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![Cover Image for Computation Provides Chemical Insight into the Diverse Hydride NMR Chemical Shifts of [Ru(NHC)<sub>4</sub>(L)H]<sup>0/+</sup> Species (NHC = N-heterocyclic carbene; L = vacant, H<sub>2</sub>, N<sub>2</sub>, CO, MeCN, O<sub>2</sub>, P<sub>4</sub>, SO<sub>2</sub>, H<sup>-</sup>, F<sup>-</sup> and Cl<sup>-</sup>) and their [Ru(R<sub>2</sub>PCH<sub>2</sub>CH<sub>2</sub>PR<sub>2</sub>)<sub>2</sub>(L)H]<sup>+</sup> Congeners](https://coverimages.igi-global.com/images/search-article.png)
Computation Provides Chemical Insight into the Diverse Hydride NMR Chemical Shifts of [Ru(NHC)<sub>4</sub>(L)H]<sup>0/+</sup> Species (NHC = N-heterocyclic carbene; L = vacant, H<sub>2</sub>, N<sub>2</sub>, CO, MeCN, O<sub>2</sub>, P<sub>4</sub>, SO<sub>2</sub>, H<sup>-</sup>, F<sup>-</sup> and Cl<sup>-</sup>) and their [Ru(R<sub>2</sub>PCH<sub>2</sub>CH<sub>2</sub>PR<sub>2</sub>)<sub>2</sub>(L)H]<sup>+</sup> Congeners
L J L Haller, Elena Mas-Marza, Mateusz K Cybulski, Rajashekharayya A Sanguramath, Stuart A Macgregor, Mary F Mahon, Christophe Raynaud, Christopher A Russell, Michael K Whittlesey
Mar 07, 2017
Relativistic density functional theory calculations, both with and without the effects of spin–orbit coupling, have been employed to model hydride NMR chemical shifts for a series of [Ru(NHC)4(L)H]0/+ species (NHC =...
Computation Provides Chemical Insight into the Diverse Hydride NMR Chemical Shifts of [Ru(NHC)<sub>4</sub>(L)H]<sup>0/+</sup> Species (NHC = N-heterocyclic carbene; L = vacant, H<sub>2</sub>, N<sub>2</sub>, CO, MeCN, O<sub>2</sub>, P<sub>4</sub>, SO<sub>2</sub>, H<sup>-</sup>, F<sup>-</sup> and Cl<sup>-</sup>) and their [Ru(R<sub>2</sub>PCH<sub>2</sub>CH<sub>2</sub>PR<sub>2</sub>)<sub>2</sub>(L)H]<sup>+</sup> Congeners
L J L Haller, Elena Mas-Marza, Mateusz K Cybulski, Rajashekharayya A Sanguramath, Stuart A Macgregor, Mary F Mahon, Christophe Raynaud, Christopher A Russell, Michael K Whittlesey
Mar 07, 2017
Relativistic density functional theory calculations, both with and without the effects of spin–orbit coupling, have been employed to model hydride NMR chemical shifts for a series of [Ru(NHC)4(L)H]0/+ species (NHC =...
Relationships between resting conductances, excitability, and t-system ionic homeostasis in skeletal muscle.
Activation of skeletal muscle fibers requires rapid sarcolemmal action potential (AP) conduction to ensure uniform excitation along the fiber length, as well as successful tubular excitation to initiate excitation-contraction...
Shuffled Shepherd Squirrel Optimization and Fractional LMS Model for In-Network Aggregation in Wireless Sensor Network
The wireless sensor network (WSN) is commonly based on small node collaboration. These nodes are specified by wireless communication, low price, and energy consumption. Moreover, the WSN can be utilized to compute pressure...
Published by: IGI Global Scientific Publishing
Semi‑continuous pilot‑scale microbial oil production with Metschnikowia pulcherrima on starch hydrolysate
Felix Abeln, Robert H. Hicks, Hadiza Auta, Mauro Moreno-Beltrán, Luca Longanesi, Daniel H. Henk, Christopher J. Chuck
Jul 16, 2020
Background: Heterotrophic microbial oils are potentially a more sustainable alternative to vegetable or fossil oils for food and fuel applications. However, as almost all work in the area is conducted on the laboratory scale...
