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https://www.readbyqxmd.com/read/28092835/effects-of-the-central-potassium-ions-on-the-g-quadruplex-and-stabilizer-binding
#1
Zhiguo Wang, Jun-Ping Liu
Human telomeres undertake the structure of intra-molecular parallel G-quadruplex in the presence of K(+) in eukaryotic cell. Stabilization of the telomere G-quadruplex represents a potential strategy to prevent telomere lengthening by telomerase in cancer therapy. Current work demonstrates that the binding of central K(+) with the parallel G-quadruplex is a coordinated water directed step-wise process. The K(+) above the top G-tetrad is prone to leak into environment and the 5'-adenine quickly flips over the top G-tetrad, leading to the bottom gate of G-tetrads as the only viable pathway of K(+) binding...
January 6, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28092833/study-of-molecular-interactions-between-chitosan-and-vi-antigen
#2
Natália de Farias Silva, Raimundo Lopes da Silva, Kalene de Oliveira Almeida, Antônio Edilson Sousa do Nascimento-Júnior, Davi do Socorro Barros Brasil, José Otávio Carréra Silva-Júnior, Francisco Martins Teixeira, Roseane Maria Ribeiro-Costa
Chitosan has attracted much interest due to its special physical and chemical properties related to drug administration. Nanoparticles delivery systems from Vi Antigen are a promising approach in the struggle against typhoid fever. In this paper, we reported the obtainment and the characterization of Vi Antigen by Infrared spectroscopy as well as Molecular Modeling and Computational Chemistry studies of the Chitosan-Vi Antigen interaction through theoretical models. The results of the theoretical and experimental Infrared spectroscopy showed important bands related to N-Acetyl and O-Acetyl groups present in Vi Antigen...
December 31, 2016: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28092756/effects-of-assisted-outpatient-treatment-and-health-care-services-on-psychotic-symptoms
#3
Andres R Schneeberger, Christian G Huber, Undine E Lang, Kristina H Muenzenmaier, Dorothy Castille, Matthias Jaeger, Azizi Seixas, Julia Sowislo, Bruce G Link
RATIONALE: An ongoing debate concerns acceptability, benefits, and shortcomings of coercive treatment such as assisted outpatient treatment (AOT). The hypothesis that involuntary commitment to outpatient treatment may lead to a better clinical outcome for a subgroup of persons with severe mental illness (SMI) is controversial. Nonetheless, positive effects of AOT may be mediated by an increased availability of healthcare resources or increased service use. OBJECTIVE: The purpose of the present study is to evaluate the course of delusions, hallucinations, and negative symptoms among patients with SMI receiving AOT compared to patients receiving non-compulsory treatment (NCT)...
January 6, 2017: Social Science & Medicine
https://www.readbyqxmd.com/read/28092555/progressive-shape-distribution-encoder-for-3d-shape-retrieval
#4
Jin Xie, Fan Zhu, Guoxian Dai, Ling Shao, Yi Fang
Since there are complex geometric variations with 3D shapes, extracting efficient 3D shape features is one of the most challenging tasks in shape matching and retrieval. In this paper, we propose a deep shape descriptor by learning shape distributions at different diffusion time via a progressive shape-distribution-encoder (PSDE). First, we develop a shape distribution representation with the kernel density estimator to characterize the intrinsic geometry structures of 3D shapes. Then, we propose to learn a deep shape feature through an unsupervised PSDE...
January 10, 2017: IEEE Transactions on Image Processing: a Publication of the IEEE Signal Processing Society
https://www.readbyqxmd.com/read/28092521/measuring-and-predicting-tag-importance-for-image-retrieval
#5
Shangwen Li, Sanjay Purushotham, Chen Chen, Yuzhuo Ren, C-C Jay Kuo
Textual data such as tags, sentence descriptions are combined with visual cues to reduce the semantic gap for image retrieval applications in today's Multimodal Image Retrieval (MIR) systems. However, all tags are treated as equally important in these systems, which may result in misalignment between visual and textual modalities during MIR training. This will further lead to degenerated retrieval performance at query time. To address this issue, we investigate the problem of tag importance prediction, where the goal is to automatically predict the tag importance and use it in image retrieval...
