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https://www.readbyqxmd.com/read/27911380/method-for-identifying-small-molecule-inhibitors-of-the-protein-protein-interaction-between-hcn1-and-trip8b
#1
Ye Han, Kyle A Lyman, Matt Clutter, Gary E Schiltz, Quratul-Ain Ismail, Xiangying Cheng, Chi-Hao Luan, Dane M Chetkovich
Hyperpolarization-activated cyclic nucleotide-gated (HCN) channels are expressed ubiquitously throughout the brain, where they function to regulate the excitability of neurons. The subcellular distribution of these channels in pyramidal neurons of hippocampal area CA1 is regulated by tetratricopeptide repeat-containing Rab8b interacting protein (TRIP8b), an auxiliary subunit. Genetic knockout of HCN pore forming subunits or TRIP8b, both lead to an increase in antidepressant-like behavior, suggesting that limiting the function of HCN channels may be useful as a treatment for Major Depressive Disorder (MDD)...
November 11, 2016: Journal of Visualized Experiments: JoVE
https://www.readbyqxmd.com/read/27910112/analytical-gradients-for-subsystem-density-functional-theory-within-the-slater-function-based-amsterdam-density-functional-program
#2
Danny Schlüns, Mirko Franchini, Andreas W Götz, Johannes Neugebauer, Christoph R Jacob, Lucas Visscher
We present a new implementation of analytical gradients for subsystem density-functional theory (sDFT) and frozen-density embedding (FDE) into the Amsterdam Density Functional program (ADF). The underlying theory and necessary expressions for the implementation are derived and discussed in detail for various FDE and sDFT setups. The parallel implementation is numerically verified and geometry optimizations with different functional combinations (LDA/TF and PW91/PW91K) are conducted and compared to reference data...
December 2, 2016: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/27901476/the-change-of-hcn1-hcn2-mrna-expression-in-peripheral-nerve-after-chronic-constriction-injury-induced-neuropathy-followed-by-pulsed-electromagnetic-field-therapy
#3
Hui Liu, Jun Zhou, Lianbing Gu, Yunxia Zuo
Neuropathic pain is usually defined as a chronic pain state caused by peripheral or central nerve injury as a result of acute damage or systemic diseases. It remains a difficult disease to treat. Recent studies showed that the frequency of action potentials in nociceptive afferents is affected by the activity of hyperpolarization-activated cyclic nucleotide-gated cation channels (HCN) family. In the current study, we used a neuropathy rat model induced by chronic constriction injury (CCI) of sciatic nerve to evaluate the change of expression of HCN1/HCN2 mRNA in peripheral nerve and spinal cord...
November 25, 2016: Oncotarget
https://www.readbyqxmd.com/read/27875881/communication-position-does-matter-the-photofragmentation-of-the-nitroimidazole-isomers
#4
P Bolognesi, A R Casavola, A Cartoni, R Richter, P Markus, S Borocci, J Chiarinelli, S Tošić, H Sa'adeh, M Masič, B P Marinković, K C Prince, L Avaldi
A combined experimental and theoretical approach has been used to disentangle the fundamental mechanisms of the fragmentation of the three isomers of nitroimidazole induced by vacuum ultra-violet (VUV) radiation, namely, 4-, 5-, and 2-nitroimidazole. The results of mass spectrometry as well as photoelectron-photoion coincidence spectroscopy display striking differences in the radiation-induced decomposition of the different nitroimidazole radical cations. Based on density functional theory (DFT) calculations, a model is proposed which fully explains such differences, and reveals the subtle fragmentation mechanisms leading to the release of neutral species like NO, CO, and HCN...
November 21, 2016: Journal of Chemical Physics
https://www.readbyqxmd.com/read/27859894/a-1d-coordination-polymer-of-uf5-with-hcn-as-a-ligand
#5
Benjamin Scheibe, Stefan S Rudel, Magnus R Buchner, Antti J Karttunen, Florian Kraus
β-Uranium(V) fluoride was reacted with liquid anhydrous hydrogen cyanide to obtain a 1D coordination polymer with the composition 1∞ [UF5 (HCN)2 ], 1∞ [UF4/1 F2/2 - (HCN)2/1 ], revealed by single-crystal X-ray structure determination. The reaction system was furthermore studied by means of vibrational and NMR spectroscopy, as well as by quantum chemical calculations. The compound presents the first described polymeric HCN Lewis adduct and the first HCN adduct of a uranium fluoride.
