
Authors: Kitaura Takehiro , Kobayashi Masatoshi , Tarachiwin Lucksanaporn , Kum‐ourm Hathainat , Matsuura Ai , Fushihara Kazuhisa , Ute Koichi 
Published: January 2018

AbstractThe chemical structures of natural rubber (NR) end groups are investigated by combining chemical treatments and sensitivity‐enhanced modern nuclear magnetic resonance (NMR) spectroscopy instruments equipped with a cryoprobe. The obtained 1H NMR spectrum of the α‐end has improved signal intensity than that obtained with conventional instruments, as well as clearer splitting patterns due to the higher resolution given by the higher magnetic field. Through the 1H/13C 2D NMR experiments and the 1D NMR spectra of the model compounds, four types of α‐end structures are suggested. Two structures among them are considered related to those of mushroom‐derived NR found in the literature, whereas the others are not recognized to date. Solid‐state 31P cross‐polarization/magic angle spinning (CP/MAS) NMR is also carried out to detect the phosphate group around the terminal.
Improvement of the salvage‐rate of flap after venous thrombosis with intraparenchymatous venous pressure monitoring
Authors: Matsumine Hajime , Mogami Mariko , Fujiwara Osamu , Hasegawa Masahiro , Ito Hiroshi , Sakurai Hiroyuki 
Published: January 2018

PurposeIntraparenchymatous venous pressure (IVP) monitoring in flap can measure venous pressure with catheter placement. Among patients with IVP monitoring, this study reviewed postoperative microvascular complications for investigating the transplanted‐tissue salvage‐rate.Patients and MethodsTwo hundred and seventy‐one patients (male, 132; female, 139; mean age, 52.3 years; age range, 9–82 years) underwent free flap transfer and postoperative continuous IVP monitoring, which performed as follows; a venous catheter was connected to a transducer, and venous pressure in the flap was recorded for three consecutive days postoperatively. The threshold of alarm for elevated venous pressure was set at 50 mm Hg. When abnormal measurements or fluctuation were observed, the vascular anastomotic site was exposed immediately. The flap salvage‐rate of non‐IVP monitoring group (n = 393; male, 305; female, 81; mean age, 61.3 years; age range, 23–83 years), which were confirmed by a portable ultrasonographic device, was compared with that of IVP‐monitoring group.ResultsTwenty‐one patients developed postoperative microvascular complications at the vascular anastomosis sites. Sensitivity rate of IVP monitoring was 86%; specificity rate, 96%; positive predictive value rates, 64%; negative predictive value rate, 99%; false positive rate, 4%. The flap salvage‐rate was 83% in venous thrombosis cases and only 33% in arterial thrombosis cases. In non‐IVP monitoring group, flap salvage‐rate was 20% with arterial thrombosis and 36% with venous thrombosis, resulting in an increasing the salvage‐rate (P = .021).ConclusionsIVP monitoring could visualize and quantify venous pressure waves in flap and detect early microvascular complications, resulting in a marked improvement in the graft‐tissue salvage‐rate.
MR and CT data with multiobserver delineations of organs in the pelvic area—Part of the Gold Atlas project
Authors: Nyholm Tufve , Svensson Stina , Andersson Sebastian , Jonsson Joakim , Sohlin Maja , Gustafsson Christian , Kjellén Elisabeth , Söderström Karin , Albertsson Per , Blomqvist Lennart , Zackrisson Björn , Olsson Lars E. , Gunnlaugsson Adalsteinn 
Published: January 2018

PurposeWe describe a public dataset with MR and CT images of patients performed in the same position with both multiobserver and expert consensus delineations of relevant organs in the male pelvic region. The purpose was to provide means for training and validation of segmentation algorithms and methods to convert MR to CT like data, i.e., so called synthetic CT (sCT).Acquisition and validation methodsT1‐ and T2‐weighted MR images as well as CT data were collected for 19 patients at three different departments. Five experts delineated nine organs for each patient based on the T2‐weighted MR images. An automatic method was used to fuse the delineations. Starting from each fused delineation, a consensus delineation was agreed upon by the five experts for each organ and patient. Segmentation overlap between user delineations with respect to the consensus delineations was measured to describe the spread of the collected data. Finally, an open‐source software was used to create deformation vector fields describing the relation between MR and CT images to further increase the usability of the dataset.Data format and usage notesThe dataset has been made publically available to be used for academic purposes, and can be accessed from https://zenodo.org/record/583096.Potential applicationsThe dataset provides a useful source for training and validation of segmentation algorithms as well as methods to convert MR to CT‐like data (sCT). To give some examples: The T2‐weighted MR images with their consensus delineations can directly be used as a template in an existing atlas‐based segmentation engine; the expert delineations are useful to validate the performance of a segmentation algorithm as they provide a way to measure variability among users which can be compared with the result of an automatic segmentation; and the pairwise deformably registered MR and CT images can be a source for an atlas‐based sCT algorithm or for validation of sCT algorithm.
Femtosecond laser writing of PPV‐doped three‐dimensional polymeric microstructures
Authors: Avila Oriana Ines , Tomazio Nathália Beretta , Otuka Adriano Jose Galvani , Stefanelo Josiani Cristina , Andrade Marcelo Barbosa , Balogh Debora Terezia , Mendonca Cleber Renato 
Published: January 2018

ABSTRACTPoly(para‐phenylene vinylene) (PPV) is a key material for optoelectronics because it combines the potential of both polymers and semiconductors. PPV has been synthesized via solution‐processable precursor route, in which the precursor polymer poly(xylene tetrahydrothiophenium chloride) (PTHT) is thermally converted to PPV throughout the sample as a whole. Much effort has been devoted to fulfill spatial selectivity of PPV conversion. However, none of the methods proposed stand for PPV conversion three dimensionally, which would be appealing for the design of microdevices. Here, we demonstrate the potential of fs‐laser direct writing via two‐photon polymerization (2PP) to fabricate PPV‐doped 3D microstructures. PTHT is incorporated into the polymeric material and it is subsequently converted to PPV through a thermal treatment. Optical measurements, taken prior and after thermal conversion, confirm the PTHT to PPV conversion. Fs‐laser direct writing via 2PP can be exploited to fabricate a variety of 3D microdevices, thus opening new avenues in polymer‐based optoelectronics. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 479–483