bluuebunny/crossref_metadata_2025_split huggingface dataset:
Octahedral [Pd6L8]12+ Metallosupramolecular Cages: Synthesis, Structures and Guest‐Encapsulation Studies
Authors: Kim Tae Y. , Digal Lori , Gardiner Michael G. , Lucas Nigel T. , Crowley James D. 
Published: September 2017

AbstractFour planar tripyridyl ligands (Ltripy), 1,3,5‐tris(pyridin‐3‐ylethynyl)benzene 1 a, 1,3,5‐tris[4‐(3‐pyridyl)phenyl]benzene 2 a, and the hexyloxy chain functionalized derivatives 1,3,5‐tris[(3‐hexyloxy‐5‐pyridyl)ethynyl]benzene 1 b, and 1,3,5‐tris[4‐(3‐hexyloxy‐5‐pyridyl)phenyl]benzene 2 b, were synthesized and used to generate a family of [Pd6(Ltripy)8](BF4)12 octahedral cages (Ltripy=1 a, b or 2 a, b). The ligands and cages were characterized using a combination of 1H, 13C, and DOSY nuclear magnetic resonance (NMR) spectroscopy, high resolution electrospray mass spectrometry (HR‐ESI‐MS), infrared (IR) spectroscopy, elemental analysis, and in three cases, X‐ray crystallography. The molecular recognition properties of the cages with neutral and anionic guests were examined, in dimethyl sulfoxide (DMSO), using NMR spectroscopy, mass spectrometry and molecular modeling. No binding was observed with simple aliphatic and aromatic guest molecules. However, anionic sulfonates were found to interact with the octahedral cages and the binding interaction was size selective. The smaller [Pd6(1 a, b)8]12+ cages were able to interact with three p‐toluenesulfonate guest molecules while the larger [Pd6(2 a, b)8]12+ systems could host four of the anionic guest molecules. To probe the importance of the hydrophobic effect, a mixed water–DMSO (1:1) solvent system was used to reexamine the binding of the neutral organic guests adamantane, anthracene, pyrene and 1,8‐naphthalimide within the cages. In this solvent system all the guests except adamantane were observed to bind within the cavities of the cages. NMR spectroscopy and molecular modeling indicated that the cages bind multiple copies of the individual guests (between 3–6 guest molecules per cage).
Auxiliary‐Directed C(sp3)−H Arylation by Synergistic Photoredox and Palladium Catalysis
Authors: Czyz Milena L. , Lupton David W. , Polyzos Anastasios 
Published: September 2017

AbstractHerein we describe the auxiliary‐directed arylation of unactivated C(sp3)−H bonds with aryldiazonium salts, which proceeds under synergistic photoredox and palladium catalysis. The site‐selective arylation of aliphatic amides with α‐quaternary centres is achieved with high selectivity for β‐methyl C(sp3)−H bonds. This operationally simple method is compatible with carbocyclic amides, a range of aryldiazonium salts and proceeds at ambient conditions.
Three New Chromone Derivatives Produced by Phomopsis sp. HNY29‐2B from Acanthus ilicifolius Linn.
Authors: Ding Bo , Wang Zhiyuan , Xia Guoping , Huang Xishan , Xu Fang , Chen Wenrui , She Zhigang 
Published: September 2017

AbstractThree new chromone derivatives, phomochromenones A‐C (1–3), and one known chaetocyclinone B (4) were obtained from the cultures of Phomopsis sp. HNY29‐2B isolated from the mangrove Acanthus ilicifolius Linn., which was collected from the South China Sea. Their structures were determined by the analysis of 1D NMR and 2D NMR as well as mass spectroscopic data. The absolute configurations of 1 and 2 were assigned by quantum chemical calculations of the electronic circular dichroism (ECD) spectra. Compound 3 is the third example of alkaloids possessing the unique chromeno [3,2‐c] pyridine nucleus. In the bioactivity assay, compound 4 showed cytotoxicity against human prostate cancer cell lines (PC‐3 and DU145 cells) with the IC50 values of 8.13 and 3.59 µmol/L, respectively.
Ultrathin Colloidal Quantum Dot Films for Optical Amplification: The Role of Modal Confinement and Heat Dissipation
Authors: Koh Weon‐kyu , Lee Jaesoong , Cho Kyung‐Sang , Roh Young‐Geun 
Published: September 2017