November 17, 2016: Chemistry: a European Journal
https://www.readbyqxmd.com/read/27859380/deformed-transition-state-theory-deviation-from-arrhenius-behavior-and-application-to-bimolecular-hydrogen-transfer-reaction-rates-in-the-tunneling-regime
#6
Valter H Carvalho-Silva, Vincenzo Aquilanti, Heibbe C B de Oliveira, Kleber C Mundim
A formulation is presented for the application of tools from quantum chemistry and transition-state theory to phenomenologically cover cases where reaction rates deviate from Arrhenius law at low temperatures. A parameter d is introduced to describe the deviation for the systems from reaching the thermodynamic limit and is identified as the linearizing coefficient in the dependence of the inverse activation energy with inverse temperature. Its physical meaning is given and when deviation can be ascribed to quantum mechanical tunneling its value is calculated explicitly...
November 17, 2016: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/27828160/1-55-%C3%AE-m-hydrogen-cyanide-optical-frequency-stabilized-and-10-ghz-repetition-rate-stabilized-mode-locked-fiber-laser
#7
Masato Yoshida, Kazuki Yoshida, Keisuke Kasai, Masataka Nakazawa
We describe a 1.55 μm hydrogen cyanide (HCN) optical frequency and repetition rate stabilized mode-locked fiber laser, where the optical frequency was locked to the P(10) HCN absorption line and the repetition rate was locked to 9.95328 GHz by using a microwave phase-locked loop. The optical frequency stability of the laser reached 5 x 10<sup>-11</sup> with an integration time τ of 1 s. With a bidirectional pumping scheme, the laser output power reached 64.6 mW. To obtain a short pulse train, the average dispersion in the cavity was managed so that it was zero around 1...
October 17, 2016: Optics Express
https://www.readbyqxmd.com/read/27827540/meteorites-and-the-rna-world-a-thermodynamic-model-of-nucleobase-synthesis-within-planetesimals
#8
Ben K D Pearce, Ralph E Pudritz
The possible meteorite parent body origin of Earth's pregenetic nucleobases is substantiated by the guanine (G), adenine (A), and uracil (U) measured in various meteorites. Cytosine (C) and thymine (T), however, are absent in meteorites, making the emergence of an RNA and later RNA/DNA/protein world problematic. We investigated the meteorite parent body (planetesimal) origin of all nucleobases by computationally modeling 18 reactions that potentially contribute to nucleobase formation in such environments. Out of this list, we identified the two most important reactions for each nucleobase and found that these involve small molecules such as HCN, CO, NH3, and water that ultimately arise from the protoplanetary disks in which planetesimals are built...
November 2016: Astrobiology
https://www.readbyqxmd.com/read/27825487/phytohormone-production-endowed-with-antagonistic-potential-and-plant-growth-promoting-abilities-of-culturable-endophytic-bacteria-isolated-from-clerodendrum-colebrookianum-walp
#9
Ajit Kumar Passari, Vineet Kumar Mishra, Vincent Vineeth Leo, Vijai Kumar Gupta, Bhim Pratap Singh
In this study, culturable endophytic bacterial isolates obtained from an ethnomedicinal plant Clerodendrum colebrookianum Walp., were assessed for their diversity, in vitro screening for their plant growth promoting (PGP) activities and to use them as inoculant for in vivo PGP activities with biocontrol potential. Totally, 73 isolates were recovered from different tissues of C. colebrookianum were identified by 16S rRNA gene sequencing and phylogenetically analyzed by using BOX-PCR fingerprinting. Out of 73 isolates, 52 exhibited varying extents of antagonistic potential were selected for screening for various PGP traits...
December 2016: Microbiological Research
https://www.readbyqxmd.com/read/27813693/loss-of-hcn-channel-mediated-ih-current-following-seizures-accounts-for-movement-dysfunction
#10
Jeffery A Boychuk, G Campbell Teskey
No abstract text is available yet for this article.
November 4, 2016: Channels
https://www.readbyqxmd.com/read/27812224/semi-classical-calculations-of-self-broadening-coefficients-of-ocs-and-hcn-at-temperatures-between-200%C3%A2-k-and-298%C3%A2-k
#11
C Jellali, S Galalou, A Cuisset, M Dhib, H Aroui
For some temperatures of atmospheric interest from 200 to 298 K, the self-broadening coefficients of OCS-OCS and HCN-HCN collisional systems, at different strengths of electrostatic interactions, were calculated respectively for ν1 and ν2 bands for a wide range of rotational quantum numbers J. In particular, we have considered some lines that were not studied previously. We have employed the approximation of bi-resonance functions (Starikov, 2012) in the frame of the semiclassical model of Robert and Bonamy with exact trajectory (RBE)...
