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https://www.readbyqxmd.com/read/27921361/lithium-ion-transfer-kinetics-of-single-limn2-o4-particles
#1
Giorgia Zampardi, Christopher Batchelor-McAuley, Enno Kätelhön, Richard G Compton
A stochastic investigation of lithium deinsertion from individual 200-nm-sized particles of LiMn2 O4 reveals the rate-determining step at high overpotentials to be the transfer of the cation across the particle-electrolyte interface. Measurement of the (electro)chemical behavior of the spinel is undertaken without forming a conductive composite electrode. The kinetics of the interfacial ion transfer defines a theoretical upper limit for the discharge rates of batteries using LiMn2 O4 in an aqueous environment...
December 6, 2016: Angewandte Chemie
https://www.readbyqxmd.com/read/27921354/low-frequency-ch-stretch-vibrations-of-free-alkoxide-ions
#2
Jos Oomens, Giel Berden, Thomas Hellman Morton
CH stretches in hydrocarbon cations often shift to lower frequencies relative to neutral molecules, because they do not have sufficient electrons to give every bond an electron pair. A parallel effect in negatively charged species has not been previously observed. Here we show that CH bond weakening occurs in alkoxide anions as a consequence of hyperconjugation. The reasoning differs somewhat from the case of positively charged ions, but the net effect is the same: to lower CH stretching frequencies by hundreds of wavenumbers...
December 6, 2016: Angewandte Chemie
https://www.readbyqxmd.com/read/27921333/direct-access-to-chiral-%C3%AE-fluoroamines-with-quaternary-stereogenic-center-via-cooperative-cation-binding-catalysis
#3
Venkataramasubramanian Vaithiyanathan, Mun Jong Kim, Yidong Liu, Hailong Yan, Choong Eui Song
Reported herein is a direct route for chiral β-fluoroamines possessing tetrasubstituted C-F centers through the organocatalytic Mannich reaction of α-fluoro cyclic ketones and α-amidosulfones using a chiral oligoEG as a cation binding catalyst with KF as a base. In most substrates, nearly perfect enantioselectivites were achieved even at very high temperatures (>80 ºC). The salient features of this process include (a) a transition metal free and operationally simple procedure, (b) direct use of α-amidosulfones as bench-stable precursors of sensitive imines, (c) direct enolization of racemic α-fluoro cyclic ketones and (d) excellent stereoselectivity up to 99% ee and >20:1 diastereoselectivity (anti:syn)...
December 6, 2016: Chemistry: a European Journal
https://www.readbyqxmd.com/read/27921281/colorful-hydrophobic-poly-vinyl-butyral-cationic-dye-fibrous-membranes-via-a-colored-solution-electrospinning-process
#4
Xu Yan, Ming-Hao You, Tao Lou, Miao Yu, Jun-Cheng Zhang, Mao-Gang Gong, Fu-Yan Lv, Yuan-Yuan Huang, Yun-Ze Long
Colorful nanofibrous membranes have attracted much attention for their visual varieties and various functionalities. In this article, a colored solution electrospinning process was used to fabricate colorful hydrophobic poly(vinyl butyral) (PVB)/cationic dye nanofibrous membranes (NFMs) successfully. The color and morphology of these as-spun nanofibrous membranes have been analyzed by colorimetry, spectroscopy, and scanning electron microscopy (SEM). It is shown that the as-spun colorful PVB-based membranes exhibit excellent level-dyeing property and color stability...
December 2016: Nanoscale Research Letters
https://www.readbyqxmd.com/read/27921040/new-insights-into-the-molecular-mechanisms-targeting-tubular-channels-transporters-in-pkd-development
#5
REVIEW
Ming Wu, Shengqiang Yu
BACKGROUND: Autosomal dominant polycystic kidney disease (PKD) or autosomal recessive PKD is caused by a mutation in the PKD1, PKD2 or PKHD1 gene, which encodes polycystin-1, polycystin-2 or fibrocystin, respectively. Embryonic and postnatal mutation studies show that transport or channel function is dysregulated before the initiation of cystogenesis, suggesting that the abnormality of transport or channel function plays a critical role in the pathology of PKD. SUMMARY: Polycystin-2 by itself is a calcium-permeable cation channel, and its channel function can be regulated by polycystin-1 or fibrocystin...
