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Hayelom G Mengesha, Tadesse B Tafesse, Mohammed H Bule
In 2015, non-communicable diseases accounted for 39.5 million (70%) of the total 56.4 million deaths that occurred globally, of which 17.7 million (45%) were due to cardiovascular diseases. An elevated heart rate is considered to be one of the independent predictors and markers of future cardiovascular diseases. A variety of experimental and epidemiological studies have found that atherosclerosis, heart failure, coronary artery disease, stroke, and arrhythmia are linked to elevated heart rate. Although there are established drugs to reduce the heart rate, these drugs have undesirable side effects...
2017: Frontiers in Pharmacology
Katarzyna Grzelka, Przemysław Kurowski, Maciej Gawlak, Paweł Szulczyk
The medial prefrontal cortex (mPFC) receives dense noradrenergic projections from the locus coeruleus. Adrenergic innervation of mPFC pyramidal neurons plays an essential role in both physiology (control of memory formation, attention, working memory, and cognitive behavior) and pathophysiology (attention deficit hyperactivity disorder, posttraumatic stress disorder, cognitive deterioration after traumatic brain injury, behavioral changes related to addiction, Alzheimer's disease and depression). The aim of this study was to elucidate the mechanism responsible for adrenergic receptor-mediated control of the resting membrane potential in layer V mPFC pyramidal neurons...
2017: Frontiers in Cellular Neuroscience
Daniel P Zaleski, Lawrence B Harding, Stephen J Klippenstein, Branko Ruscic, Kirill Prozument
Chirped-pulse Fourier transform millimeter-wave spectroscopy is a potentially powerful tool for studying chemical reaction dynamics and kinetics. Branching ratios of multiple reaction products and intermediates can be measured with unprecedented chemical specificity: molecular isomers, conformers and vibrational states have distinct rotational spectra. Here we demonstrate chirped-pulse spectroscopy of vinyl cyanide photoproducts in a flow-tube reactor at ambient temperature of 295 K and pressures of 1-10 µbar...
December 1, 2017: Journal of Physical Chemistry Letters
Michael T Brennan, Nathaniel S Treister, Thomas P Sollecito, Brian L Schmidt, Lauren L Patton, Kusha Mohammadi, Leslie Long Simpson, Helen Voelker, James S Hodges, Rajesh V Lalla
BACKGROUND: No evidence-based guidelines exist for preventive dental care before radiation therapy (RT) in patients with head and neck cancer (HNC). An ongoing multicenter, prospective cohort study, Clinical Registry of Dental Outcomes in Head and Neck Cancer Patients (OraRad), is addressing this knowledge gap. The authors evaluated the level of dental disease before RT in the OraRad cohort, factors associated with dental disease, and dental treatment recommendations made before RT. METHODS: As part of OraRad, the authors assessed caries, periodontal disease, dental recommendations, and dental interventions performed before RT...
December 2017: Journal of the American Dental Association
Joseph T Brice, Peter R Franke, Gary E Douberly
Catalytic thermal cracking of O2 is employed to dope helium droplets with O(3P) atoms. Mass spectrometry of the doped droplet beam reveals an O2 dissociation efficiency larger than 60%; approximately 26% of the droplet ensemble is doped with single oxygen atoms. Sequential capture of O(3P) and HCN leads to the production of a hydrogen-bound O-HCN complex in a 3Σ electronic state, as determined via comparisons of experimental and theoretical rovibrational Stark spectroscopy. Ab initio computations of the three lowest lying intermolecular potential energy surfaces reveal two isomers, the hydrogen-bound (3Σ) O-HCN complex and a nitrogen-bound (3Π) HCN-O complex, lying 323 cm-1 higher in energy...
November 27, 2017: Journal of Physical Chemistry. A
Mehrnoush Zobeiri, Rahul Chaudhary, Maia Datunashvili, Robert J Heuermann, Annika Lüttjohann, Venu Narayanan, Sabine Balfanz, Patrick Meuth, Dane M Chetkovich, Hans-Christian Pape, Arnd Baumann, Gilles van Luijtelaar, Thomas Budde
Hyperpolarization-activated cyclic nucleotide-gated cation (HCN) channels have important functions in controlling neuronal excitability and generating rhythmic oscillatory activity. The role of tetratricopeptide repeat-containing Rab8b-interacting protein (TRIP8b) in regulation of hyperpolarization-activated inward current, I h, in the thalamocortical system and its functional relevance for the physiological thalamocortical oscillations were investigated. A significant decrease in I h current density, in both thalamocortical relay (TC) and cortical pyramidal neurons was found in TRIP8b-deficient mice (TRIP8b(-/-))...
November 22, 2017: Brain Structure & Function
Guoqiang Hou, Zhong-Wei Zhang
Maturation of neuronal and synaptic functions during early life is essential for the development of neuronal circuits and behaviors. In newborns synaptic transmission at excitatory synapses is primarily mediated by N-methyl-D-aspartate receptors (NMDARs), and NMDAR-mediated signaling plays an important role in synaptic maturation. Concomitant with synapse development, the intrinsic properties of neurons undergo dramatic changes during early life. However, little is known about the role of NMDARs in the development of intrinsic excitability...
