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Md Junaid, Nazrul Islam, Md Kamal Hossain, M Obayed Ullah, Mohammad A Halim
Among neurodegenerative disorders, Alzheimer's disease (AD) is one of the most common disorders showing slow progressive cognitive decline. Targeting acetylcholinesterase (AChE) is one of the major strategies for AD therapeutics, as cholinergic pathways in the cerebral cortex and basal forebrain are compromised. Herein, we report the design of some copper and other metal based donepezil derivatives, employing density functional theory (DFT). All designed compounds are optimized at the B3LYP/SDD level of theory...
2019: PloS One
Yukiko Yano, Hasmik Grigoryan, Courtney Schiffman, William Edmands, Lauren Petrick, Katie Hall, Todd Whitehead, Catherine Metayer, Sandrine Dudoit, Stephen Rappaport
Metabolism of chemicals from the diet, exposures to xenobiotics, the microbiome, and lifestyle factors (e.g., smoking, alcohol intake) produce electrophiles that react with nucleophilic sites in circulating proteins, notably Cys34 of human serum albumin (HSA). To discover potential risk factors resulting from in utero exposures, we are investigating HSA-Cys34 adducts in archived newborn dried blood spots (DBS) that reflect systemic exposures during the last month of gestation. The workflow includes extraction of proteins from DBS, measurement of hemoglobin (Hb) to normalize for blood volume, addition of methanol to enrich HSA by precipitation of Hb and other interfering proteins, digestion with trypsin, and detection of HSA-Cys34 adducts via nanoflow liquid chromatography-high-resolution mass spectrometry...
February 19, 2019: Analytical and Bioanalytical Chemistry
Thomas A M Pugh, Mats Lindeskog, Benjamin Smith, Benjamin Poulter, Almut Arneth, Vanessa Haverd, Leonardo Calle
Although the existence of a large carbon sink in terrestrial ecosystems is well-established, the drivers of this sink remain uncertain. It has been suggested that perturbations to forest demography caused by past land-use change, management, and natural disturbances may be causing a large component of current carbon uptake. Here we use a global compilation of forest age observations, combined with a terrestrial biosphere model with explicit modeling of forest regrowth, to partition the global forest carbon sink between old-growth and regrowth stands over the period 1981-2010...
February 19, 2019: Proceedings of the National Academy of Sciences of the United States of America
Mojtaba Shamsipur, Leila Samandari, Avat Arman Taherpour, Afshin Pashabadi
This study introduces a signal amplification strategy rely on incorporating a specific polymer film between two typical nanostructured layers, aiming to improve the electrical properties of the platform to be able to transduce small binding event through sub-femtomolar detection of HIV-1 gene at the surface of the constructed biosensing device. The proposed composite was arrayed based on a conductive layer consist of p-aminobenzoic acid (PABA) sandwiched between the electrochemically reduced graphene oxide (ERGO) as the sub-layer, and the gold nanoparticles (AuNPs) as the interfacial layer...
May 9, 2019: Analytica Chimica Acta
Shing-Hong Liu, Cheng-Hsiung Hsieh, Wenxi Chen, Tan-Hsu Tan
In recent years, wearable devices have been popularly applied in the health care field. The electrocardiogram (ECG) is the most used signal. However, the ECG is measured under a body-motion condition, which is easily coupled with some noise, like as power line noise (PLn) and electromyogram (EMG). This paper presents a grey spectral noise cancellation (GSNC) scheme for electrocardiogram (ECG) signals where two-stage discrimination is employed with the empirical mode decomposition (EMD), the ensemble empirical mode decomposition (EEMD) and the grey spectral noise estimation (GSNE)...
February 15, 2019: Sensors
Oleg Kanakov, Susanna Gordleeva, Anastasia Ermolaeva, Sarika Jalan, Alexey Zaikin
Integrated information is a quantitative measure from information theory of how tightly all parts of a system are interconnected in terms of information exchange. In this study we show that astrocytes, playing an important role in regulation of information transmission between neurons, may contribute to a generation of positive integrated information in neuronal ensembles. Analytically and numerically we show that the presence of astrocytic regulation of neurotransmission may be essential for this information attribute in neuroastrocytic ensembles...