Semi‑continuous pilot‑scale microbial oil production with Metschnikowia pulcherrima on starch hydrolysate
Felix Abeln, Robert H. Hicks, Hadiza Auta, Mauro Moreno-Beltrán, Luca Longanesi, Daniel H. Henk, Christopher J. Chuck
Jul 16, 2020
Background: Heterotrophic microbial oils are potentially a more sustainable alternative to vegetable or fossil oils for food and fuel applications. However, as almost all work in the area is conducted on the laboratory scale...
Cooperative assembly of H-bonded rosettes inside a porphyrin nanoring.
The melamine·barbiturate H-bonded rosette motif is of comparable dimensions and symmetry to the cavity of a butadiyne-linked 6-porphyrin nanoring. Functionalisation of each of the barbiturate components and the pyrimidine...
Published by: Chemical science
Ruthenium(II)-Catalyzed C–H Functionalization Using the Oxazolidinone Heterocycle as a Weakly Coordinating Directing Group
Jamie A. Leitch, Philippe B. Wilson, Claire L. McMullin, Mary F. Mahon, Yunas Bhonoah, Ian H. Williams, Christopher G. Frost
Jul 27, 2016
Herein, we report the ruthenium-catalyzed ortho C–H alkenylation of a wide range of N-aryloxazolidinone scaffolds. Alkenylation was achieved with complete monoselectivity with a scope of 27 examples in 2-MeTHF. Yields ranged...
Ruthenium(II)-Catalyzed C–H Functionalization Using the Oxazolidinone Heterocycle as a Weakly Coordinating Directing Group
Jamie A. Leitch, Philippe B. Wilson, Claire L. McMullin, Mary F. Mahon, Yunas Bhonoah, Ian H. Williams, Christopher G. Frost
Jul 27, 2016
Herein, we report the ruthenium-catalyzed ortho C–H alkenylation of a wide range of N-aryloxazolidinone scaffolds. Alkenylation was achieved with complete monoselectivity with a scope of 27 examples in 2-MeTHF. Yields ranged...
Cardiac arrhythmogenesis
Around 3.7 million individuals worldwide die each year from cardiac arrhythmias; this exceeds the total numbers of deaths from all cancers in the Western world. Despite major progress in interventional including device therapy...
Cardiac sodium channel complexes and arrhythmia
In cardiac myocytes, the voltage-gated sodium channel NaV 1.5 opens in response to membrane depolarisation and initiates the action potential. The NaV 1.5 channel is typically associated with regulatory β-subunits that modify...
Ruthenium-Catalyzed para-Selective C−H Alkylation of Aniline Derivatives
Jamie A. Leitch, Claire L. McMullin, Andrew J. Paterson, Mary F. Mahon, Yunas Bhonoah, Christopher G. Frost
Nov 20, 2017
The para-selective C−H alkylation of aniline derivatives furnished with a pyrimidine auxiliary is herein reported. This reaction is proposed to take place via an N−H-activated cyclometalate formed in situ. Experimental and DFT...
Ruthenium-Catalyzed para-Selective C−H Alkylation of Aniline Derivatives
Jamie A. Leitch, Claire L. McMullin, Andrew J. Paterson, Mary F. Mahon, Yunas Bhonoah, Christopher G. Frost
Nov 20, 2017
The para-selective C−H alkylation of aniline derivatives furnished with a pyrimidine auxiliary is herein reported. This reaction is proposed to take place via an N−H-activated cyclometalate formed in situ. Experimental and DFT...
ECG Restitution Analysis and Machine Learning to Detect Paroxysmal Atrial Fibrillation
Ying H Huang, Vadim Alexeenko, Gary Tse, Christopher L-H Huang, Celia M Marr, Kamalan Jeevaratnam
Apr 25, 2022
Atrial fibrillation is the most frequent arrhythmia in both equine and human athletes. Currently, this condition is diagnosed via electrocardiogram (ECG) monitoring which lacks sensitivity in about half of cases when it presents...
Complement C1q Binding Protein (C1QBP)
Complement C1q binding protein (C1QBP, p32) is primarily localized in mitochondrial matrix and associated with mitochondrial oxidative phosphorylative function. C1QBP deficiency presents as a mitochondrial disorder involving...
