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Andreas V Copan, Alexander Yu Sokolov
We present a linear-response formulation of density cumulant theory (DCT) that provides a balanced and accurate description of many electronic states simultaneously. In the original DCT formulation, only information about a single electronic state (usually, the ground state) is obtained. We discuss the derivation of linear-response DCT, present its implementation for the ODC-12 method (LR-ODC-12), and benchmark its performance for excitation energies in small molecules (N2 , CO, HCN, HNC, C2 H2 , and H2 CO), as well as challenging excited states in ethylene, butadiene, and hexatriene...
June 21, 2018: Journal of Chemical Theory and Computation
François David, Nihan Çarçak, Szabina Furdan, Filiz Onat, Timothy Gould, Ádám Mészáros, Giuseppe Di Giovanni, Vivian M Hernández, C Savio Chan, Magor L Lőrincz, Vincenzo Crunelli
Hyperpolarization-activated cyclic nucleotide-gated (HCN) channels and the Ih current they generate contribute to the pathophysiological mechanisms of absence seizures (ASs), but their precise role in neocortical and thalamic neuronal populations, the main components of the network underlying AS generation remains controversial. In diverse genetic AS models, Ih amplitude is smaller in neocortical neurons and either larger or unchanged in thalamocortical (TC) neurons compared to non-epileptic strains. A lower expression of neocortical HCN subtype 1 channels is present in genetic AS-prone rats and HCN2 Knock-Out mice exhibit ASs...
June 20, 2018: Journal of Neuroscience: the Official Journal of the Society for Neuroscience
Simone Thirstrup Andersen, Sofie Askjar Hass, Louise Boge Frederickson, Ole John Nielsen
Smog chamber/Fourier transform infrared (FTIR) techniques were used to measure the kinetics of the reaction of n-CH2=CH(CH2)xCN (x = 0-4) with Cl atoms, OH radicals and O3: k(CH2=CHCN + Cl) = (1.03 ± 0.13) × 10-10, k(CH2=CHCH2CN + Cl) = (2.02 ± 0.35) × 10-10, k(CH2=CH(CH2)2CN + Cl) = (2.75 ± 0.45) × 10-10, k(CH2=CHCN + OH) = (4.21 ± 0.95) × 10-12, k(CH2=CHCH2CN + OH) = (1.55 ± 0.34) × 10-11, k(CH2=CH(CH2)2CN + OH) = (2.98 ± 0.64) × 10-11, k(CH2=CH(CH2)3CN + OH) = (3.34 ± 0.64) × 10-11, k(CH2=CH(CH2)4CN + OH) = (3...
June 20, 2018: Journal of Physical Chemistry. A
Andrea Saponaro, Francesca Cantini, Alessandro Porro, Annalisa Bucchi, Dario DiFrancesco, Vincenzo Maione, Chiara Donadoni, Bianca Introini, Pietro Mesirca, Matteo Elia Mangoni, Gerhard Thiel, Lucia Banci, Bina Santoro, Anna Moroni
Binding of TRIP8b to the cyclic nucleotide binding domain (CNBD) of mammalian HCN channels prevents their regulation by cAMP. Since TRIP8b is expressed exclusively in the brain, we envisage that it can be used for orthogonal control of HCN channels beyond the central nervous system. To this end, we have identified by rational design a 40-aa long peptide (TRIP8bnano ) that recapitulates affinity and gating effects of TRIP8b in HCN isoforms (human hHCN1, mHCn2, rbHCN4) and in the cardiac current If in rabbit and mouse sinoatrial node cardiomyocytes...
June 20, 2018: ELife
Preet G S Makker, José Manuel Matamala, Susanna B Park, Justin G Lees, Matthew C Kiernan, David Burke, Gila Moalem-Taylor, James Howells
Non-invasive nerve excitability techniques have provided valuable insight into the understanding of neurological disorders. The widespread use of mice in translational research on peripheral nerve disorders and by pharmaceutical companies during drug development requires valid and reliable models that can be compared to humans. This study established a novel experimental protocol that enables comparative assessment of the excitability properties of motor and sensory axons at the same site in mouse caudal nerve, compared the mouse data to data for motor and sensory axons in human median nerve at the wrist, and constructed a mathematical model of the excitability of mouse axons...
