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https://www.readbyqxmd.com/read/28453935/synthesis-of-trialkylhydroxylamines-by-stepwise-reduction-of-o-acyl-n-n-disubstituted-hydroxylamines-substituent-effects-on-the-reduction-of-o-1-acyloxyalkyl-hydroxylamines-and-on-the-conformational-dynamics-of-n-alkoxypiperidines
#1
Sandeep Dhanju, Brendan W Blazejewski, David Crich
The influence of the electron-withdrawing azide group on the reduction of O-(1-acyloxy-ω-azido)hydroxylamines by triethylsilane in the presence of boron trifluoride etherate is studied and found to increase with increasing proximity to the reaction site, suggesting that the reaction proceeds by way of aminoxocarbenium ion intermediates. The ability to carry azides through the reaction sequence affords O-(ω-azidoalkyl-N,N-dialkylhydroxylamines thereby making such functionality available for use in click chemistry...
April 28, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28447676/excited-state-e-%C3%A2-z-photoisomerization-mechanism-unveiled-by-ab-initio-nonadiabatic-molecular-dynamics-simulation-for-hemithioindigo-hemistilbene
#2
Meihong Yang, Chunyan Huo, Anyang Li, Yibo Lei, Le Yu, Chaoyuan Zhu
The Zhu-Nakamura formulas based on on-the-fly trajectory surface hopping dynamics simulations at the two-state-averaged CASSCF level were employed to investigate the E → Z photoisomerization mechanisms of hemithioindigo-hemistilbene (HTI) upon S1 excitation. Seven conical intersections were observed along the isomerization pathways, which were composed of double bond torsion, benzene ring torsion, inversion and pyramidalization motions, and only three of them were found to play a role in the dynamics simulations started at S1E-HTI...
April 27, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28442762/first-you-need-a-gestalt-an-interaction-of-bottom-up-and-top-down-streams-during-the-perception-of-the-ambiguously-rotating-human-walker
#3
Alexander Pastukhov
Our visual system combines sensory evidence with prior knowledge to produce a representation of an outside world. Here, we explored the limits of the feedforward computation using an ambiguously rotating human biological motion. Specifically, we investigated whether an overall rotation, which was added to all the displays used in the study, would be perceived when the point-light walker was presented upside-down, a condition that typically obliterates perception of a human Gestalt. We report that inversion of the point-light walker or the absence of an identifiable Gestalt abolished the perception of an overall rotation...
April 25, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28441601/improving-understanding-of-mixed-land-use-watershed-suspended-sediment-regimes-mechanistic-progress-through-high-frequency-sampling
#4
Elliott Kellner, Jason A Hubbart
Given the importance of suspended sediment to biogeochemical functioning of aquatic ecosystems, and the increasing concern of mixed-land-use effects on pollutant loading, there is an urgent need for research that quantitatively characterizes spatiotemporal variation of suspended sediment dynamics in contemporary watersheds. A study was conducted in a representative watershed of the central United States utilizing a nested-scale experimental watershed design, including five gauging sites (n=5) partitioning the catchment into five sub-watersheds...
April 22, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28440282/understanding-the-rising-phase-of-the-pm2-5-concentration-evolution-in-large-china-cities
#5
Baolei Lv, Jun Cai, Bing Xu, Yuqi Bai
Long-term air quality observations are seldom analyzed from a dynamic view. This study analyzed fine particulate matter (PM2.5) pollution processes using long-term PM2.5 observations in three Chinese cities. Pollution processes were defined as linearly growing PM2.5 concentrations following the criteria of coefficient of determination R(2) > 0.8 and duration time T ≥ 18 hrs. The linear slopes quantitatively measured pollution levels by PM2.5 concentrations rising rates (PMRR, μg/(m(3)·hr))...