January 2019: Physical Review. E
Joseph W Baron, Tobias Galla
We show that the Turing patterns in reaction systems with subdiffusion can be replicated in an effective system with Markovian cross-diffusion. The effective system has the same Turing instability as the original system and the same patterns. If particles are short lived, then the transient dynamics are captured as well. We use the cross-diffusive system to define effective diffusion coefficients for the system with anomalous transport, and we show how they can be used to efficiently describe the Turing instability...
January 2019: Physical Review. E
Lyndon Bastatas, Phadindra Wagle, Elena Echeverria, Jason D Slinker, Dave N McIlroy
The effects of thermal annealing on the electrical properties of the randomly oriented ZnO-coated nanospring ensembles were extensively investigated through AC impedance spectroscopy. Annealing the nanospring mats for an hour at 873 K in air showed significant change in ZnO morphology, reduced electrical conductivity due to the presence of grain boundaries, decreased apparent donor concentration, and faster decay of sub-band gap photocurrent. The role of the nanospring-nanospring junctions in the conduction of carriers in the ensemble was also examined, as well as evaluation of their responsiveness to thermal and optical stimulation...
February 19, 2019: Nanotechnology
Aleksandra Lipka, Lukasz Paukszto, Marta Majewska, Jan Pawel Jastrzebski, Grzegorz Panasiewicz, Bozena Szafranska
Our pioneering data provide the first comprehensive view of placental transcriptome of the beaver during single and multiple gestation. RNA-Seq and a de novo approach allowed global pattern identification of C. fiber placental transcriptome. Non-redundant beaver transcriptome comprised 211,802,336 nt of placental transcripts, grouped into 128,459 contigs and clustered into 83,951 unigenes. An Ensembl database search revealed 14,487, 14,994, 15,004, 15,267 and 15,892 non-redundant homologs for Ictidomys tridecemlineatus, Rattus norvegicus, Mus musculus, Homo sapiens and Castor canadensis, respectively...
February 18, 2019: Functional & Integrative Genomics
Raoul D Schram, Angelo Rosa, Ralf Everaers
The conformational statistics of ring polymers in melts or dense solutions is strongly affected by their quenched microscopic topological state. The effect is particularly strong for untangled (i.e. non-concatenated and unknotted) rings, which are known to crumple and segregate. Here we study these systems using a computationally efficient multi-scale approach, where we combine massive simulations on the fiber level with the explicit construction of untangled ring melt configurations based on theoretical ideas for their large scale structure...
February 19, 2019: Soft Matter
Aleksa Zlojutro, David Rey, Lauren Gardner
The introduction and spread of emerging infectious diseases is increasing in both prevalence and scale. Whether naturally, accidentally or maliciously introduced, the substantial uncertainty surrounding the emergence of novel viruses, specifically where they may come from and how they will spread, demands robust and quantifiably validated outbreak control policies that can be implemented in real time. This work presents a novel mathematical modeling framework that integrates both outbreak dynamics and outbreak control into a decision support tool for mitigating infectious disease pandemics that spread through passenger air travel...
February 18, 2019: Scientific Reports
Adam Fekete, Yukihiro Nakamura, Yi-Mei Yang, Stefan Herlitze, Melanie D Mark, David A DiGregorio, Lu-Yang Wang
Synaptic heterogeneity is widely observed but its underpinnings remain elusive. We addressed this issue using mature calyx of Held synapses whose numbers of bouton-like swellings on stalks of the nerve terminals inversely correlate with release probability (Pr). We examined presynaptic Ca2+ currents and transients, topology of fluorescently tagged knock-in Ca2+ channels, and Ca2+ channel-synaptic vesicle (SV) coupling distance using Ca2+ chelator and inhibitor of septin cytomatrix in morphologically diverse synapses...
February 18, 2019: Nature Communications
Qianqian Li, Yue Huang, Xiangzhong Song, Jixiong Zhang, Shungeng Min
A novel chemometrical method, named as MWS-ECARS, which is based on using the moving window smoothing upon an ensemble of competitive adaptive reweighted sampling, is proposed as the spectral variable selection approach for multivariate calibration in this study. In terms of elimination of uninformative variables, an ensemble of CARS is carried out first and MWS is then performed to search for effective variables around the high frequency variables. The variable subset with the lowest standard error of cross-validation (SECV) is treated as the optimal threshold and the corresponding moving window width is regarded as the optimal window width...