June 19, 2018: Journal of the Peripheral Nervous System: JPNS
Yingcong Yang, Zhongyuan Xia, Qingtao Meng, Kang Liu, Yeda Xiao, Liwei Shi
This study was designed to examine the effect and mechanism of dexmedetomidine (Dex) on neuropathic pain (NP). The NP model was established by performing chronic sciatic nerve constriction injury (CCI). Seven days after CCI surgery, the rats were injected intraperitoneally with Dex, ZD7288 (an HCN channel inhibitor), and saline, respectively. The paw withdrawal threshold to mechanical stimulation and the thermal withdrawal latency tests were performed. After administration, the L4, L5 dorsal root ganglia (DRG) neurons of rats were isolated...
June 14, 2018: Neuroreport
Timothy F Musial, Elizabeth Molina-Campos, Linda A Bean, Natividad Ybarra, Ronen Borenstein, Matthew L Russo, Eric W Buss, Daniel Justus, Krystina M Neuman, Gelique D Ayala, Sheila A Mullen, Yuliya Voskobiynyk, Christopher T Tulisiak, Jasmine A Fels, Nicola J Corbett, Gabriel Carballo, Colette D Kennedy, Jelena Popovic, Josefina Ramos-Franco, Michael Fill, Melissa R Pergande, Jeffrey A Borgia, Grant T Corbett, Kalipada Pahan, Ye Han, Dane M Chetkovich, Robert J Vassar, Richard W Byrne, M Matthew Oh, Travis R Stoub, Stefan Remy, John F Disterhoft, Daniel A Nicholson
Voltage-gated ion channels are critical for neuronal integration. Some of these channels, however, are misregulated in several neurological disorders, causing both gain- and loss-of-function channelopathies in neurons. Using several transgenic mouse models of Alzheimer's disease (AD), we find that sub-threshold voltage signals strongly influenced by hyperpolarization-activated, cyclic nucleotide-gated (HCN) channels progressively deteriorate over chronological aging in hippocampal CA1 pyramidal neurons. The progressively degraded signaling via HCN channels in the transgenic mice is accompanied by an age-related global loss of their non-uniform dendritic expression...
June 12, 2018: Neurobiology of Learning and Memory
Amparo Fernández, Marta Ruiz-Bermejo, José L de la Fuente
The kinetics of the reaction of the synthesis of HCN polymers in aqueous medium at high temperatures have been analysed to ascertain a suitable model for this material, for which it was recently demonstrated that prebiotic chemistry may now be adapted in the development of a new generation of high performance coatings and adhesives with biomedical applications. These experimental conditions were chosen for the simplicity of the reagents, being particularly convenient in regard to potential industrial scale-up of coating technology, where these polymers have revealed an interesting field of application...
June 15, 2018: Physical Chemistry Chemical Physics: PCCP
Xin-Lu Yin, Hui-Qun Jie, Min Liang, Li-Na Gong, Han-Wei Liu, Hao-Lai Pan, Ya-Zhi Xing, Hai-Bo Shi, Chun-Yan Li, Lu-Yang Wang, Shan-Kai Yin
In developing sensory systems, elaborate morphological connectivity between peripheral cells and first-order central neurons emerges via genetic programming before the onset of sensory activities. However, how the first-order central neurons acquire the capacity to interface with peripheral cells remains elusive. By making patch-clamp recordings from mouse brainstem slices, we found that a subset of neurons in the cochlear nuclei, the first central station to receive peripheral acoustic impulses, exhibits spontaneous firings (SFs) as early as at birth, and the fraction of such neurons increases during the prehearing period...