January 11, 2017: IEEE Transactions on Pattern Analysis and Machine Intelligence
https://www.readbyqxmd.com/read/28092518/compositional-model-based-fisher-vector-coding-for-image-classi%C3%AF-cation
#6
Lingqiao Liu, Peng Wang, Chunhua Shen, Lei Wang, Anton van den Hengel, Chao Wang, Heng Tao Shen
Deriving from the gradient vector of a generative model of local features, Fisher vector coding (FVC) has been identified as an effective coding method for image classification. Most, if not all, FVC implementations employ the Gaussian mixture model (GMM) as the generative model for local features. However, the representative power of a GMM can be limited because it essentially assumes that local features can be characterized by a fixed number of feature prototypes, and the number of prototypes is usually small in FVC...
January 10, 2017: IEEE Transactions on Pattern Analysis and Machine Intelligence
https://www.readbyqxmd.com/read/28092512/a-hidden-markov-model-for-seismocardiography
#7
Johan Wahlstrom, Isaac Skog, Peter Handel, Farzad Khosrow-Khavar, Kouhyar Tavakolian, Phyllis K Stein, Arye Nehorai
We propose a hidden Markov model approach for processing seismocardiograms. The seismocardiogram morphology is learned using the expectation-maximization algorithm, and the state of the heart at a given time instant is estimated by the Viterbi algorithm. From the obtained Viterbi sequence, it is then straightforward to estimate instantaneous heart rate, heart rate variability measures, and cardiac time intervals (the latter requiring a small number of manual annotations). As is shown in the conducted experimental study, the presented algorithm outperforms the state-of-the-art in seismocardiogrambased heart rate and heart rate variability estimation Moreover, the isovolumic contraction time and the left ventricular ejection time are estimated with mean absolute errors of about 5 [ms] and 9 [ms], respectively...
January 9, 2017: IEEE Transactions on Bio-medical Engineering
https://www.readbyqxmd.com/read/28092433/design-and-analysis-of-localized-dna-hybridization-chain-reactions
#8
Hieu Bui, Vincent Miao, Sudhanshu Garg, Reem Mokhtar, Tianqi Song, John Reif
Theoretical models of localized DNA hybridization reactions on nanoscale substrates indicate potential benefits over conventional DNA hybridization reactions. Recently, a few approaches have been proposed to speed-up DNA hybridization reactions; however, experimental confirmation and quantification of the acceleration factor have been lacking. Here, a system to investigate localized DNA hybridization reactions on a nanoscale substrate is presented. The system consists of six metastable DNA hairpins that are tethered to a long DNA track...
January 16, 2017: Small
https://www.readbyqxmd.com/read/28092430/optimal-reactivity-and-improved-self-healing-capability-of-structurally-dynamic-polymers-grafted-on-janus-nanoparticles-governed-by-chain-stiffness-and-spatial-organization
#9
Guoxi Xu, Zihan Huang, Pengyu Chen, Tianqi Cui, Xinghua Zhang, Bing Miao, Li-Tang Yan
Structurally dynamic polymers are recognized as a key potential to revolutionize technologies ranging from design of self-healing materials to numerous biomedical applications. Despite intense research in this area, optimizing reactivity and thereby improving self-healing ability at the most fundamental level pose urgent issue for wider applications of such emerging materials. Here, the authors report the first mechanistic investigation of the fundamental principle for the dependence of reactivity and self-healing capabilities on the properties inherent to dynamic polymers by combining large-scale computer simulation, theoretical analysis, and experimental discussion...
January 16, 2017: Small
https://www.readbyqxmd.com/read/28092407/study-of-potential-health-effects-of-electromagnetic-fields-of-telephony-and-wi-fi-using-chicken-embryo-development-as-animal-model
#10
Henri Woelders, Agnes de Wit, Alexander Lourens, Norbert Stockhofe, Bas Engel, Ina Hulsegge, Dirkjan Schokker, Paula van Heijningen, Stefan Vossen, Dave Bekers, Peter Zwamborn
The objective of this study is to investigate possible biological effects of radiofrequency electromagnetic fields (RF-EMF) as used in modern wireless telecommunication in a well-controlled experimental environment using chicken embryo development as animal model. Chicken eggs were incubated under continuous experimental exposure to GSM (1.8 GHz), DECT (1.88 GHz), UMTS (2.1 GHz), and WLAN (5.6 GHz) radiation, with the appropriate modulation protocol, using a homogeneous field distribution at a field strength of approximately 3 V/m, representing the maximum field level in a normal living environment...
