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https://www.readbyqxmd.com/read/29040928/calorimetric-and-spectroscopic-studies-of-the-interaction-between-zidovudine-and-human-serum-albumin
#1
Adrian Pîrnău, Mihaela Mic, Silvia Neamţu, Călin G Floare, Mircea Bogdan
A quantitative analysis of the interaction between zidovudine (AZT) and human serum albumin (HSA) was achieved using Isothermal titration calorimetry (ITC) in combination with fluorescence and (1)H NMR spectroscopy. ITC directly measure the heat during a biomolecular binding event and gave us thermodynamic parameters and the characteristic association constant. By fluorescence quenching, the binding parameters of AZT-HSA interaction was determined and location to binding site I of HSA was confirmed. Via T1 NMR selective relaxation time measurements the drug-protein binding extent was evaluated as dissociation constants Kd and the involvement of azido moiety of zidovudine in molecular complex formation was put in evidence...
October 10, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29040671/nanoscale-dynamics-of-centromere-nucleosomes-and-the-critical-roles-of-cenp-a
#2
Micah P Stumme-Diers, Siddhartha Banerjee, Mohtadin Hashemi, Zhiqiang Sun, Yuri L Lyubchenko
In the absence of a functioning centromere, chromosome segregation becomes aberrant, leading to an increased rate of aneuploidy. The highly specific recognition of centromeres by kinetochores suggests that specific structural characteristics define this region, however, the structural details and mechanism underlying this recognition remains a matter of intense investigation. To address this, high-speed atomic force microscopy was used for direct visualization of the spontaneous dynamics of CENP-A nucleosomes at the sub-second time scale...
October 10, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29040642/dynamic-dna-binding-junction-recognition-and-g4-melting-activity-underlie-the-telomeric-and-genome-wide-roles-of-human-cst
#3
Anukana Bhattacharjee, Yongyao Wang, Jiajie Diao, Carolyn M Price
Human CST (CTC1-STN1-TEN1) is a ssDNA-binding complex that helps resolve replication problems both at telomeres and genome-wide. CST resembles Replication Protein A (RPA) in that the two complexes harbor comparable arrays of OB-folds and have structurally similar small subunits. However, the overall architecture and functions of CST and RPA are distinct. Currently, the mechanism underlying CST action at diverse replication issues remains unclear. To clarify CST mechanism, we examined the capacity of CST to bind and resolve DNA structures found at sites of CST activity...
October 10, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29040416/fractionating-the-neurocognitive-mechanisms-underlying-working-memory-independent-effects-of-dopamine-and-parkinson-s-disease
#4
Sean James Fallon, Rozemarijn Margaretha Mattiesing, Kinan Muhammed, Sanjay Manohar, Masud Husain
Deficits in working memory (WM) in Parkinson's disease (PD) are often considered to be secondary to dopaminergic depletion. However, the neurocognitive mechanisms by which dopamine causes these deficits remain highly contested, and PD is now also known to be associated with nondopaminergic pathology. Here, we examined how PD and dopaminergic medication modulate three components of WM: maintenance over time, updating contents with new information and making memories distracter-resistant. Compared with controls, patients were disproportionately impaired when retaining information for longer durations...
October 13, 2017: Cerebral Cortex
https://www.readbyqxmd.com/read/29040076/total-coliform-and-escherichia-coli-contamination-in-rural-well-water-analysis-for-passive-surveillance
#5
Jesse Invik, Herman W Barkema, Alessandro Massolo, Norman F Neumann, Sylvia Checkley
With increasing stress on our water resources and recent waterborne disease outbreaks, understanding the epidemiology of waterborne pathogens is crucial to build surveillance systems. The purpose of this study was to explore techniques for describing microbial water quality in rural drinking water wells, based on spatiotemporal analysis, time series analysis and relative risk mapping. Tests results for Escherichia coli and coliforms from private and small public well water samples, collected between 2004 and 2012 in Alberta, Canada, were used for the analysis...