November 2016: Journal of Molecular Spectroscopy
https://www.readbyqxmd.com/read/27807172/nitric-oxide-modulates-hcn-channels-in-magnocellular-neurons-of-the-supraoptic-nucleus-of-rats-by-an-s-nitrosylation-dependent-mechanism
#12
Melina Pires da Silva, Davi José de Almeida Moraes, André de Souza Mecawi, José Antunes Rodrigues, Wamberto Antonio Varanda
: The control of the excitability in magnocellular neurosecretory cells (MNCs) of the supraoptic nucleus has been attributed mainly to synaptic inputs from circunventricular organs. However, nitric oxide (NO), a gaseous messenger produced in this nucleus during isotonic and short-term hypertonic conditions, is an example of a modulator that can act directly on MNCs to modulate their firing rate. NO inhibits the electrical excitability of MNCs, leading to a decrease in the release of vasopressin and oxytocin...
November 2, 2016: Journal of Neuroscience: the Official Journal of the Society for Neuroscience
https://www.readbyqxmd.com/read/27802887/pollutant-emissions-from-the-pyrolysis-and-combustion-of-viscoelastic-memory-foam
#13
María A Garrido, Rafael Font, Juan A Conesa
Thermal degradation of viscoelastic memory foam (VMF) in a horizontal laboratory scale reactor has been studied. Pyrolysis and combustion experiments under sub-stoichiometric conditions were performed at four different temperatures (550°C, 650°C, 750°C and 850°C) for the determination of pollutants. Analyses of gas and semivolatile compounds, including polychlorodibenzo-p-dioxins and furans (PCDD/Fs) and dioxin-like polychlorobiphenyls (dl-PCBs) are shown. From the results, it was deduced that pyrolytic conditions favor the formation of PAHs, methane, ethylene, NH3 and dl-PCBs, whereas the presence of oxygen involves a higher emission of PCDD/Fs and simple N-containing compounds such as NO and HCN...
January 15, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/27762671/examining-the-role-of-preoperative-positron-emission-tomography-computerized-tomography-pet-ct-in-combination-with-ultrasonography-in-discriminating-benign-from-malignant-cytologically-indeterminate-thyroid-nodules
#14
Michele M Merten, M Regina Castro, Jun Zhang, Jolanta M Durski, Mabel Ryder
BACKGROUND: Cytologically defined indeterminate thyroid nodules are a diagnostic challenge. Surgical lobectomy remains gold standard for definitive diagnosis, however, 70-85% of nodules are ultimately benign. The primary objective of this study was to evaluate the negative predictive value (NPV) of F18-Fluorodeoxyglucose (FDG) positron emission computed tomography (PET/CT) in excluding cancer among cytologically indeterminate thyroid nodules within our institution using surgical pathology as a gold standard reference and to perform a systematic review of published prospective studies on the NPV of PET/CT in evaluating indeterminate thyroid nodules...
October 20, 2016: Thyroid: Official Journal of the American Thyroid Association
https://www.readbyqxmd.com/read/27753119/new-equation-for-calculating-total-interaction-energy-in-one-noncyclic-abc-triad-and-new-insights-into-cooperativity-of-noncovalent-bonds
#15
Sadegh Salehzadeh, Farahnaz Maleki
In this work, a new equation consist of A⋅⋅⋅B, B⋅⋅⋅C, A⋅⋅⋅BC, and AB⋅⋅⋅C interactions is proposed for calculating the total interaction energy of noncyclic ABC triads. New equations are also proposed for calculating the changes in values of A⋅⋅⋅B and B⋅⋅⋅C interactions on the formation of triad from the corresponding dyads. The advantages of equations proposed here in comparison with many-body interaction energy approach are discussed. All proposed equations were tested in F3 MLi⋅⋅⋅NCH⋅⋅⋅HLH and F3 MLi⋅⋅⋅HLH⋅⋅⋅HCN (M = C, Si; L = Be, Mg) as well as H3 N⋅⋅⋅XY⋅⋅⋅HF (X, Y = F, Cl, Br) noncyclic A⋅⋅⋅B⋅⋅⋅C triads...