April 25, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28439521/dynamic-electronic-collimation-method-for-3-d-catheter-tracking-on-a-scanning-beam-digital-x-ray-system
#6
David A P Dunkerley, Jordan M Slagowski, Tobias Funk, Michael A Speidel
Scanning-beam digital x-ray (SBDX) is an inverse geometry x-ray fluoroscopy system capable of tomosynthesis-based 3-D catheter tracking. This work proposes a method of dose-reduced 3-D catheter tracking using dynamic electronic collimation (DEC) of the SBDX scanning x-ray tube. This is achieved through the selective deactivation of focal spot positions not needed for the catheter tracking task. The technique was retrospectively evaluated with SBDX detector data recorded during a phantom study. DEC imaging of a catheter tip at isocenter required 340 active focal spots per frame versus 4473 spots in full field-of-view (FOV) mode...
April 2017: Journal of Medical Imaging
https://www.readbyqxmd.com/read/28438365/protein-conformational-dynamics-studied-by-15-n-and-1-h-r1%C3%AF-relaxation-dispersion-application-to-wild-type-and-g53a-ubiquitin-crystals
#7
Diego F Gauto, Audrey Hessel, Petra Rovó, Vilius Kurauskas, Rasmus Linser, Paul Schanda
Solid-state NMR spectroscopy can provide site-resolved information about protein dynamics over many time scales. Here we combine protein deuteration, fast magic-angle spinning (~45-60kHz) and proton detection to study dynamics of ubiquitin in microcrystals, and in particular a mutant in a region that undergoes microsecond motions in a β-turn region in the wild-type protein. We use (15)N R1ρ relaxation measurements as a function of the radio-frequency (RF) field strength, i.e. relaxation dispersion, to probe how the G53A mutation alters these dynamics...
April 14, 2017: Solid State Nuclear Magnetic Resonance
https://www.readbyqxmd.com/read/28436878/biofeedback-for-gait-retraining-based-on-real-time-estimation-of-tibiofemoral-joint-contact-forces
#8
Claudio Pizzolato, Monica Reggiani, David J Saxby, Elena Ceseracciu, Luca Modenese, David G Lloyd
Biofeedback assisted rehabilitation and intervention technologies have the potential to modify clinically relevant biomechanics. Gait retraining has been used to reduce the knee adduction moment, a surrogate of medial tibiofemoral joint loading often used in knee osteoarthritis research. In this study we present an electromyogram-driven neuromusculoskeletal model of the lower-limb to estimate, in real-time, the tibiofemoral joint loads. The model included 34 musculotendon units spanning the hip, knee, and ankle joints...
April 18, 2017: IEEE Transactions on Neural Systems and Rehabilitation Engineering
https://www.readbyqxmd.com/read/28433033/model-for-the-alpha-and-beta-shear-mechanical-properties-of-supercooled-liquids-and-its-comparison-to-squalane-data
#9
Tina Hecksher, Niels Boye Olsen, Jeppe C Dyre
This paper presents data for supercooled squalane's frequency-dependent shear modulus covering frequencies from 10 mHz to 30 kHz and temperatures from 168 K to 190 K; measurements are also reported for the glass phase down to 146 K. The data reveal a strong mechanical beta process. A model is proposed for the shear response of the metastable equilibrium liquid phase of supercooled liquids. The model is an electrical equivalent-circuit characterized by additivity of the dynamic shear compliances of the alpha and beta processes...
April 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28428738/improved-localization-of-seizure-onset-zones-using-spatiotemporal-constraints-and-time-varying-source-connectivity
#10
Juan D Martinez-Vargas, Gregor Strobbe, Kristl Vonck, Pieter van Mierlo, German Castellanos-Dominguez
Presurgical evaluation of brain neural activity is commonly carried out in refractory epilepsy patients to delineate as accurately as possible the seizure onset zone (SOZ) before epilepsy surgery. In practice, any subjective interpretation of electroencephalographic (EEG) recordings is hindered mainly because of the highly stochastic behavior of the epileptic activity. We propose a new method for dynamic source connectivity analysis that aims to accurately localize the seizure onset zones by explicitly including temporal, spectral, and spatial information of the brain neural activity extracted from EEG recordings...