October 2017: Journal of Water and Health
https://www.readbyqxmd.com/read/29040015/distinct-representations-of-magnitude-and-spatial-position-within-parietal-cortex-during-number-space-mapping
#6
Frank J Kanayet, Andrew Mattarella-Micke, Peter J Kohler, Anthony M Norcia, Bruce D McCandliss, James L McClelland
Mapping numbers onto space is foundational to mathematical cognition. These cognitive operations are often conceptualized in the context of a "mental number line" and involve multiple brain regions in or near the intraparietal sulcus (IPS) that have been implicated both in numeral and spatial cognition. Here we examine possible differentiation of function within these brain areas in relating numbers to spatial positions. By isolating the planning phase of a number line task and introducing spatiotopic mapping tools from fMRI into the mental number line task research, we are able to focus our analysis on the neural activity of areas in anterior IPS (aIPS) previously associated with number processing and on spatiotopically organized areas in and around posterior IPS (pIPS), while participants prepare to place a number on a number line...
October 17, 2017: Journal of Cognitive Neuroscience
https://www.readbyqxmd.com/read/29036619/the-effects-of-dna-supercoiling-on-g-quadruplex-formation
#7
Doreen A T Sekibo, Keith R Fox
Guanine-rich DNAs can fold into four-stranded structures that contain stacks of G-quartets. Bioinformatics studies have revealed that G-rich sequences with the potential to adopt these structures are unevenly distributed throughout genomes, and are especially found in gene promoter regions. With the exception of the single-stranded telomeric DNA, all genomic G-rich sequences will always be present along with their C-rich complements, and quadruplex formation will be in competition with the corresponding Watson-Crick duplex...
September 28, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29036376/the-mechanism-and-high-free-energy-transition-state-of-lac-repressor-lac-operator-interaction
#8
Rituparna Sengupta, Michael W Capp, Irina A Shkel, M Thomas Record
Significant, otherwise-unavailable information about mechanisms and transition states (TS) of protein folding and binding is obtained from solute effects on rate constants. Here we characterize TS for lac repressor(R)-lac operator(O) binding by analyzing effects of RO-stabilizing and RO-destabilizing solutes on association (ka) and dissociation (kd) rate constants. RO-destabilizing solutes (urea, KCl) reduce ka comparably (urea) or more than (KCl) they increase kd, demonstrating that they destabilize TS relative to reactants and RO, and that TS exhibits most of the Coulombic interactions between R and O...
October 3, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29035556/a-theoretical-and-mass-spectrometry-study-of-dimethyl-methylphosphonate-new-isomers-and-cation-decay-channels-in-an-intense-femtosecond-laser-field
#9
Gennady Lavrenty Gutsev, Derrick Ampadu Boateng, Puru Jena, Katharine Moore Tibbetts
Using both mass spectrometry with intense femtosecond laser ionization and high-level computational methods, we have explored the structure and fragmentation patterns of dimethyl methylphosphonate (DMMP) cation. Extensive search of the geometries of both neutral and positively charged DMMP yields new isomers that are appreciably lower in total energy than those commonly synthesized using the Michaelis-Arbuzov reaction. The stability of the standard isomer with CH3PO(OCH3)2 topology is found to be due to the presence of high barriers to isomer interconversion that involves several transition states...
October 16, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29035203/developing-a-nonstationary-computational-framework-with-application-to-modeling-dynamic-modulations-in-neural-spiking-responses
#10
Amir Akbarian, Kaiser Niknam, Mohammadbagher Parsa, Kelsey Clark, Behrad Noudoost, Neda Nategh
OBJECTIVE: This paper aims to develop a computational model that incorporates the functional effects of modulatory covariates (such as context, task, or behavior), which dynamically alter the relationship between the stimulus and the neural response. METHODS: We develop a general computational approach along with an efficient estimation procedure in the widely used generalized linear model (GLM) framework to characterize such nonstationary dynamics in spiking response and spatiotemporal characteristics of a neuron at the level of individual trials...
October 13, 2017: IEEE Transactions on Bio-medical Engineering
https://www.readbyqxmd.com/read/29035036/nanoprobe-synthesized-by-magnetotactic-bacteria-detecting-fluorescence-variations-under-dissociation-of-rhodamine-b-from-magnetosomes-following-temperature-ph-changes-or-the-application-of-radiation
#11
Edouard Alphandéry, Darine Abi Haidar, Olivier Seksek, Maxime Thoreau, Alain Trautmann, Nadege Bercovici, Florence Gazeau, François Guyot, Imène Chebbi
We report a method of fabrication of fluorescent magnetosomes, designated as MCR400, in which 400 μM of rhodamine B are introduced in the growth medium of AMB-1 magnetotactic bacteria and fluorescent magnetosomes are then extracted from these bacteria. These fluorescent magnetosomes behave differently from most fluorescent nanoprobes, which often lead to fluorescence losses over time due to photobleaching. Indeed, when MCR400 are heated to 30-90 °C, brought to an acidic pH, or exposed to radiations, we observed that their fluorescence intensity increased...