AbstractWe demonstrate optical pumping lasers based on colloidal quantum dots, with a very thin geometry consisting of a ≈20 nm thick film. Obstacles in ultrasmall laser devices come from the limitation of gain materials and the size of cavities for lasing modes, which requires a minimum thickness of the gain media (typically greater than 50–100 nm). Here we introduce dielectric waveguide structures with a high refractive index, in order to reduce the thickness of quantum dot gain media as well as their threshold energy (≈39 % compared to the original gain medium). Finite‐difference time‐domain simulations show that the modal confinement factor of thinner quantum dot films can be improved by the presence of an adjacent waveguide layer. We also discuss the possible role of dielectric waveguide layers for efficient heat dissipation during optical pumping. Integrating an extremely thin colloidal quantum dot gain medium into optical waveguides is a promising platform for downscaling on‐chip photonic integrated devices, as well as investigating extreme interactions between light and matter such as surface plasmon–photon coupling.
Advanced monitoring and control of pharmaceutical production processes with Pichia pastoris by using Raman spectroscopy and multivariate calibration methods
Authors: Voss Jan‐Patrick , Mittelheuser Nina E. , Lemke Roman , Luttmann Reiner 
Published: September 2017

AbstractThis contribution includes an investigation of the applicability of Raman spectroscopy as a PAT analyzer in cyclic production processes of a potential Malaria vaccine with Pichia pastoris. In a feasibility study, Partial Least Squares Regression (PLSR) models were created off‐line for cell density and concentrations of glycerol, methanol, ammonia and total secreted protein. Relative cross validation errors RMSEcvrel range from 2.87% (glycerol) to 11.0% (ammonia). In the following, on‐line bioprocess monitoring was tested for cell density and glycerol concentration. By using the nonlinear Support Vector Regression (SVR) method instead of PLSR, the error RMSEPrel for cell density was reduced from 5.01 to 2.94%. The high potential of Raman spectroscopy in combination with multivariate calibration methods was demonstrated by the implementation of a closed loop control for glycerol concentration using PLSR. The strong nonlinear behavior of exponentially increasing control disturbances was met with a feed‐forward control and adaptive correction of control parameters. In general the control procedure works very well for low cell densities. Unfortunately, PLSR models for glycerol concentration are strongly influenced by a correlation with the cell density. This leads to a failure in substrate prediction, which in turn prevents substrate control at cell densities above 16 g/L.
A Zinc–Bromine Flow Battery with Improved Design of Cell Structure and Electrodes
Authors: Wu Maochun , Zhao Tianshou , Zhang Ruihan , Jiang Haoran , Wei Lei 
Published: September 2017

AbstractThe zinc–bromine flow battery (ZBFB) is regarded as one of the most promising candidates for large‐scale energy storage owing to its high energy density and low cost. However, because of the large internal resistance and poor electrocatalytic activity of graphite‐ or carbon‐felt electrodes, conventional ZBFBs usually can only be operated at a relatively low current density, which limits their widespread application. Herein, we propose an asymmetrical cell by replacing the conventional thick felt electrode with a thin and electrocatalytically active carbon‐paper (CP) electrode interfacing with a flow‐field structure. With the enhanced electrocatalytic activity of CP for the Br2/Br− redox reaction and the reduced internal resistance of the thinner electrode, the ZBFB with this newly proposed structure exhibits an energy efficiency of up to 83.5 % at a current density of 40 mA cm−2, much higher than that with a graphite‐felt electrode of only 73.0 %. Remarkably, the battery can even be operated at a high current density up to 100 mA cm−2 while maintaining an energy efficiency of more than 70 %, demonstrating an excellent rate capability.
A high‐order discontinuous Galerkin method for extension problems
Authors: Utz Thomas , Kummer Florian 
Published: September 2017

SummaryWe present a novel technique for solving extension problems such as the extension velocity, by reformulating the problem into an elliptic differential equation. We introduce a novel discretization using an upwind flux without any additional stabilization. This leads to a triangular matrix structure, which can be solved using a marching algorithm and high‐order accuracy, even in the presence of singularities.
Finding a subdivision of a prescribed digraph of order 4
Authors: Havet Frédéric , Maia A. Karolinna , Mohar Bojan 
Published: September 2017

