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Qian Liu, Zhou Long, Xingyou Dong, Teng Zhang, Jiang Zhao, Bishao Sun, Jingzhen Zhu, Jia Li, Qingqing Wang, Zhenxing Yang, Xiaoyan Hu, Longkun Li
Hyperpolarization-activated cyclic nucleotide-gated (HCN) channels are confirmed to be expressed in bladder interstitial Cajal-like cells (ICC-LCs), but little is known about their possible role in cystitis-associated bladder dysfunction. The present study aimed to determine the functional role of HCN channels in regulating bladder function under inflammatory conditions. Sixty female wild-type C57BL/6J mice and sixty female HCN1-knockout mice were randomly assigned to experimental and control groups, respectively...
April 21, 2017: Experimental & Molecular Medicine
Gabriel S Vignoli Muniz, Christian F Mejía, Rafael Martinez, Basile Auge, Hermann Rothard, Alicja Domaracka, Philippe Boduch
The presence of nucleobases in carbonaceous meteorites on Earth is an indication of the existence of this class of molecules in outer space. However, space is permeated by ionizing radiation, which can have damaging effects on these molecules. Adenine is a purine nucleobase that amalgamates important biomolecules such as DNA, RNA, and ATP. Adenine has a unique importance in biochemistry and therefore life. The aim of this work was to study the effects of cosmic ray analogues on solid adenine and estimate its survival when exposed to corpuscular radiation...
April 2017: Astrobiology
C S Kim, D H Brager, D Johnston
Chronic stress can be a precipitating factor in the onset of depression. Lentiviral-mediated knockdown of HCN1 protein expression and reduction of functional Ih produce antidepressant behavior. However, whether h-channels are altered in an animal model of depression is not known. We found that perisomatic HCN1 protein expression and Ih-sensitive physiological measurements were significantly increased in dorsal but not in ventral CA1 region/neurons following chronic unpredictable stress (CUS), a widely accepted model for major depressive disorder...
April 18, 2017: Molecular Psychiatry
L M Vasconcelos, A C Brito, C D Carmo, P H G A Oliveira, E J Oliveira
Demand for the development of cassava varieties with different native starches has guided the search for these characteristics in the germplasm of Manihot esculenta Crantz. Therefore, the objective of this study was to estimate the genetic diversity of cassava accessions for root and starch granule characteristics to guide the future industrial application of this species. Starches from 56 accessions were evaluated for the number of granules in 1 g of starch (NTG), area (AG, μm(2)), length (LG, μm), width (WG, μm), starch granule roundness (Round), dry matter content in the roots (DMC, %), pulp color (PulCo), and cyanogenic compounds (HCN)...
April 13, 2017: Genetics and Molecular Research: GMR
Juan-Carlos Lizardo-Huerta, Baptiste Sirjean, Laurent Verdier, René Fournet, Pierre-Alexandre Glaude
The destruction of stockpiles or unexploded ammunitions of nitrogen mustard (tris(2-chloroethyl)amine, HN-3) requires the development of safe processes. The thermal destruction of this kind of compound is one of the most efficient method of destruction. Because of the high-level of toxicity of this chemical, there is a considerable lack of knowledge on the chemical kinetics at high temperatures. In this study, a detailed chemical kinetic model for the pyrolysis of nitrogen mustard gas is developed based on a large number of thermokinetic parameters calculated with theoretical chemistry...
April 20, 2017: Journal of Physical Chemistry. A
Marcin Gronowski, Piotr Eluszkiewicz, Thomas Gage Custer
Formyl cyanide has been detected toward Sgr B2 making this chemical and its potential isomers of astrophysical interest. We calculated the precise energies of the 5 most stable structural isomers of formyl cyanide and found that formyl isocyaniade and 2H-azirin-2-one are less stable than formyl cyanide by 55 and 125 kJ/mol respectively. We present our ab initio coupled cluster predictions of the spectroscopic parameters relevant to their gas phase rotational and vibrational spectroscopy. Parameters include ground vibrational state rotational constants, centrifugal distortion parameters, equilibrium electric dipole moments, and nuclear quadrupole coupling constants...
April 12, 2017: Journal of Physical Chemistry. A
Hamidreza Jouypazadeh, Hossein Farrokhpour, Mohammad Solimannejad
This work evaluated the reliability of the one-dimensional potential energy surface for calculating the spectroscopic properties (rovibrational constants and rotational line energies) of hydrogen bonds in linear bonded complexes by comparing theoretical results with the corresponding experimental results. For this purpose, two hydrogen bonded complexes were selected: the HCN···HCN homodimer and the HCN···HF heterodimer. The one-dimensional potential energy surfaces related to the hydrogen bonds in these complexes were calculated using different computational methods and basis sets...