October 16, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29034122/methanol-on-anatase-tio2-101-mechanistic-insights-into-photocatalysis
#12
Martin Setvin, Xiao Shi, Jan Hulva, Thomas Simschitz, Gareth S Parkinson, Michael Schmid, Cristiana Di Valentin, Annabella Selloni, Ulrike Diebold
The photoactivity of methanol adsorbed on the anatase TiO2 (101) surface was studied by a combination of scanning tunneling microscopy (STM), temperature-programmed desorption (TPD), X-ray photoemission spectroscopy (XPS), and density functional theory (DFT) calculations. Isolated methanol molecules adsorbed at the anatase (101) surface show a negligible photoactivity. Two ways of methanol activation were found. First, methoxy groups formed by reaction of methanol with coadsorbed O2 molecules or terminal OH groups are photoactive, and they turn into formaldehyde upon UV illumination...
October 6, 2017: ACS Catalysis
https://www.readbyqxmd.com/read/29033838/the-target-residence-time-of-antihistamines-determines-their-antagonism-of-the-g-protein-coupled-histamine-h1-receptor
#13
Reggie Bosma, Gesa Witt, Lea A I Vaas, Ivana Josimovic, Philip Gribbon, Henry F Vischer, Sheraz Gul, Rob Leurs
The pharmacodynamics of drug-candidates is often optimized by metrics that describe target binding (Kd or Ki value) or target modulation (IC50). However, these metrics are determined at equilibrium conditions, and consequently information regarding the onset and offset of target engagement and modulation is lost. Drug-target residence time is a measure for the lifetime of the drug-target complex, which has recently been receiving considerable interest, as target residence time is shown to have prognostic value for the in vivo efficacy of several drugs...
2017: Frontiers in Pharmacology
https://www.readbyqxmd.com/read/29033639/a-survey-focusing-on-lucid-dreaming-metacognition-and-dream-anxiety-in-medical-students
#14
Çağdaş Yokuşoğlu, Mücahit Atasoy, Nurgül Tekeli, Ahmet Ural, Çağla Ulus, Yunus Taylan, Gülser Aydin, Gözde Gültekin, Murat Emül
INTRODUCTION: The aim of this study was to examine the level of lucidity and its relation with metacognitive beliefs and dream anxiety in medical students. METHODS: Nine hundred sixteen medical students were enrolled in the study. The participants were assessed with the Lucidity and Consciousness in Dreams Scale (LuCiD), the Metacognition Questionnaire-30 (MCQ-30), and the Van Dream Anxiety Scale (VDAS). RESULTS: There was no significant difference in mean total lucidity score between females and males, but there were some significant sex differences in subscales of lucidity, and control was significantly higher in male students, while realism, thought, and dissociation were significantly higher in female students...
September 2017: Noro Psikiyatri Arsivi
https://www.readbyqxmd.com/read/29033584/dna-ploidy-and-s-phase-fraction-analysis-in-peritoneal-carcinomatosis-from-ovarian-cancer-correlation-with-clinical-pathological-factors-and-response-to-chemotherapy
#15
Silvia Carloni, Giulia Gallerani, Anna Tesei, Emanuela Scarpi, Giorgio Maria Verdecchia, Salvatore Virzì, Francesco Fabbri, Chiara Arienti
OBJECTIVE: We investigated the correlation between ploidy or S-phase fraction (SPF) and the clinical pathological characteristics of patients with peritoneal carcinomatosis from ovarian cancer. We also assessed their relation with the in vivo and in vitro response to several chemotherapeutic agents. PATIENTS AND METHODS: Fifty-three patients with peritoneal carcinomatosis from ovarian cancer were enrolled. Frozen tumor tissue was dissociated by a detergent-trypsin method, and the resulting cell suspension was stained with RNase A and propidium iodide...