2018: Frontiers in Molecular Neuroscience
Davit Hayrapetyan, Raja K Rit, Markus Kratz, Kristina Tschulik, Lukas J Goossen
A straightforward method for the electrochemical C-H cyanation of arenes and heteroarenes is reported that proceeds at room temperature in MeOH, with NaCN as the reagent in a simple, open, undivided electrochemical cell. The platinum electrodes are passivated by adsorbed cyanide, which allow conversion of an exceptionally broad range of electron-rich substrates all the way down to dialkyl arenes. The cyanide electrolyte can be replenished with HCN, opening opportunities for salt-free industrial C-H cyanation...
June 14, 2018: Chemistry: a European Journal
Sahil Aggarwal, Luke Yu, Bima Hasjim, Debora H Lee, Esther Kim, Jonathan B Lee, Katrina Lee, Christina Tse, Alexander Anshus, Allen R Yu, Michael Louthan, Thomas Keown, Christopher Gabriel, Catherine Diamond
Background: Young people living with human immunodeficiency virus (HIV)/acquired immune deficiency syndrome (AIDS) (PLWA) are at risk for HIV stigma. Methods: The HIV/AIDS Stigma Instrument for PLWA was administered to 36 young PLWA across six clinics in Bandung, Indonesia, to assess the fear of contagion (FC), verbal abuse (VA), social isolation (SI), workplace stigma (WS), health care neglect (HCN) and negative self-perception (NSP). Results: The median scores for FC, VA, SI, WS and HCN were all 0 while the median score for NSP was 4...
June 12, 2018: International Health
Lanwei Hou, Yujuan Guo, Bo Lian, Yanyu Wang, Changjiang Li, Gang Wang, Qi Li, Jinjing Pang, Hongwei Sun, Lin Sun
Withdrawal from ethanol dependence has been associated with heightened anxiety and reduced expression of Brain-derived neurotropic factor which promotes the synaptic transmission and plasticity of synapses. Hyperpolarization-activated cyclic nucleotide-gated channel 1 regulates expression; however, whether Hyperpolarization-activated cyclic nucleotide-gated channel 1-related Brain-derived neurotropic factor is involved in the synaptic ultrastructure that generates withdrawal-anxiety has been poorly perceived...
2018: Frontiers in Psychiatry
Axel D Becke, Stephen G Dale, Erin R Johnson
It has been known for over twenty years that density functionals of the generalized-gradient approximation (GGA) type and exact-exchange-GGA hybrids with low exact-exchange mixing fraction yield enormous errors in the properties of charge-transfer (CT) complexes. Manifestations of this error have also plagued computations of CT excitation energies. GGAs transfer far too much charge in CT complexes. This error has therefore come to be called "delocalization" error. It remains, to this day, a vexing unsolved problem in density-functional theory (DFT)...
June 7, 2018: Journal of Chemical Physics
Nicole Silbernagel, Magdalena Walecki, Martin K-H Schäfer, Mirjam Kessler, Mehrnoush Zobeiri, Susanne Rinné, Aytug K Kiper, Marlene A Komadowski, Kirsty S Vowinkel, Konstantin Wemhöner, Lisa Fortmüller, Marcus Schewe, Amalia M Dolga, Jelena Scekic-Zahirovic, Lina A Matschke, Carsten Culmsee, Thomas Baukrowitz, Laurent Monassier, Nina D Ullrich, Luc Dupuis, Steffen Just, Thomas Budde, Larissa Fabritz, Niels Decher
Hyperpolarization-activated cyclic nucleotide-gated (HCN) channels encode neuronal and cardiac pacemaker currents. The composition of pacemaker channel complexes in different tissues is poorly understood, and the presence of additional HCN modulating subunits was speculated. Here we show that vesicle-associated membrane protein-associated protein B (VAPB), previously associated with a familial form of amyotrophic lateral sclerosis 8, is an essential HCN1 and HCN2 modulator. VAPB significantly increases HCN2 currents and surface expression and has a major influence on the dendritic neuronal distribution of HCN2...