AbstractThe problem of when a given digraph contains a subdivision of a fixed digraph F is considered. Bang‐Jensen et al. [4] laid out foundations for approaching this problem from the algorithmic point of view. In this article, we give further support to several open conjectures and speculations about algorithmic complexity of finding F‐subdivisions. In particular, up to five exceptions, we completely classify for which 4‐vertex digraphs F, the F‐subdivision problem is polynomial‐time solvable and for which it is NP‐complete. While all NP‐hardness proofs are made by reduction from some version of the 2‐linkage problem in digraphs, some of the polynomial‐time solvable cases involve relatively complicated algorithms.
Accumulation of advanced‐glycation end products (AGEs) accelerates arthrogenic joint contracture in immobilized rat knee
Authors: Ozawa Junya , Kaneguchi Akinori , Minamimoto Kengo , Tanaka Ryo , Kito Nobuhiro , Moriyama Hideki 
Published: September 2017

ABSTRACTJoint mobility decreases in the elderly and in diabetics, this process is thought to be caused by accumulation of advanced‐glycation end products (AGEs). Here, we aimed to elucidate the role of AGEs in joint contracture formation in rat knees. Rats were injected with ribose or saline into the knees twice weekly for 8 weeks. Pentosidine (AGE) levels were measured in the knee‐joint tissues. After serial injections, rats were subjected to unilateral knee‐joint immobilization in a flexion position for various periods. At day 21, the passive knee ranges of motions (ROMs) were measured. Knee joint histopathology were assessed, and the expression of fibrotic genes in the posterior joint capsules was examined using real‐time PCR. Ribose injection induced a 7.0‐fold increase in pentosidine levels relative to saline injection. Joint immobilization resulted in equal myogenic ROM restriction in both groups. Arthrogenic ROM restriction was greater with ribose injection in the immobilized joints (p < 0.05), but was not affected in nonimmobilized joints. Type‐I (COL1A1) and type‐III (COL3A1) collagen gene expression increased significantly in immobilized joints relative to nonimmobilized joints in the ribose group, but was not affected in the saline group. Ribose injection increased COL1A1 expression slightly and COL3A1 expression significantly in immobilized joints. Histologically, inflammatory changes appeared at day 3 of immobilization and peaked at day 7. These responses trended to be more severe and prolonged in the ribose group than in the saline group. Our data provide evidence for a causal relationship between AGEs and joint contracture formation following immobilization. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:854–863, 2018.
One‐Pot Multicomponent Synthesis of Glycopolymers through a Combination of Host–Guest Interaction, Thiol‐ene, and Copper‐Catalyzed Click Reaction in Water
Authors: Hu Xiang , Gao Jinbo , Luo Yan , Wei Ting , Dong Yishi , Chen Gaojian , Chen Hong 
Published: September 2017

AbstractThere is a common phenomenon that the heterogeneity of natural oligosaccharides contains various sugar units, which can be used to enhance affinity and selectivity toward a specific receptor, so the synthesis of heterogeneous glycopolymers is always an important issue in the glycopolymer field. Herein, this study conducts a one‐pot method to prepare polyrotaxane‐based heteroglycopolymers anchored with different sugar units and fluorescent moieties via the combination of host–guest interaction, thiol‐ene, and copper‐catalyzed click chemistry in water. Fourier transform infrared spectroscopy, nuclear magnetic resonance spectroscopy, gel permeation chromatography, X‐ray diffraction, and Ellman's assay test are used in the paper to characterize the compounds. Quartz crystal microbalance‐dissipation (QCD‐D) experiments and bacterial adhesion assay are utilized to study the interactions of polyrotaxane‐based heteroglycopolymers with Con A and Escherichia coli. The results reveal that polyrotaxanes (PRs) with mannose and glucose present better specificity toward Con A and E. coli than PRs with glucose due to synergistic effects.
Glitazone use associated with reduced risk of Parkinson's disease
Authors: Brakedal Brage , Flønes Irene , Reiter Simone F. , Torkildsen Øivind , Dölle Christian , Assmus Jörg , Haugarvoll Kristoffer , Tzoulis Charalampos 
Published: September 2017