January 16, 2017: Bioelectromagnetics
https://www.readbyqxmd.com/read/28092383/computational-study-of-the-interplay-between-intermolecular-interactions-and-co2-orientations-in-type-i-hydrates
#11
M Pérez-Rodríguez, A Vidal-Vidal, J M Míguez, F J Blas, J-P Torré, M M Piñeiro
Carbon dioxide (CO2) molecules show a rich orientation landscape when they are enclathrated in type I hydrates. Previous studies have described experimentally their preferential orientations, and some theoretical works have explained, but only partially, these experimental results. In the present paper, we use classical molecular dynamics and electronic density functional theory to advance in the theoretical description of CO2 orientations within type I hydrates. Our results are fully compatible with those previously reported, both theoretical and experimental, the geometric shape of the cavities in hydrate being, and therefore, the steric constraints, responsible for some (but not all) preferential angles...
January 16, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28092262/vocal-development-in-a-waddington-landscape
#12
Yayoi Teramoto, Daniel Takahashi, Philip Holmes, Asif A Ghazanfar
Vocal development is the adaptive coordination of the vocal apparatus, muscles, the nervous system, and social interaction. Here, we use a quantitative framework based on optimal control theory and Waddington's landscape metaphor to provide an integrated view of this process. With a biomechanical model of the marmoset monkey vocal apparatus and behavioral developmental data, we show that only the combination of the developing vocal tract, vocal apparatus muscles and nervous system can fully account for the patterns of vocal development...
January 16, 2017: ELife
https://www.readbyqxmd.com/read/28092019/urb597-and-the-cannabinoid-win55-212-2-reduce-behavioral-and-neurochemical-deficits-induced-by-mptp-in-mice-possible-role-of-redox-modulation-and-nmda-receptors
#13
Angel Escamilla-Ramírez, Esperanza García, Guadalupe Palencia-Hernández, Ana Laura Colín-González, Sonia Galván-Arzate, Isaac Túnez, Julio Sotelo, Abel Santamaría
Several physiological events in the brain are regulated by the endocannabinoid system (ECS). While synthetic cannabinoid receptor (CBr) agonists such as WIN55,212-2 act directly on CBr, agents like URB597, a fatty acid amide hydrolase (FAAH) inhibitor, induce a more "physiological" activation of CBr by increasing the endogenous levels of the endocannabinoid anandamide (AEA). Herein, we compared the pre- and post-treatment efficacy of URB597 and WIN55,212-2 on different endpoints evaluated in the toxic model produced by the mitochondrial toxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) in mice...
January 14, 2017: Neurotoxicity Research
https://www.readbyqxmd.com/read/28091936/task-specific-motor-rehabilitation-therapy-after-stroke-improves-performance-in-a-different-motor-task-translational-evidence
#14
M El Amki, P Baumgartner, O Bracko, A R Luft, S Wegener
While the stroke survivor with a motor deficit strives for recovery of all aspects of daily life movements, neurorehabilitation training is often task specific and does not generalize to movements other than the ones trained. In rodent models of post-stroke recovery, this problem is poorly investigated as the training task is often the same as the one that measures motor function. The present study investigated whether motor training by pellet reaching translates into enhancement of different motor functions in rats after stroke...
January 14, 2017: Translational Stroke Research
https://www.readbyqxmd.com/read/28091928/effects-of-no-synthase-blocker-l-name-on-functional-state-of-the-neuromotor-system-during-traumatic-disease-of-the-spinal-cord
#15
G G Yafarova, V V Andrianov, R Kh Yagudin, I I Shaikhytdinov, Kh L Gainutdinov
Functional state of the neuromotor system after administration of a nonspecific NO synthase blocker L-NAME was studied on the model of experimental contusion of the spinal cord. Electron paramagnetic resonance measurements of NO production in the damaged segment of the spinal cord were performed for estimation of the dynamics of intensity of NO production during traumatic disease of the spinal cord and selection of optimal period for L-NAME administration. The status of the neuromotor system was evaluated by stimulation electromyography...