2017: OncoTargets and Therapy
https://www.readbyqxmd.com/read/29033192/chemical-affinity-of-10-methacryloyloxydecyl-dihydrogen-phosphate-to-dental-zirconia-effects-of-molecular-structure-and-solvents
#16
Ying Chen, Zhicen Lu, Mengke Qian, Huaiqin Zhang, Chen Chen, Haifeng Xie, Franklin R Tay
OBJECTIVES: To examine whether solvents and changing the molecular structure of 10-Methacryloyloxydecyl dihydrogen phosphate (10-MDP) affect its chemical affinity to Yttria-stabilized tetragonal zirconia polycrystals (Y-TZP). METHODS: The present work investigated the chemical affinity between Y-TZP and 10-MDP dissolved in different solvents (acetone/ethanol/water or mixture) using X-ray photoelectron spectroscopy, Fourier-transform infrared spectroscopy, and thermodynamic calculations...
October 13, 2017: Dental Materials: Official Publication of the Academy of Dental Materials
https://www.readbyqxmd.com/read/29032199/affinity-and-path-of-binding-xylopyranose-unto-e-coli-xylose-permease
#17
Thierry O Wambo, Liao Y Chen, Clyde Phelix, George Perry
Glucose transporters (GLUTs), expressed in all types of human cells, are responsible for the uptake of sugars as the primary energy source for the normal functions of good cells and for the abnormal growth of cancer cells. The E. coli xylose permease (XylE), a homologue of human GLUTs, has been investigated more thoroughly than other major facilitator proteins in the current literature. In this paper, we present a molecular dynamics (MD) study of an all-atom model system to elucidate the atomistic details and the free-energy landscape along the path of binding a xylopyranose (XYP) from the extracellular space to the inside of the transporter protein XylE...
October 11, 2017: Biochemical and Biophysical Research Communications
https://www.readbyqxmd.com/read/29031465/neurocognitive-mechanisms-of-the-flow-state
#18
David J Harris, Samuel J Vine, Mark R Wilson
While the experience of flow is often described in attentional terms-focused concentration or task absorption-specific cognitive mechanisms have received limited interest. We propose that an attentional explanation provides the best way to advance theoretical models and produce practical applications, as well as providing potential solutions to core issues such as how an objectively difficult task can be subjectively effortless. Recent research has begun to utilize brain-imaging techniques to investigate neurocognitive changes during flow, which enables attentional mechanisms to be understood in greater detail...
2017: Progress in Brain Research
https://www.readbyqxmd.com/read/29030874/depuration-of-cadmium-from-blue-mussel-mytilus-edulis-by-protein-hydrolysate-fe-2-complex-the-role-of-metallothionein
#19
Bin Zhang, Chuan-Dong Fang, Jun-Hui Xu, Hui-Juan Cao
Metallothionein (MT) plays a major role in the detoxification of toxic metal ions in mussel. This study served to investigate the effects of prepared protein hydrolysate-Fe(2+) (PH-Fe(2+) ) on depuration of cadmium salt (Cd(2+) ) from blue mussel (Mytilus edulis). The results indicated that Cd(2+) concentrations in control ranged from 46.1 to 47.1 μg/g during 15 d of depuration. While, 40 mg/L PH-Fe(2+) feed mussels exhibited obvious changes in Cd(2+) concentration variables, which decreased by 22.8 μg/g after 15 d of depuration, making them significantly lower than the values of the control...
October 14, 2017: Journal of Food Science
https://www.readbyqxmd.com/read/29030545/fructose-1-6-bisphosphate-couples-glycolytic-flux-to-activation-of-ras
#20
Ken Peeters, Frederik Van Leemputte, Baptiste Fischer, Beatriz M Bonini, Hector Quezada, Maksym Tsytlonok, Dorien Haesen, Ward Vanthienen, Nuno Bernardes, Carmen Bravo Gonzalez-Blas, Veerle Janssens, Peter Tompa, Wim Versées, Johan M Thevelein
Yeast and cancer cells share the unusual characteristic of favoring fermentation of sugar over respiration. We now reveal an evolutionary conserved mechanism linking fermentation to activation of Ras, a major regulator of cell proliferation in yeast and mammalian cells, and prime proto-oncogene product. A yeast mutant (tps1∆) with overactive influx of glucose into glycolysis and hyperaccumulation of Fru1,6bisP, shows hyperactivation of Ras, which causes its glucose growth defect by triggering apoptosis. Fru1,6bisP is a potent activator of Ras in permeabilized yeast cells, likely acting through Cdc25...
October 13, 2017: Nature Communications
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