October 2016: Kidney Diseases
https://www.readbyqxmd.com/read/27920934/crystal-structure-of-3-2-hy-droxy-eth-yl-2-methyl-sulfanyl-6-nitro-3h-benzimidazol-1-ium-chloride-monohydrate
#6
Akoun Abou, Siomenan Coulibali, Rita Kakou-Yao, T Jérémie Zoueu, A Jules Tenon
In the cation of the title hydrated molecular salt, C10H12N3O3S(+)·Cl(-)·H2O, the benzimidazolium ring system is almost planar (r.m.s. deviation = 0.006 Å) and the nitro group is inclined at an angle of 4.86 (9)° to this plane. In the crystal, C-H⋯O hydrogen bonds form centrosymmetric R2(2)(20) dimers and these are further aggregated through N-H⋯O and O-H⋯Cl hydrogen bonds involving the water mol-ecules and chloride anions. Aromatic π-π stacking inter-actions are also found between two parallel benzene rings or the benzene and imidazolium rings, with centroid-centroid distances of 3...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920932/solvent-inclusion-in-the-crystal-structure-of-bis-adamantan-1-yl-methanaminium-chloride-1-4-dioxane-hemisolvate-monohydrate-explained-using-the-computed-crystal-energy-landscape
#7
Sharmarke Mohamed
Repeated attempts to crystallize 1-adamantane-methyl-amine hydro-chloride as an anhydrate failed but the salt was successfully crystallized as a solvate (2C11H20N(+)·2Cl(-)·0.5C4H8O2·H2O), with water and 1,4-dioxane playing a structural role in the crystal and engaging in hydrogen-bonding inter-actions with the cation and anion. Computational crystal-structure prediction was used to rationalize the solvent-inclusion behaviour of this salt by computing the solvent-accessible voids in the predicted low-energy structures for the anhydrate: the global lattice-energy minimum structure, which has the same packing of the ions as the solvate, has solvent-accessible voids that account for 3...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920927/synthesis-and-crystal-structure-of-e-2-e-4-hy-droxynaphthalen-1-yl-methyl-idene-hydrazin-1-yl-methyl-sulfan-yl-methyl-idene-azanium-hydrogen-sulfate-monohydrate
#8
Oussama Nehar, Samira Louhibi, Leila Boukli-Hacene, Thierry Roisnel
In the title hydrated mol-ecular salt, C13H14N3S(+)·HSO4(-)·H2O, the protonation of the azomethine N atom in sulfuric acid medium involves the formation of the bis-ulfate anion. The mol-ecular structure of the cation is obtained from the thiol tautomer of thio-semicarbazone wherein the naphthalene moiety and the conjugation of the bonds contribute to the planarity of the mol-ecular skeleton. In the crystal, the cation, anion and water mol-ecule of crystallization are linked by a series of O-H⋯O and N-H⋯O hydrogen bonds, forming a three-dimensional network...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920925/crystal-structure-of-bamnb2o5-containing-structurally-isolated-manganese-oxide-sheets
#9
Elizabeth M Maschmeyer, Liurukara D Sanjeewa, Kulugammana G S Ranmohotti
In an attempt to search for mixed alkaline-earth and transition metal pyroborates, the title compound, barium manganese(II) pyroborate, has been synthesized by employing a flux method. The structure of BaMnB2O5 is composed of MnO5 square pyramids that form Mn2O8 dimers by edge-sharing and of pyroborate units ([B2O5](4-)) that are composed of two corner-sharing trigonal-planar BO3 units. These building blocks share corners to form ∞(2)[MnB2O5](2-) layers extending parallel to (100). The Ba(2+) cations reside in the gap between two manganese pyroborate slabs with a coordination number of nine...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920920/crystal-structure-of-bis-trans-di-chlorido-bis-propane-1-3-di-amine-%C3%AE%C2%BA-2-n-n-chromium-iii-dichromate-from-synchrotron-data
#10
Dohyun Moon, Keon Sang Ryoo, Jong-Ha Choi
The structure of the title compound, [CrCl2(tn)2]2[Cr2O7] (tn = propane-1,3-di-amine; C3H10N2), has been determined from synchrotron data. The asymmetric unit contains one Cr(III) complex cation and half a [Cr2O7](2-) anion. In the complex cation, the Cr(III) ion is coordinated by the four N atoms of two propane-1,3-di-amine (tn) ligands in the equatorial plane and by two Cl atoms in a trans configuration, displaying a distorted octa-hedral coordination sphere. The two six-membered rings in the complex cation have an anti chair-chair conformation with respect to each other...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920919/crystal-structure-of-di-methyl-formamidium-bis-tri-fluoro-methane-sulfon-yl-amide-an-ionic-liquid
#11
Allan Jay P Cardenas, Molly O'Hagan