January 16, 2017: Bulletin of Experimental Biology and Medicine
https://www.readbyqxmd.com/read/28091920/comparative-study-of-antitumor-efficiency-of-intraperitoneal-and-intravenous-cytostatics-in-experimental-rats-with-disseminated-ovarian-cancer
#16
V G Bespalov, E A Vyshinskaya, I N Vasil'eva, A L Semenov, M A Maidin, N V Barakova, A N Stukov
Antitumor efficiencies of cytostatics dioxadet, cisplatin, mitomycin C, melphalan, and paclitaxel after a single intraperitoneal or intravenous injection in doses of 1.5, 4, 1.5, 2, and 5 mg/kg, respectively, were studied on the model of transplanted ovarian tumor in 124 rats. The antitumor effects were evaluated by the increase in median survival. Dioxadet, cisplatin, and melphalan injected intraperitoneally significantly prolonged the lifespan median - by 79, 88, and 114%, respectively, and were in fact ineffective, when injected intravenously...
January 14, 2017: Bulletin of Experimental Biology and Medicine
https://www.readbyqxmd.com/read/28091916/new-experimental-model-of-rat-risk-behavior-effects-of-nicotine-and-phenazepam
#17
S K Sudakov, G A Nazarova, E V Alekseeva
We described a new model of risk behavior in rats that allows selection of animals predisposed to risk behavior in the absence of other biological motivations. Phenazepam administration did not change the intensity of risk behavior in "risky" animals, but stimulated risk behavior in rats that were not predisposed to it. Nicotine inhibited risk behavior in "risky" animals and strengthened it in "cautious" rats. In the intermediate group, the drugs did not induce significant changes. A similar effect of the drugs was observed in the previous models...
January 14, 2017: Bulletin of Experimental Biology and Medicine
https://www.readbyqxmd.com/read/28091803/a-study-of-hyperelastic-models-for-predicting-the-mechanical-behavior-of-extensor-apparatus
#18
Nahid Elyasi, Kimia Karimi Taheri, Keivan Narooei, Ali Karimi Taheri
In this research, the nonlinear elastic behavior of human extensor apparatus was investigated. To this goal, firstly the best material parameters of hyperelastic strain energy density functions consisting of the Mooney-Rivlin, Ogden, invariants, and general exponential models were derived for the simple tension experimental data. Due to the significance of stress response in other deformation modes of nonlinear models, the calculated parameters were used to study the pure shear and balance biaxial tension behavior of the extensor apparatus...
January 16, 2017: Biomechanics and Modeling in Mechanobiology
https://www.readbyqxmd.com/read/28091781/a-semifluorinated-alkane-f4h5-as-novel-carrier-for-cyclosporine-a-a-promising-therapeutic-and-prophylactic-option-for-topical-treatment-of-dry-eye
#19
Uta Gehlsen, Tobias Braun, Maria Notara, Sonja Krösser, Philipp Steven
PURPOSE: Cyclosporine A (Cs) has been used as effective topical therapy for inflammatory dry eye disease since more than a decade. However, due to its lipophilic character, Cs is formulated as emulsions or oily solutions for topical application. This experimental study aimed to test if the use of semifluorinated alkanes (SFAs) as a preservative-free, well-tolerated non-stinging or burning vehicle maintains or even improves the benefits of Cs in the topical therapy of dry-eye disease. METHODS: Desiccating stress was applied to C57BL/6 mice for 14 consecutive days to induce experimental dry-eye...
January 14, 2017: Graefe's Archive for Clinical and Experimental Ophthalmology
https://www.readbyqxmd.com/read/28091753/vtst-mt-studies-of-the-catalytic-mechanism-of-c-h-activation-by-transition-metal-complexes-with-cu2-%C3%AE-o2-fe2-%C3%AE-o2-and-fe-iv-o-cores-based-on-dft-potential-energy-surfaces
#20
REVIEW
Yongho Kim, Binh Khanh Mai, Sumin Park
High-valent Cu and Fe species, which are generated from dioxygen activation in metalloenzymes, carry out the functionalization of strong C-H bonds. Understanding the atomic details of the catalytic mechanism has long been one of the main objectives of bioinorganic chemistry. Large H/D kinetic isotope effects (KIEs) were observed in the C-H activation by high-valent non-heme Cu or Fe complexes in enzymes and their synthetic models. The H/D KIE depends significantly on the transition state properties, such as structure, energies, frequencies, and shape of the potential energy surface, when the tunneling effect is large...
January 16, 2017: Journal of Biological Inorganic Chemistry: JBIC
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