February 11, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Leonard Schärfen, Michael Schlierf
Apart from being storage devices for genetic information, nucleic acids can provide regulatory structures through evolutionarily optimized sequences. The interaction of proteins binding specifically to such sequences and resulting secondary structures, or the exposure of single-stranded DNA add a versatile regulatory framework for cells. Biochemical and structural biology experiments have revealed important underlying concepts of protein-DNA interactions but are often limited by ensemble averaging or static information...
February 15, 2019: Methods: a Companion to Methods in Enzymology
Amzad H Laskar, Li-Ching Lin, Xun Jiang, Mao-Chang Liang
To assess sources and processes that affect the variability of CO2 at local to regional scales, we have analyzed the mixing ratio [CO2 ] and stable isotopic compositions (δ13 C and δ18 O) of atmospheric CO2 for three years (2014-2016) in urban and sub-urban areas in Taipei, Taiwan. The data are compared with those from some background sites, viz., Lulin, Mauna Loa, and Minamitorishima, to evaluate how local emissions affect CO2 level regionally. [CO2 ] over the urban and sub-urban stations are significantly higher than that observed at the three aforementioned remote sites mainly due to local emissions, which partly mask the seasonal cycle caused by photosynthesis and respiration...
November 2018: Earth and Space Science (Hoboken, N.J.)
Gregory Ditzler, Nidhal Bouaynaya, Roman Shterenberg, Hassan M Fathallah-Shaykh
Background: Most existing algorithms for modeling and analyzing molecular networks assume a static or time-invariant network topology. Such view, however, does not render the temporal evolution of the underlying biological process as molecular networks are typically "re-wired" over time in response to cellular development and environmental changes. In our previous work, we formulated the inference of time-varying or dynamic networks as a tracking problem, where the target state is the ensemble of edges in the network...
2019: BioData Mining
Javier Amezcua, Peter Jan van Leeuwen
Data assimilation is often performed in a perfect-model scenario, where only errors in initial conditions and observations are considered. Errors in model equations are increasingly being included, but typically using rather adhoc approximations with limited understanding of how these approximations affect the solution and how these approximations interfere with approximations inherent in finite-size ensembles. We provide the first systematic evaluation of the influence of approximations to model errors within a time window of weak-constraint ensemble smoothers...
October 2018: Quarterly Journal of the Royal Meteorological Society
Harpreet Singh, Prashant Singh Rana, Urvinder Singh
Prediction of drug synergy score is an ill-posed problem. It plays an efficient role in the medical field for inhibiting specific cancer agents. An efficient regression-based machine learning technique has an ability to minimise the drug synergy prediction errors. Therefore, in this study, an efficient machine learning technique for drug synergy prediction technique is designed by using ensemble based differential evolution (DE) for optimising the support vector machine (SVM). Because the tuning of the attributes of SVM kernel regulates the prediction precision...
February 2019: IET Systems Biology
Stéphanie Trouche, Vadim Koren, Natalie M Doig, Tommas J Ellender, Mohamady El-Gaby, Vítor Lopes-Dos-Santos, Hayley M Reeve, Pavel V Perestenko, Farid N Garas, Peter J Magill, Andrew Sharott, David Dupret
Retrieving and acting on memories of food-predicting environments are fundamental processes for animal survival. Hippocampal pyramidal cells (PYRs) of the mammalian brain provide mnemonic representations of space. Yet the substrates by which these hippocampal representations support memory-guided behavior remain unknown. Here, we uncover a direct connection from dorsal CA1 (dCA1) hippocampus to nucleus accumbens (NAc) that enables the behavioral manifestation of place-reward memories. By monitoring neuronal ensembles in mouse dCA1→NAc pathway, combined with cell-type selective optogenetic manipulations of input-defined postsynaptic neurons, we show that dCA1 PYRs drive NAc medium spiny neurons and orchestrate their spiking activity using feedforward inhibition mediated by dCA1-connected parvalbumin-expressing fast-spiking interneurons...
February 11, 2019: Cell
A Blanco, I de Bustamante, J A Pascual-Aguilar
Hydraulic heritage is a legacy that has generally been forgotten in territorial management and protective actions. This heritage expresses the way in which inhabitants have used their water resources and related structures for centuries. For proper management, it is necessary to draw up an inventory. Using Geographical Information System (GIS) tools, we have created a spatial and thematic inventory of the hydraulic heritage located in the Community of Madrid. This inventory shows the good conditions, both in abundance (more than 5800 point type entities) and diversity (28 categories in the point entities type layer), of historical hydraulic elements in the region...
February 10, 2019: Science of the Total Environment
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