2017: Frontiers in Neuroscience
https://www.readbyqxmd.com/read/28425584/changes-in-ciap2-survivin-and-bimel-expression-characterize-the-switch-from-autophagy-to-apoptosis-in-prolonged-starvation
#11
A Hay-Koren, S Bialik, V Levin-Salomon, A Kimchi
BACKGROUND: Autophagy is a catabolic process involving the engulfment of cytoplasmic content within autophagosomes followed by their delivery to lysosomes. This process is a survival mechanism, enabling cells to cope with nutrient deprivation by degradation and recycling of macromolecules. Yet during continued stress such as prolonged starvation, a switch from autophagy to apoptosis is often detected. OBJECTIVE: In this work, we characterized the temporal dynamics of the transition from autophagy towards apoptosis with the aim of elucidating the molecular mechanism regulating the switch from survival autophagy to apoptotic cell death...
May 2017: Journal of Internal Medicine
https://www.readbyqxmd.com/read/28425209/identification-of-dynamic-load-for-prosthetic-structures
#12
Dequan Zhang, Xu Han, Zhongpu Zhang, Jie Liu, Chao Jiang, Nobuhiro Yoda, Xianghua Meng, Qing Li
Dynamic load exists in numerous biomechanical systems and its identification signifies a critical issue for characterizing dynamic behaviors and studying biomechanical consequence of the systems. This study aims to identify dynamic load in the dental prosthetic structures, namely three-unit implant-supported fixed partial denture (I-FPD) and teeth-supported fixed partial denture (T-FPD). The three-dimensional (3D) finite element (FE) models were constructed through patient's computerized tomography (CT) images...
April 20, 2017: International Journal for Numerical Methods in Biomedical Engineering
https://www.readbyqxmd.com/read/28424566/influence-of-organic-molecules-on-the-aggregation-of-tio2-nanoparticles-in-acidic-conditions
#13
Karin Danielsson, Julián A Gallego-Urrea, Martin Hassellov, Stefan Gustafsson, Caroline M Jonsson
Engineered nanoparticles released into the environment may interact with natural organic matter (NOM). Surface complexation affects the surface potential, which in turn may lead to aggregation of the particles. Aggregation of synthetic TiO2 (anatase) nanoparticles in aqueous suspension was investigated at pH 2.8 as a function of time in the presence of various organic molecules and Suwannee River fulvic acid (SRFA), using dynamic light scattering (DLS) and high-resolution transmission electron microscopy (TEM)...
2017: Journal of Nanoparticle Research: An Interdisciplinary Forum for Nanoscale Science and Technology
https://www.readbyqxmd.com/read/28424513/super-multiplex-vibrational-imaging
#14
Lu Wei, Zhixing Chen, Lixue Shi, Rong Long, Andrew V Anzalone, Luyuan Zhang, Fanghao Hu, Rafael Yuste, Virginia W Cornish, Wei Min
The ability to visualize directly a large number of distinct molecular species inside cells is increasingly essential for understanding complex systems and processes. Even though existing methods have successfully been used to explore structure-function relationships in nervous systems, to profile RNA in situ, to reveal the heterogeneity of tumour microenvironments and to study dynamic macromolecular assembly, it remains challenging to image many species with high selectivity and sensitivity under biological conditions...
April 19, 2017: Nature
https://www.readbyqxmd.com/read/28422954/identification-of-the-contribution-of-contact-and-aerial-biomechanical-parameters-in-acrobatic-performance
#15
Diane Haering, Aurore Huchez, Franck Barbier, Patrice Holvoët, Mickaël Begon
INTRODUCTION: Teaching acrobatic skills with a minimal amount of repetition is a major challenge for coaches. Biomechanical, statistical or computer simulation tools can help them identify the most determinant factors of performance. Release parameters, change in moment of inertia and segmental momentum transfers were identified in the prediction of acrobatics success. The purpose of the present study was to evaluate the relative contribution of these parameters in performance throughout expertise or optimisation based improvements...