June 7, 2018: FASEB Journal: Official Publication of the Federation of American Societies for Experimental Biology
Vani Jaswal, Jeyanthi Palanivelu, Ramalingam C
Conventional and Alternative Medicine (CAM) is popularly used due to side-effects and failure of approved methods, for diseases like Epilepsy and Cancer. Amygdalin, a cyanogenic diglycoside is commonly administered for cancer with other CAM therapies like vitamins and seeds of fruits like apricots and bitter almonds, due to its ability to hydrolyse to hydrogen cyanide (HCN), benzaldehyde and glucose. Over the years, several cases of cyanide toxicity on ingestion have been documented. In-vitro and in-vivo studies using various doses and modes of administration, like IV administration studies that showed no HCN formation, point to the role played by the gut microbiota for the commonly seen poisoning on consumption...
July 2018: Biochemistry and Biophysics Reports
Adal Mussa, Tadege Million, Fassil Assefa
AIM: The main aim of this work was to examine the plant growth promoting, biocontrol activities and stress competency of grass pea rhizobacterial strains from Ethiopia. METHODS AND RESULTS: Serial dilutions were carried out to isolate rhizobacterial strains from the rhizosphere soil samples. The isolates were characterized for their plant growth promoting, biocontrolling and stress tolerance potential. The isolates that showed better performance in the tested parameters were identified by 16S rRNA gene sequencing...
June 5, 2018: Journal of Applied Microbiology
Sha-Sha Yang, Yan-Chun Li, Austin A Coley, Linda A Chamberlin, Ping Yu, Wen-Jun Gao
H-current, also known as hyperpolarization-activated current (Ih), is an inward current generated by the hyperpolarization-activated cyclic nucleotide-gated (HCN) cation channels. Ih plays an essential role in regulating neuronal properties, synaptic integration and plasticity, and synchronous activity in the brain. As these biological factors change across development, the brain undergoes varying levels of vulnerability to disorders like schizophrenia that disrupt prefrontal cortex (PFC)-dependent function...
2018: Frontiers in Synaptic Neuroscience
L Djouhri, T Smith, M Alotaibi, X Weng
NEW FINDINGS: What is the central question of this study? Is spontaneous activity (SA) in L4-DRG neurons induced by L5 spinal nerve axotomy is associated with membrane potentials oscillations in theses neurons, and are these membrane oscillations mediated by HCN channels? What is the main finding and its importance? Unlike injured L5 DRG neurons which have been shown to be incapable of firing spontaneously without membrane potentials oscillations, such membrane oscillations are not essential for SA generation in conducting "uninjured'' L4 neurons, and they are not mediated by HCN channels...
June 3, 2018: Experimental Physiology
Xingjie Zhang, Xin Xie, Yuanhong Liu
The first efficient and general nickel-catalyzed hydrocyanation of terminal alkynes with Zn(CN)2 in the presence of water has been developed. The reaction provides a novel and regioselective protocol for the synthesis of functionalized vinyl nitriles with a wide range of structural diversity under mild reaction conditions while obviating the use of the volatile and hazardous reagent of HCN. Deuterium-labeling experiments confirmed the role of water as the hydrogen source in this hydrocyanation reaction.
May 31, 2018: Journal of the American Chemical Society
Xiaoyu Liu, Lidong Zhang, Li Jin, Yuanhui Tan, Weiyan Li, Jun Tang
Emerging evidence showed that hyperpolarization-activated cation channels (HCN) participate in the development of inflammatory and neuropathic pain. However, the role of HCN2 in oxaliplatin-induced neuropathic pain remains unknown. Here, we found that HCN2 expression was upregulated in a rat model of oxaliplatin-induced neuropathic pain. Intrathecal injection of ZD7288, an HCN specific inhibitor, decreased the HCN2 level, as well as weakened the neuropathic pain behaviors compared to naive rats. Besides, mechanistic studies revealed that the expression of the spinal N-methyl-D-aspartate receptor subunit 2B was increased after oxaliplatin administration and was reduced by ZD7288 administration...
January 2018: Molecular Pain
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