December 15, 2016: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/27743933/contribution-of-large-sized-primary-sensory-neuronal-sensitization-to-mechanical-allodynia-by-upregulation-of-hyperpolarization-activated-cyclic-nucleotide-gated-channels-via-cyclooxygenase-1-cascade
#16
Wei Sun, Fei Yang, Yan Wang, Han Fu, Yan Yang, Chun-Li Li, Xiao-Liang Wang, Qing Lin, Jun Chen
Under physiological state, small- and medium-sized dorsal root ganglia (DRG) neurons are believed to mediate nociceptive behavioral responses to painful stimuli. However, recently it has been found that a number of large-sized neurons are also involved in nociceptive transmission under neuropathic conditions. Nonetheless, the underlying mechanisms that large-sized DRG neurons mediate nociception are poorly understood. In the present study, the role of large-sized neurons in bee venom (BV)-induced mechanical allodynia and the underlying mechanisms were investigated...
October 12, 2016: Neuropharmacology
https://www.readbyqxmd.com/read/27717454/short-versus-long-term-effects-of-cyanide-on-sugar-metabolism-and-transport-in-dormant-walnut-kernels
#17
Zahra Gerivani, Elham Vashaee, Hamid Reza Sadeghipour, Mahnaz Aghdasi, Zahra-Sadat Shobbar, Majid Azimmohseni
Tree seed dormancy release by cold stratification accompanies with the embryo increased gluconeogenesis competence. Cyanide also breaks seed dormancy however, integrated information about its effects on carbon metabolism is lacking. Accordingly, the impacts of HCN on germination, lipid gluconeogenesis and sugar transport capacity of walnut (Juglans regia L.) kernels were investigated during 10-days period prior to radicle protrusion. HCN increased walnut kernel germination and within four days of kernel incubation, hastened the decline of starch, reducing and non-reducing sugars and led to greater activities of alkaline invertase and glucose-6-phosphate dehydrogenase...
November 2016: Plant Science: An International Journal of Experimental Plant Biology
https://www.readbyqxmd.com/read/27700137/carbon-monoxide-and-the-potential-for-prebiotic-chemistry-on-habitable-planets-around-main-sequence-m-stars
#18
J Manik Nava-Sedeño, Adrian Ortiz-Cervantes, Antígona Segura, Shawn D Domagal-Goldman
Lifeless planets with CO2 atmospheres produce CO by CO2 photolysis. On planets around M dwarfs, CO is a long-lived atmospheric compound, as long as UV emission due to the star's chromospheric activity lasts, and the sink of CO and O2 in seawater is small compared to its atmospheric production. Atmospheres containing reduced compounds, like CO, may undergo further energetic and chemical processing to give rise to organic compounds of potential importance for the origin of life. We calculated the yield of organic compounds from CO2-rich atmospheres of planets orbiting M dwarf stars, which were previously simulated by Domagal-Goldman et al...
October 4, 2016: Astrobiology
https://www.readbyqxmd.com/read/27690448/structural-basis-of-tonic-inhibition-by-dimers-of-dimers-in-hyperpolarization-activated-cyclic-nucleotide-modulated-hcn-ion-channels
#19
Bryan VanSchouwen, Giuseppe Melacini
The hyperpolarization-activated cyclic-nucleotide-modulated (HCN) ion channels control rhythmicity in neurons and cardiomyocytes. Cyclic AMP (cAMP) modulates HCN activity through cAMP-dependent formation of a tetrameric gating ring spanning the intracellular region (IR) of HCN. In the absence of cAMP, the IR cAMP-binding domain (CBD) mainly samples its inactive conformation, resulting in steric clashes that destabilize the IR tetramer. Although these clashes with the inactive CBD are released through tetramer dissociation into monomers, functional mutagenesis suggests that the apo IR is not fully monomeric...
October 3, 2016: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/27687077/a-proposal-for-a-test-method-for-assessment-of-hazard-property-hp-12-release-of-an-acute-toxic-gas-in-hazardous-waste-classification-experience-from-49-waste
#20
Pierre Hennebert, Ismahen Samaali, Pauline Molina
A stepwise method for assessment of the HP 12 is proposed and tested with 49 waste samples. The hazard property HP 12 is defined as "Release of an acute toxic gas": waste which releases acute toxic gases (Acute Tox. 1, 2 or 3) in contact with water or an acid. When a waste contains a substance assigned to one of the following supplemental hazards EUH029, EUH031 and EUH032, it shall be classified as hazardous by HP 12 according to test methods or guidelines (EC, 2014a, 2014b). When the substances with the cited hazard statement codes react with water or an acid, they can release HCl, Cl2, HF, HCN, PH3, H2S, SO2 (and two other gases very unlikely to be emitted, hydrazoic acid HN3 and selenium oxide SeO2 - a solid with low vapor pressure)...
September 26, 2016: Waste Management
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