2017: PloS One
https://www.readbyqxmd.com/read/28421821/modeling-and-dynamic-simulation-of-astronaut-s-upper-limb-motions-considering-counter-torques-generated-by-the-space-suit
#16
Jingwen Li, Qing Ye, Li Ding, Qianfang Liao
Extravehicular activity (EVA) is an inevitable task for astronauts to maintain proper functions of both the spacecraft and the space station. Both experimental research in a microgravity simulator (e.g. neutral buoyancy tank, zero-g aircraft or a drop tower/tube) and mathematical modeling were used to study EVA to provide guidance for the training on Earth and task design in space. Modeling has become more and more promising because of its efficiency. Based on the task analysis, almost 90% of EVA activity is accomplished through upper limb motions...
April 19, 2017: Computer Methods in Biomechanics and Biomedical Engineering
https://www.readbyqxmd.com/read/28418642/structure-and-dynamics-of-individual-diastereomeric-complexes-on-platinum-surface-studies-related-to-heterogeneous-enantioselective-catalysis
#17
Yi Dong, Guillaume Goubert, Michael N Groves, Jean-Christian Lemay, Bjørk Hammer, Peter H McBreen
The modification of heterogeneous catalysts through the chemisorption of chiral molecules is a method to create catalytic sites for enantioselective surface reactions. The chiral molecule is called a chiral modifier by analogy to the terms chiral auxiliary or chiral ligand used in homogeneous asymmetric catalysis. While there has been progress in understanding how chirality transfer occurs, the intrinsic difficulties in determining enantioselective reaction mechanisms are compounded by the multisite nature of heterogeneous catalysts and by the challenges facing stereospecific surface analysis...
April 18, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28418050/reversible-helical-chirality-of-perylene-bisimide-aggregates-amino-acid-directed-chiral-transfer-and-chiral-inversion
#18
Yizhi Liu, Xinpei Gao, Fei Lu, Mei Hu, Lijuan Shi, Liqiang Zheng
Through the formation of dynamic covalent bonds, we succeeded, for the first time, in achieving a reversible chiral transfer from amino acids to perylene bisimide aggregates in aqueous solutions. Two opposite helical aggregations are induced with l-phenylalanine and l-tyrosine, respectively. It is possible that the change in configurations of phenyl groups in amino acids leads to the chiral inversion of BAPBI arrangements.
April 18, 2017: Soft Matter
https://www.readbyqxmd.com/read/28417969/massive-introgression-drives-species-radiation-at-the-range-limit-of-anopheles-gambiae
#19
José L Vicente, Christopher S Clarkson, Beniamino Caputo, Bruno Gomes, Marco Pombi, Carla A Sousa, Tiago Antao, João Dinis, Giordano Bottà, Emiliano Mancini, Vincenzo Petrarca, Daniel Mead, Eleanor Drury, James Stalker, Alistair Miles, Dominic P Kwiatkowski, Martin J Donnelly, Amabélia Rodrigues, Alessandra Della Torre, David Weetman, João Pinto
Impacts of introgressive hybridisation may range from genomic erosion and species collapse to rapid adaptation and speciation but opportunities to study these dynamics are rare. We investigated the extent, causes and consequences of a hybrid zone between Anopheles coluzzii and Anopheles gambiae in Guinea-Bissau, where high hybridisation rates appear to be stable at least since the 1990s. Anopheles gambiae was genetically partitioned into inland and coastal subpopulations, separated by a central region dominated by A...
April 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28416820/contrasting-evolutionary-genome-dynamics-between-domesticated-and-wild-yeasts
#20
Jia-Xing Yue, Jing Li, Louise Aigrain, Johan Hallin, Karl Persson, Karen Oliver, Anders Bergström, Paul Coupland, Jonas Warringer, Marco Cosentino Lagomarsino, Gilles Fischer, Richard Durbin, Gianni Liti
Structural rearrangements have long been recognized as an important source of genetic variation, with implications in phenotypic diversity and disease, yet their detailed evolutionary dynamics remain elusive. Here we use long-read sequencing to generate end-to-end genome assemblies for 12 strains representing major subpopulations of the partially domesticated yeast Saccharomyces cerevisiae and its wild relative Saccharomyces paradoxus. These population-level high-quality genomes with comprehensive annotation enable precise definition of chromosomal boundaries between cores and subtelomeres and a high-resolution view of evolutionary genome dynamics...
April 17, 2017: Nature Genetics
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