ABSTRACTBackgroundWhether antidiabetic glitazone drugs protect against Parkinson's disease remains controversial. Although a single clinical trial showed no evidence of disease modulation, retrospective studies suggest that a disease‐preventing effect may be plausible. The objective of this study was to examine if the use of glitazone drugs is associated with a lower incidence of PD among diabetic patients.MethodsWe compared the incidence of PD between individuals with diabetes who used glitazones, with or without metformin, and individuals using only metformin in the Norwegian Prescription Database. This database contains all prescription drugs dispensed for the entire Norwegian population. We identified 94,349 metformin users and 8396 glitazone users during a 10‐year period and compared the incidence of PD in the 2 groups using Cox regression survival analysis, with glitazone exposure as a time‐dependent covariate.ResultsGlitazone use was associated with a significantly lower incidence of PD compared with metformin‐only use (hazard ratio, 0.72; 95% confidence interval, 0.55‐0.94; P = 0.01).ConclusionsThe use of glitazones is associated with a decreased risk of incident PD in populations with diabetes. Further studies are warranted to confirm and understand the role of glitazones in neurodegeneration. © 2017 The Authors. Movement Disorders published by Wiley Periodicals, Inc. on behalf of International Parkinson and Movement Disorder Society
Treatable inherited rare movement disorders
Authors: Jinnah H. A. , Albanese Alberto , Bhatia Kailash P. , Cardoso Francisco , Da Prat Gustavo , de Koning Tom J. , Espay Alberto J. , Fung Victor , Garcia‐Ruiz Pedro J. , Gershanik Oscar , Jankovic Joseph , Kaji Ryuji , Kotschet Katya , Marras Connie , Miyasaki Janis M. , Morgante Francesca , Munchau Alexander , Pal Pramod Kumar , Rodriguez Oroz Maria C. , Rodríguez‐Violante Mayela , Schöls Ludger , Stamelou Maria , Tijssen Marina , Uribe Roca Claudia , de la Cerda Andres , Gatto Emilia M. ,   for the International Parkinson's Disease Movement Disorders Society Task Force on Rare Movement Disorders
Published: September 2017

ABSTRACTThere are many rare movement disorders, and new ones are described every year. Because they are not well recognized, they often go undiagnosed for long periods of time. However, early diagnosis is becoming increasingly important. Rapid advances in our understanding of the biological mechanisms responsible for many rare disorders have enabled the development of specific treatments for some of them. Well‐known historical examples include Wilson disease and dopa‐responsive dystonia, for which specific and highly effective treatments have life‐altering effects. In recent years, similarly specific and effective treatments have been developed for more than 30 rare inherited movement disorders. These treatments include specific medications, dietary changes, avoidance or management of certain triggers, enzyme replacement therapy, and others. This list of treatable rare movement disorders is likely to grow during the next few years because a number of additional promising treatments are actively being developed or evaluated in clinical trials. © 2017 International Parkinson and Movement Disorder Society
Chemical shift encoding (CSE) for sensitive fluorine‐19 MRI of perfluorocarbons with complex spectra
Authors: van Heeswijk Ruud B. , Colotti Roberto , Darçot Emeline , Delacoste Jean , Pellegrin Maxime , Piccini Davide , Hernando Diego 
Published: September 2017

PurposeTo implement a fluorine‐19 (19F) chemical shift encoding (CSE) approach for the sensitive imaging of molecules with multi‐resonance spectra to remove their chemical shift displacement (CSD) artifacts, and to characterize its sensitivity versus established pulse sequences.MethodsThe feasibility of CSE spoiled gradient echo (GRE) and balanced steady‐state free precession (bSSFP) was first demonstrated in a phantom study. The dependence of the sensitivity of CSE‐bSSFP on several pulse sequence parameters was then established, after which the occurrence of out‐of‐plane excitation was assessed for 2D and 3D techniques. Next, the sensitivity (in mm−3s−0.5) of both CSE techniques was compared to bSSFP ultrashort echo time (bSSFP‐UTE) imaging and multi‐chemical‐shift‐selective turbo spin echo (MCSS‐TSE) in a second phantom study. Finally, the sensitivity of the CSE‐bSSFP, bSSFP‐UTE, and MCSS‐TSE pulse sequences was compared in a preliminary in vivo mouse study.ResultsBoth CSE approaches were successfully implemented and resulted in negligible residual CSD artifacts, while large‐volume 3D acquisitions should be considered to reduce problems related to out‐of‐plane excitation. CSE–bSSFP was shown to have a higher sensitivity than the bSSFP‐UTE and MCSS‐TSE pulse sequences (15.8 ± 1.3 vs. 11.7 ± 1.0 vs. 13.3 ± 0.9 mm−3s−0.5, respectively, P < 0.001), whereas CSE‐GRE technique had a lower sensitivity (4.8 ± 1.1 mm−3s−0.5).ConclusionCSE 19F MR imaging enables the unambiguous visualization of compounds with complex spectra, and provides high sensitivity both in vitro and in vivo. Magn Reson Med 79:2724–2730, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
Z‐spectrum appearance and interpretation in the presence of fat: Influence of acquisition parameters
Authors: Zhang Shu , Keupp Jochen , Wang Xinzeng , Dimitrov Ivan , Madhuranthakam Ananth J. , Lenkinski Robert E. , Vinogradov Elena 
Published: September 2017