At 100 K, the title mol-ecular salt, C3H8NO(+)·C2F6NO4S2(-), has ortho-rhom-bic (P212121) symmetry; the amino H atom of bis-(tri-fluoro-methane-sulfon-yl)amine (HNTf2) was transferred to the basic O atom of di-methyl-formamide (DMF) when the ionic liquid components were mixed. The structure displays an O-H⋯N hydrogen bond, which links the cation to the anion, which is reinforced by a non-conventional C-H⋯O inter-action, generating an R2(2)(7) loop. A further very weak C-H⋯O inter-action generates an [001] chain...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920913/crystal-structure-of-aqua-tris-isonicotinamide-%C3%AE%C2%BAn-bis-thio-cyanato-%C3%AE%C2%BAn-cobalt-ii-2-5-hydrate
#12
Tristan Neumann, Inke Jess, Christian Näther
The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)3(H2O)]·2.5H2O, comprises one Co(II) cation, three isonicotinamide ligands, two thio-cyanate anions, one aqua ligand and two water solvent mol-ecules in general positions, as well as one water solvent mol-ecule that is located on a twofold rotation axis. The Co(II) cations are octa-hedrally coordinated by two terminally N-bonded thio-cyanate anions, one water mol-ecule and three isonicotinamide ligands, each coordinating via the pyridine N atom. The discrete complexes are linked by inter-molecular O-H⋯O, N-H⋯O and N-H⋯S hydrogen bonding into a three-dimensional network that contains cavities in which the solvent water mol-ecules are located...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920912/synthesis-and-crystal-structure-of-calcium-dizinc-iron-iii-tris-orthophosphate-cazn2fe-po4-3
#13
Jamal Khmiyas, Abderrazzak Assani, Mohamed Saadi, Lahcen El Ammari
Single crystals of the title compound, CaZn2Fe(PO4)3, were synthesized by conventional solid-state reaction. In the asymmetric unit, all atoms are located in fully occupied general positions of the P21/c space group. The zinc atoms are located on two crystallographically independent sites with tetra-hedral and distorted triangular-based bipyramidal geometries. Two edge-sharing triangular bipyramidal ZnO5 units form a dimer, which is linked to slightly deformed FeO6 octa-hedra via a common edge. The resulting chains are inter-connected through PO4 tetra-hedra to form a layer perpendicular to the b axis...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920908/crystal-structure-of-tris-4-4-bi-pyridine-diium-bis-1-1-3-3-tetra-cyano-2-eth-oxy-propenide-trihydrate
#14
Fatima Setifi, Arto Valkonen, Zouaoui Setifi, Sami Nummelin, Rachid Touzani, Christopher Glidewell
The title hydrated salt, C30H26N6(2+)·2C9H5N4O(-)·3H2O, was obtained as an unexpected product from the hydro-thermal reaction between potassium 1,1,3,3-tetra-cyano-2-eth-oxy-propenide, 4,4'-bi-pyridine and iron(II) sulfate hepta-hydrate. The cation lies across a twofold rotation axis in the space group I2/a with the other components all in general positions. In the cation, the H atom linking the pyridine units is disordered over two adjacent sites having occupancies of 0.66 (4) and 0.36 (4), i.e. as N-H⋯N and N⋯H-N...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920907/crystal-structure-of-hexa-aqua-nickel-ii-bis-5-bromo-7-2-hy-droxy-eth-yl-amino-1-methyl-6-oxido-quinolin-1-ium-3-sulfonate-monohydrate
#15
Hai Le Thi Hong, Vinh Nguyen Thi Ngoc, Anh Do Thi Van, Luc Van Meervelt
The asymmetric unit of the title compound, [Ni(H2O)6](C12H12BrN2O5S)2·H2O, contains a half hexa-aqua-nickel(II) complex cation with the Ni(II) ion lying on an inversion center, one 5-bromo-7-[(2-hy-droxy-eth-yl)amino]-1-methyl-6-oxido-quinolin-1-ium-3-sulfonate (QAO) anion and a half lattice water mol-ecule on a twofold rotation axis. In the crystal, QAO anions are stacked in a column along the c axis by π-π stacking inter-actions [centroid-centroid distances 3.5922 (10)-3.7223 (11) Å]. The columns are inter-linked by hexa-aqua-nickel(II) cations through O-H⋯O and N-H⋯O hydrogen bonds...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920753/neuroproteomics-and-systems-biology-approach-to-identify-temporal-biomarker-changes-post-experimental-traumatic-brain-injury-in-rats
#16
Firas H Kobeissy, Joy D Guingab-Cagmat, Zhiqun Zhang, Ahmed Moghieb, Olena Y Glushakova, Stefania Mondello, Angela M Boutté, John Anagli, Richard Rubenstein, Hisham Bahmad, Amy K Wagner, Ronald L Hayes, Kevin K W Wang
Traumatic brain injury (TBI) represents a critical health problem of which diagnosis, management, and treatment remain challenging. TBI is a contributing factor in approximately one-third of all injury-related deaths in the United States. The Centers for Disease Control and Prevention estimate that 1.7 million people suffer a TBI in the United States annually. Efforts continue to focus on elucidating the complex molecular mechanisms underlying TBI pathophysiology and defining sensitive and specific biomarkers that can aid in improving patient management and care...