May 2017: Journal of Molecular Modeling
Zachary M James, Andrew J Borst, Yoni Haitin, Brandon Frenz, Frank DiMaio, William N Zagotta, David Veesler
Cyclic nucleotide-gated (CNG) and hyperpolarization-activated cyclic nucleotide-regulated (HCN) ion channels play crucial physiological roles in phototransduction, olfaction, and cardiac pace making. These channels are characterized by the presence of a carboxyl-terminal cyclic nucleotide-binding domain (CNBD) that connects to the channel pore via a C-linker domain. Although cyclic nucleotide binding has been shown to promote CNG and HCN channel opening, the precise mechanism underlying gating remains poorly understood...
April 10, 2017: Proceedings of the National Academy of Sciences of the United States of America
Washington Barbosa da Silva, Alessandra F Albernaz, Patricia R P Barreto, Eberth Correa
The addition of C2 to HCN is of relevant interest in astrochemistry. We studied the pathways of this addition to produce CCCN and estimated its reaction rate using the Master Equation in the circumstellar environment. From the results of this study, it was possible to show that a different pathway in the Surface Potential Energy-PES can also be investigated. In a circumstellar envelop environment, with temperatures varying between 1000 K and 2000 K, the abundances of these species are favorable to this kind of addition, and our branching ratio for the rate constant showed that the new pathway is more favorable in comparison with other possibilities for this range of temperatures in this environment, and must be taken into account in any computation of the rate constant...
April 2017: Journal of Molecular Modeling
Eduardo C Aguiar, Ricardo L Longo, João Bosco P da Silva
Density functional theory (B3LYP, B3LYP-D2 and wB97XD functionals) was used in finite models of zigzag carbon nanotubes (CNT), (n,0)×k with n = 6-9 and k = 2-4, to systematically investigate the effects of size on their structural and electronic properties. We found that the ratio between the length (L t) and the diameter (d t) of the pristine CNT has to be larger than 2, i.e., L t/d t > 2, in order to provide the observed experimental trends of C=C bond distances, as well as to maintain the atomic charges nearly constant and zero around the center of the tube...
April 2017: Journal of Molecular Modeling
Francesca Eroli, Sandra Vilotti, Arn M J M van den Maagdenberg, Andrea Nistri
Transgenic knock-in (KI) mice that express CaV2.1 channels containing an R192Q gain-of-function mutation in the α1A subunit known to cause familial hemiplegic migraine type-1 in patients, exhibit key disease characteristics and provide a useful tool to investigate pathophysiological mechanisms of pain transduction. Previously, KI trigeminal sensory neurons were shown to exhibit constitutive hyperexcitability due to up-regulation of ATP-gated P2X3 receptors that trigger spike activity at a more negative threshold...
March 29, 2017: Neuroscience
Yuehong Wang, Xiaoyan Li, Yanli Zeng, Lingpeng Meng, Xueying Zhang
The π-hole of triphosphorus hydride (P3H3) and its derivatives Z3X3 (Z = P, As; X = H, F, Cl, Br) was discovered and analyzed. MP2/aug-cc-pVDZ calculations were performed on the π-hole interactions in the HCN...Z3X3 complexes and the mutual influence between π-hole interactions and the hydrogen bond in the HCN...HCN...Z3X3 and HCN...Z3X3...HCN complexes studied. The π-hole interaction belongs to the typical closed-shell noncovalent interaction. The linear relationship was found between the most positive electrostatic potential of the π-hole (VS,max) and the interaction energy...
April 1, 2017: Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
Adam Ossowicki, Sylwia Jafra, Paolina Garbeva
Soil and rhizosphere bacteria produce an array of secondary metabolites including a wide range of volatile organic compounds (VOCs). These compounds play an important role in the long-distance interactions and communication between (micro)organisms. Furthermore, bacterial VOCs are involved in plant pathogens inhibition and induction of soil fungistasis and suppressivenes. In the present study, we analysed the volatile blend emitted by the rhizospheric isolate Pseudomonas donghuensis P482 and evaluated the volatile effect on the plant pathogenic fungi and bacteria as well as one oomycete...