PurposeChemical exchange saturation transfer (CEST) MRI is increasingly evolving from brain to body applications. One of the known problems in the body imaging is the presence of strong lipid signals. Although their influence on the CEST effect is acknowledged, there was no study that focuses on the interplay among echo time, fat fraction, and Z‐spectrum. This study strives to address these points, with the emphasis on the application in the breast.MethodsZ‐spectra were simulated in phase and out of phase of the main fat peak at −3.4 ppm, with the fat fraction varying from 0 to 100%. The magnetization transfer ratio asymmetry in two ranges, centering at the exchanging pool and at 3.5 ppm approximately opposite the nonexchanging fat pool, were calculated and were plotted against fat fraction. The results were verified in phantoms and in vivo.ResultsThe results demonstrate the combined influence of fat fraction and echo time on the Z‐spectrum for gradient echo based CEST acquisitions. The influence is straightforward in the in‐phase images, but it is more complicated in the out‐of‐phase images, potentially leading to erroneous CEST contrast.ConclusionsThis study provides a basis for understanding the origin and appearance of lipid artifacts in CEST imaging, and lays the foundation for their efficient removal. Magn Reson Med 79:2731–2737, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
Early follow‐up of lung disease in infants with cystic fibrosis using the raised volume rapid thoracic compression technique and computed tomography during quiet breathing
Authors: Gauthier Rémi , Cabon Yann , Giroux‐Metges Marie Agnes , Du Boisbaudry Cecile , Reix Phillipe , Le Bourgeois Muriel , Chiron Raphael , Molinari Nicolas , Saguintaah Magali , Amsallem Francis , Matecki Stefan 
Published: September 2017

AbstractBackgroundAmong the different techniques used to monitor lung disease progression in infants with CF diagnosed by Newborn screening (NBS), raised volume‐rapid thoracic compression (RVRTC) remains a promising tool. However, the need of sedation and positive pressure ventilation considerably limits its clinical use. We recently described a semi‐quantitative method to evaluate air trapping by chest tomography during quite breathing without sedation (CTqb score). This parameter is the radiological sign of airway obstruction and could be also used for lung disease follow‐up in infants with CF. However, its discriminative power compared with RVRTC and correlation with lung function parameters are not known.ObjectivesTo compare the discriminative powers of the CTqb score and RVRTC parameters and to determine their correlation during the first year of life of infants with CF.MethodsIn this multicenter longitudinal study, infants with CF diagnosed by NBS underwent RVRTC and CT during quite breathing at 10 ± 4 weeks (n = 30) and then at 13 ± 1 months of age (n = 28).ResultsAll RVRTC parameters and the CTqb score remained stable between evaluations. The CTqb score showed a higher discriminative power than forced expiratory volume in 0.5 s (FEV0.5; the main RVRTC parameter) at both visits (66% and 50% of abnormal values vs 30% and 28%, respectively). No correlation was found between CTqb score and, the different RVRTC parameters or the plethysmographic functional residual capacity, indicating that they evaluate different aspect of CF lung disease.
Measurement and Modelling of Pyrotechnic Time Delay Burning Rates: Method and Model Development
Authors: Montgomery Yolandi C. , Focke Walter W. , Kelly Cheryl 
Published: September 2017

AbstractThe burning rates of a slow reacting Mn+Sb2O3 and a fast reacting Si+Pb3O4 time delay composition, filled into lead tubes, were measured with an infrared camera, with two thermocouples and in the form of a fully assembled detonator. The infrared camera method returned values that were on average about 12 % lower than those recorded for the detonators. The temperature profiles measured for the slow burning elements were fully developed, whereas those obtained for the fast burning Si+Pb3O4 elements were not. A numerical model was developed to simulate the Mn+Sb2O3 system. Kinetic parameters were determined by least square fits to the recorded surface temperature profiles. The model made it possible to determine the effect of various property variations on the burning rate. The thermal conductivity of the delay composition was found to have the smallest impact and the heat of reaction the largest effect.