Epac-induced ryanodine receptor type 2 activation inhibits sodium currents in atrial and ventricular murine cardiomyocytes.
Haseeb Valli, Shiraz Ahmad, Sujan Sriharan, Lydia D Dean, Andrew A Grace, Kamalan Jeevaratnam, Hugh R Matthews, Christopher L-H Huang
May 23, 2018
Acute RyR2 activation by exchange protein directly activated by cAMP (Epac) reversibly perturbs myocyte Ca2+ homeostasis, slows myocardial action potential conduction, and exerts pro-arrhythmic effects. Loose patch-clamp...
8-(4-chlorophenylthio)-2′-O-methyladenosine-3′ 5′-cyclic monophosphate Ca2+ homeostasis Epac Na+ current arrhythmic substrate conduction velocity dantrolene ryanodine receptor Action Potentials Animals Calcium Cyclic AMP Dantrolene Gene Expression Regulation Guanine Nucleotide Exchange Factors Heart Mice Mice Inbred C57BL Microelectrodes Muscle Relaxants Central Myocytes Cardiac Patch-Clamp Techniques Ryanodine Receptor Calcium Release Channel Sodium Channels
Ryanodine receptor modulation by caffeine challenge modifies Na + current properties in intact murine skeletal muscle fibres
Abstract: We investigated effects of the ryanodine receptor (RyR) modulator caffeine on Na+ current (INa) activation and inactivation in intact loose-patch clamped murine skeletal muscle fibres subject to a double pulse...
Update on antiarrhythmic drug pharmacology.
Cardiac arrhythmias constitute a major public health problem. Pharmacological intervention remains mainstay to their clinical management. This, in turn, depends upon systematic drug classification schemes relating their...
Modernized Oxford Classification Vaughan-Williams antiarrhythmic drugs cardiac arrhythmias sicilian gambit Action Potentials Animals Anti-Arrhythmia Agents Arrhythmias Cardiac Heart Conduction System Heart Rate Humans Molecular Targeted Therapy Myocardial Contraction Treatment Outcome Ventricular Function Ventricular Remodeling
Second-Order <i>L</i> ∞ Variational Problems and the ∞-Polylaplacian
In this paper we initiate the study of second-order variational problems in L ∞, seeking to minimise the L ∞ norm of a function of the hessian.We also derive and study the respective PDE arising as the...
Ryanodine receptor modulation by caffeine challenge modifies Na+ current properties in intact murine skeletal muscle fibres.
Regioselective Transition-Metal-Catalyzed C–H Functionalization of Anilines
Anilines are a vital synthetic core of pharmaceuticals, agrochemicals, natural products and building blocks. Metal-catalyzed C–H functionalization has emerged as a powerful tool to derivatize biologically relevant molecules....
Can the SARS-CoV-2 Spike Protein Bind Integrins Independent of the RGD Sequence?
Christopher A Beaudoin, Samir W Hamaia, Christopher L-H Huang, Tom L Blundell, Antony P Jackson
Jan 28, 2022
Regioselective Transition-Metal-Catalyzed C–H Functionalization of Anilines
Anilines are a vital synthetic core of pharmaceuticals, agrochemicals, natural products and building blocks. Metal-catalyzed C–H functionalization has emerged as a powerful tool to derivatize biologically relevant molecules....
Regulatory actions of 3',5'-cyclic adenosine monophosphate on osteoclast function
Epac Rap1 cAMP Integrins osteoclast Animals Bone Density Conservation Agents Bone Resorption Calcitonin Calcium Signaling Cell Movement Cyclic AMP Cyclic AMP-Dependent Protein Kinases Diphosphonates Guanine Nucleotide Exchange Factors Humans Integrins Models Biological Osteoclasts Osteoporosis Second Messenger Systems Signal Transduction Translational Research Biomedical rap1 GTP-Binding Proteins
The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid
MacGuire R. Bryant, Andrew D. Burrows, Christopher M. Fitchett, Chris S. Hawes, Sally O. Hunter, Luke L. Keenan, David J. Kelly, Paul E. Kruger, Mary F. Mahon, Christopher Richardson
May 21, 2015
The synthesis, structural and thermal characterisation of a number of coordination complexes featuring the N,O-heteroditopic ligand 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoate, HL are reported. The reaction of H2L...
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