2016: Frontiers in Neurology
https://www.readbyqxmd.com/read/27920533/effect-of-inserted-spacer-in-hepatic-cell-penetrating-multifunctional-peptide-component-on-the-dna-intracellular-delivery-of-quaternary-complexes-based-on-modular-design
#17
Luchen Zhang, Zhenbo Li, Fangli Sun, Yuhong Xu, Zixiu Du
A safe and efficient quaternary gene delivery system (named Q-complexes) was constructed based on self-assembly of molecules through noncovalent bonds. This system was formulated through the cooperation and competing interactions of cationic liposomes, multifunctional peptides, and DNA, followed by coating hyaluronic acid on the surface of the ternary complexes. The multifunctional peptide was composed of two functional domains: penetrating hepatic tumor-targeted cell moiety (KRPTMRFRYTWNPMK) and a wrapping gene sequence (polyarginine 16)...
2016: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/27920523/pegylated-and-nanoparticle-conjugated-sulfonium-salt-photo-triggers-necrotic-cell-death
#18
Alaa A Fadhel, Xiling Yue, Ebrahim H Ghazvini Zadeh, Mykhailo V Bondar, Kevin D Belfield
Photodynamic therapy (PDT) processes involving the production of singlet oxygen face the issue of oxygen concentration dependency. Despite high oxygen delivery, a variety of properties related to metabolism and vascular morphology in cancer cells result in hypoxic environments, resulting in limited effectiveness of such therapies. An alternative oxygen-independent agent whose cell cytotoxicity can be remotely controlled by light may allow access to treatment of hypoxic tumors. Toward that end, we developed and tested both polyethylene glycol (PEG)-functionalized and hydrophilic silica nanoparticle (SiNP)-enriched photoacid generator (PAG) as a nontraditional PDT agent to effectively induce necrotic cell death in HCT-116 cells...
2016: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/27920255/mlkl-channel-in-necroptosis-is-octamer-formed-by-tetramers-in-a-dyadic-process
#19
Deli Huang, Xinru Zheng, Zi-An Wang, Xin Chen, Wan-Ting He, Yingying Zhang, Jin-Gen Xu, Hang Zhao, Wenke Shi, Xin Wang, Yongqun Zhu, Jiahuai Han
Oligomerization of the mixed lineage kinase domain-like protein (MLKL) is essential for its cation channel function in necroptosis. Here we show that the MLKL channel is an octamer comprising of two previously identified tetramers most likely in their side-by-side position. Inter-molecule disulfide bonds are present in the tetramer but are not required for the octamer assembly and necroptosis. MLKL forms oligomers in the necrosome, and is then released from the necrosome before or during its membrane translocation...
December 5, 2016: Molecular and Cellular Biology
https://www.readbyqxmd.com/read/27920205/molecular-determinants-of-the-sensitivity-to-gq-11-phospholipase-c-dependent-gating-gd3-potentiation-and-ca2-permeability-in-the-transient-receptor-potential-canonical-type-5-trpc5-channel
#20
Xingjuan Chen, Wennan Li, Ashley M Riley, Mario Soliman, Saikat Chakraborty, Christopher W Stamatkin, Alexander G Obukhov
Transient Receptor Potential Canonical type 5 (TRPC5) is a Ca(2+) permeable cation channel that is highly expressed in the brain and is implicated in motor coordination, innate fear behavior, and seizure-genesis. The channel is activated by a signal downstream of the G-protein-coupled receptor (GPCR)-Gq/11-phospholipase C (PLC) pathway. In this study, we aimed to identify the molecular mechanisms involved in regulating TRPC5 activity. We report that R593, a residue located in the E4 loop near the TRPC5's extracellular Gd(3+)-binding site, is critical for conferring the sensitivity to GPCR-Gq/11-PLC-dependent gating on TRPC5...
December 5, 2016: Journal of Biological Chemistry
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