2017: Frontiers in Cellular Neuroscience
G Quintana-Lacaci, J Cernicharo, L Velilla Prieto, M Agúndez, A Castro-Carrizo, J P Fonfría, S Massalkhi, J R Pardo
Context: ALMA is providing us essential information on where certain molecules form. Observing where these molecules emission arises from, the physical conditions of the gas, and how this relates with the presence of other species allows us to understand the formation of many species, and to significantly improve our knowledge of the chemistry that occurs in the space. Aims: We studied the molecular distribution of NaCN around IRC +10216, a molecule detected previously, but whose origin is not clear...
November 2017: Astronomy and Astrophysics
Chiara Giorio, Daniele Marton, Gianni Formenton, Andrea Tapparo
Hydrogen cyanide is a ubiquitous gas in the atmosphere and a biomass burning tracer. Reactive gasses can be adsorbed onto aerosol particles where they can promote heterogeneous chemistry. In the present study, we report for the first time on the measurement and speciation of cyanides in atmospheric aerosol. Filter samples were collected at an urban background site in the city center of Padua (Italy), extracted and analyzed with headspace gas chromatography and nitrogen-phosphorous detection. The results showed that strongly bound cyanides were present in all aerosol samples at a concentration ranging between 0...
November 17, 2017: Environmental Science & Technology
Carlos Martín-Fernández, M Merced Montero-Campillo, Ibon Alkorta, Manuel Yáñez, Otilia Mó, José Elguero
The proton affinity of the hydroxyl group of a series of compounds YHxOH (x=0-3, Y = Li, Na, Be, Mg, B, Al, Si, P, S, Cl, H) always increases upon interaction with Lewis bases LB = NH3, H2CNH, HCN, according to electronic structure calculations carried out at the G4 level of theory. The LB:YHxOH complexes experiment proton affinity enhancements from 24.8 to 304.8 kJ·mol-1 on its OH group with respect to the free compounds. This enhancement is related to the ability of these YHxOH compounds, acting as Lewis acids, to form non-covalent interactions of different kinds...
November 16, 2017: Chemistry: a European Journal
Jiu Pang, Qun Yang, Xiaosong Ma, Liming Wang, Chunjian Tan, Daxi Xiong, Huaiyu Ye, Xianping Chen
The sensing performances of pristine and X-doped phosphorene substrates (X = Al, Si, and S atoms) toward the adsorption of the toxic gases HCN and HNC were systematically investigated by first-principles simulations. The numerical results show that the pristine phosphorene is sensitive to HCN and HNC molecules with moderate adsorption energy, excellent charge transfer, high sensitivity and selectivity, implying its potential applications as excellent HCN and HNC sensors. In addition, the Al-doped phosphorene exhibits extremely high reactive activity toward HCN and HNC gases; thus, it has potential for use as a metal-free catalyst for activating or catalyzing HCN or HNC adsorbates...
November 22, 2017: Physical Chemistry Chemical Physics: PCCP
Debdutta Chakraborty, Pratim Kumar Chattaraj
The viability of sequestering gas molecules (CO, NO, CO2 , NO2 , N2 O, O2 , O3 , H2 O, NH3 , H2 , CH3 OH, CH3 F, C2 H5 F, C2 H2 , C2 H4 , HCN, and SO2 ) on the Al12 Be cluster is investigated by carrying out density functional theory based computations. Thermochemical as well as energetic considerations suggest that Al12 Be cluster adsorbs the chosen gas molecules in a favorable fashion. The gas molecules attain an activated state on getting adsorbed on the metal cluster as vindicated by Atoms-in-Molecule analysis...
November 1, 2017: Journal of Computational Chemistry
Steven Cordeiro Matos, Maria Zamfir, Geraldine Longo, Alfredo Ribeiro-da-Silva, Philippe Séguéla
Functional changes in hyperpolarization-activated and cyclic nucleotide-gated (HCN) channels have been shown to contribute to medial prefrontal (mPFC) hyperexcitability after peripheral nerve injury. A reduction in the open probability of these neuronal channels might be relevant since this can enhance membrane input resistance and synaptic summation. However, the molecular mechanisms underlying neuropathy-associated alterations in HCN channel activity remain elusive. Using the spared nerve injury model of neuropathic pain in Long-Evans rats, we first discovered a significant increase in noradrenergic innervation within the mPFC of nerve-injured compared to control animals...
November 1, 2017: Brain Structure & Function
Stanka V Jerosimić, Franco A Gianturco, Roland Wester
The direct dynamical paths leading to Associative Detachment (AD) in the gas-phase, and specifically in the low-temperature regions of the Dark Molecular Clouds (DMC) in the ISM, or in cold trap laboratory experiments, are investigated with quantum chemical methods by using a high-level multi-reference Configuration Interaction (CI) approach that employs single and double excitations plus Davidson perturbative correction [MRSDCI(Q)] and the d-aug-cc-pV5Z basis set. The potential energy curves for H + CN(-) are constructed for different directions of the H partner approaching the CN(-) anion within the framework of the Born-Oppenheimer approximation...