2017: PloS One
Martin Morad, Xiaohua Zhang
The sino-atrial node is the primary site from which the mammalian heart is paced, but the mechanisms underlying the pacemaking still remain clouded. It is generally believed that the hyperpolarization-activated current I<sub><i>f</i></sub>, encoded by Hyperpolarization-activated cyclic nucleotide-gated (HCN) genes, contributes significantly to pacing, which in tandem with inward current generated by efflux of Ca<sup>2+</sup> via the Na<sup>+</sup>-Ca<sup>2+</sup> exchanger (NCX), resulting from the released Ca<sup>2+</sup>, mediates the diastolic depolarization...
March 28, 2017: Canadian Journal of Physiology and Pharmacology
Rikke Kragh Lauridsen, Lea M Sommer, Helle Krogh Johansen, Tomas Rindzevicius, Søren Molin, Lars Jelsbak, Søren Balling Engelsen, Anja Boisen
Pseudomonas aeruginosa is the primary cause of chronic airway infections in cystic fibrosis (CF) patients. Persistent infections are seen from the first P. aeruginosa culture in about 75% of young CF patients, and it is important to discover new ways to detect P. aeruginosa at an earlier stage. The P. aeruginosa biomarker hydrogen cyanide (HCN) contains a triple bond, which is utilized in this study because of the resulting characteristic C≡N peak at 2135 cm(-1) in a Raman spectrum. The Raman signal was enhanced by surface-enhanced Raman spectroscopy (SERS) on a Au-coated SERS substrate...
March 28, 2017: Scientific Reports
Marie-Christine Bacchus-Montabonel
One of the major concerns in prebiotic chemistry is the formation and destruction routes of prebiotic compounds in space. As detected for a long time, hydrogen cyanide (HCN) has been suggested to be a feedstock molecule at the origin of life driving easy oligomerization, in particular to form adenine. This may focus on its first oligomers because its dimer cyanomethanimine was recently observed in star-forming regions, or its trimer aminomalononitrile. With regard to the assumption of an extra-terrestrial origin of life, the stability of such species under ultraviolet radiation or in ion-collisions is an open question...
March 24, 2017: Physical Chemistry Chemical Physics: PCCP
J U Vinay, M K Naik, R Rangeshwaran, G Chennappa, Sohel S Shaikh, R Z Sayyed
Thirty isolates of fluorescent pseudomonads were obtained from rhizosphere of different crops in Raichur, India. The fluorescent pseudomonad strains were characterized in vitro for biochemical traits, antimicrobial traits, and pyoluteorin antibiotic production. All the isolates that showed fluorescent pigment production under UV light were rod shaped, Gram negative, positive for oxidase, catalase and citrate utilization tests, and negative for indole test. Out of 30 isolates, 07 isolates were positive for HCN production, 15 isolates were positive for H2S production, and all the isolates were positive for siderophore production...
December 2016: 3 Biotech
Stuti Sah, Rajni Singh
Pseudomonas, an enormously diverse genus of the γ-Proteobacteria, is an important member of soil microbial communities. In this study, genetic heterogeneity and plant growth promotory property of Pseudomonas was compared within the group Pseudomonas sensu stricto isolated from the lesser explored niches of Himalayan region. A significant difference (P < 0.001 in total Pseudomonas count) was observed among the six types of soil samples collected from oak forest, fine forest, and agricultural soil. The highest numbers of bacteria were isolated from oak forest soil followed by pine forest soil and agricultural soil...
December 2016: 3 Biotech
He Zhao, Fu-de Ren, Yan-Hong Wang
Fifteen configurations and adsorption energies of the adsorption sites of BH3∙∙∙HCN on Co(100) and Co(110) surfaces were investigated using the density functional theory. The results show that after BH3∙∙∙HCN is adsorbed, although there is no general behavior for the H∙∙∙H distances, the adsorption energies of BH3∙∙∙HCN are always far stronger than those of H2 on Co surfaces, suggesting that the dihydrogen-bonded complex, one kind of prospective material for reversible hydrogen storage, can be tightly adsorbed on the surfaces of metals...
April 2017: Journal of Molecular Modeling
Jiafu Wang, Jianghui Meng, Marc Nugent, Minhong Tang, J Oliver Dolly
Botulinum neurotoxins (BoNTs) are the most toxic proteins known, due to inhibiting the neuronal release of acetylcholine and causing flaccid paralysis. Most BoNT serotypes target neurons by binding to synaptic vesicle proteins and gangliosides via a C-terminal binding sub-domain (HCC). However, the role of their conserved N-terminal sub-domain (HCN) has not been established. Herein, we created a mutant form of recombinant BoNT/A lacking HCN (rAΔHCN) and showed that the lethality of this mutant is reduced 3...
March 15, 2017: Scientific Reports
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