November 1, 2017: Physical Chemistry Chemical Physics: PCCP
Xiao-le Liu, Guang-Hui Chen, Xiu-Jun Wang, Peng Li, Yi-Bing Song, Rui-Yan Li
The adsorption capacities of a heterometallic metal-organic framework (CPM-200-In/Mg) to VOCs (HCHO, C2H4, CH4, C2H2, C3H8, C2H6, C2H3Cl, C2H2Cl2, CH2Cl2 and CHCl3) and some inorganic gas molecules (HCN, SO2, NO, CO2, CO, H2S and NH3), as well as its selectivity in ternary mixture systems of natural gas and post-combustion flue gas are theoretically explored at the grand canonical Monte Carlo (GCMC) and density functional theory (DFT) levels. It is shown that CPM-200-In/Mg is suitable for the adsorption of VOCs, particularly for HCHO (up to 0...
November 1, 2017: Physical Chemistry Chemical Physics: PCCP
Ibon Alkorta, Anthony C Legon
It is shown that the dissociation energy D e for the process B⋯A = B + A for 250 complexes B⋯A composed of 11 Lewis bases B (N₂, CO, HC≡CH, CH₂=CH₂, C₃H₆, PH₃, H₂S, HCN, H₂O, H₂CO and NH₃) and 23 Lewis acids (HF, HCl, HBr, HC≡CH, HCN, H₂O, F₂, Cl₂, Br₂, ClF, BrCl, H₃SiF, H₃GeF, F₂CO, CO₂, N₂O, NO₂F, PH₂F, AsH₂F, SO₂, SeO₂, SF₂, and SeF₂) can be represented to good approximation by means of the equation D e = c ' N B E A , in which N B is a numerical nucleophilicity assigned to B, E A is a numerical electrophilicity assigned to A, and c ' is a constant, conveniently chosen to have the value 1...
October 23, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Margarita R Marín-Yaseli, Miguel Moreno, José L de la Fuente, Carlos Briones, Marta Ruiz-Bermejo
HCN polymerization is one of the most important and fascinating reactions in prebiotic chemistry, and interest in HCN polymers in the field of materials science is growing. However, little is known about the kinetics of the HCN polymerization process. In the present study, a first approach to the kinetics of two sets of aqueous HCN polymerizations, from NH4CN and NaCN, at middle temperatures between 4 and 38°C, has been carried out. For each series, the presence of air and salts in the reaction medium has been systematically explored...
October 12, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Melody Li, Snezana Maljevic, A Marie Phillips, Slave Petrovski, Michael Hildebrand, Rosemary Burgess, Therese Mount, Federico Zara, Pasquale Striano, Julian Schubert, Holger Thiele, Peter Nürnberg, Michael Wong, Judith L Weisenberg, Liu Lin Thio, Holger Lerche, Ingrid E Scheffer, Samuel F Berkovic, Steven Petrou, Christopher A Reid
Genetic generalized epilepsy (GGE) is a common epilepsy syndrome that encompasses seizure disorders characterized by spike-and-wave discharges (SWDs). Pacemaker hyperpolarization-activated cyclic nucleotide-gated channels (HCN) are considered integral to SWD genesis, making them an ideal gene candidate for GGE. We identified HCN2 missense variants from a large cohort of 585 GGE patients, recruited by the Epilepsy Phenome-Genome Project (EPGP), and performed functional analysis using two-electrode voltage clamp recordings from Xenopus oocytes...
October 24, 2017: Human Mutation
Noriyuki Nakashima, Kie Nakashima, Takeo Nakayama, Akiko Takaku, Ryosuke Kanamori
The hyperpolarization-activated cyclic nucleotide-gated 2 (HCN2) channel is a major subtype of the HCN channel family expressed in the nervous system that sets the membrane potential, regulates cell excitability and senses changes in the extracellular environment. Neurons express various Gαs-protein-coupled receptors (GPCRs), many of which show ligand-independent constitutive activity. These membrane-bound proteins are expressed in various subcellular compartments of neurons. Therefore, some proportion of HCN2 channels opens in response to the basal cAMP pool size produced by constitutively active GPCRs...
December 9, 2017: Biochemical and Biophysical Research Communications
Zhanmin Sun, Kaixuan Zhang, Cheng Chen, Yanmin Wu, Yixiong Tang, Milen I Georgiev, Xinquan Zhang, Min Lin, Meiliang Zhou
The natural products cyanogenic glycosides (CNglcs) are present in various forage plant species including Sorghum spp., Trifolium spp., and Lotus spp. The release of toxic hydrogen cyanide (HCN) from endogenous CNglcs, which is known as cyanogenesis, leads to a serious problem for animal consumption while as defensive secondary metabolites, CNglcs play multiple roles in plant development and responses to adverse environment. Therefore, it is highly important to fully uncover the molecular mechanisms of CNglc biosynthesis and regulation to manipulate the contents of CNglcs in forage plants for fine-tuning the balance between defensive responses and food safety...
October 12, 2017: Applied Microbiology and Biotechnology
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