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Low anion gap

Xiaodong Xing, Jingjing Wang, Xiaoyu Kuang, Xinxin Xia, Cheng Lu, George Maroulis
The effect of Mg doping on the growth behavior and the electronic properties of aluminum clusters has been investigated theoretically using the CALYPSO (Crystal structure AnaLYsis by Particle Swarm Optimization) method in combination with density functional theory calculations. Compared to pure aluminum clusters, the structure of Mg-doped clusters shows the charming transformation with increasing atomic number. The photoelectron spectra (PES) of the global minima of anionic Aln and AlnMg (n = 3-20) clusters have been calculated based on the time-dependent density functional theory (TD-DFT) method...
September 21, 2016: Physical Chemistry Chemical Physics: PCCP
Tatiana B Emelina, Alexandra Ya Freidzon, Alexander A Bagaturyants, Vladimir E Karasev
The structure and ligand-localized excited states of [Eu(cfqH) (cfq)(H2O)4]Cl2 (cfqH is ciprofloxacin) are studied by XMCQDPT2/CASSCF with full geometry optimization. The complex includes one anionic and one zwitterionic ligand. Two low-lying triplet states, both localized on the anionic ligand, are found. One of them has sufficient energy to transfer to the (5)D1 sublevel of Eu(3+), because its T-S0 vertical transition energy is equal (or very close) to the (7)F0-(5)D1 Eu(3+) excitation energy. The other triplet state has a very small S0-T1 gap, which favors fast nonradiative relaxation...
September 29, 2016: Journal of Physical Chemistry. A
Hironobu Kunioku, Masanobu Higashi, Ryu Abe
Although bismuth chalcohalides, such as BiSI and BiSeI, have been recently attracting considerable attention as photovoltaic materials, the methods available to synthesize them are quite limited thus far. In this study, a novel, facile method to synthesize these chalcohalides, including BiSBr1-xIx solid solutions, at low temperatures was developed via the substitution of anions from O(2-) to S(2-) (or Se(2-)) using bismuth oxyhalide precursors. Complete phase transition was readily observed upon treatment of BiOI particles with H2S or H2Se at surprisingly low temperatures of less than 150 °C and short reaction times of less than 1 h, producing BiSI and BiSeI particles, respectively...
2016: Scientific Reports
Rui-Qi Png, Mervin C Y Ang, Meng-How Teo, Kim-Kian Choo, Cindy Guanyu Tang, Dagmawi Belaineh, Lay-Lay Chua, Peter K H Ho
The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π-π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine-fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals...
2016: Nature Communications
Stella Andrea Glasmacher, William Stones
BACKGROUND: Lactate concentration is a robust predictor of mortality but in many low resource settings facilities for its analysis are not available. Anion gap (AG), calculated from clinical chemistry results, is a marker of metabolic acidosis and may be more easily obtained in such settings. In this systematic review and meta-analysis we investigated whether the AG predicts mortality in adult patients admitted to critical care settings. METHODS: We searched Medline, Embase, Web of Science, Scopus, The Cochrane Library and regional electronic databases from inception until May 2016...
2016: BMC Anesthesiology
James A Saunders, Bruce E Pivetz, Nathan Voorhies, Richard T Wilkin
Sandstone-hosted roll-front uranium ore deposits originate when U(VI) dissolved in groundwater is reduced and precipitated as insoluble U(IV) minerals. Groundwater redox geochemistry, aqueous complexation, and solute migration are important in leaching uranium from source rocks and transporting it in low concentrations to a chemical redox interface where it is deposited in an ore zone typically containing the uranium minerals uraninite, pitchblende, and/or coffinite; various iron sulfides; native selenium; clays; and calcite...
December 1, 2016: Journal of Environmental Management
Alexander Kuhn, Leslie M Schoop, Roland Eger, Igor Moudrakovski, Stefan Schwarzmüller, Viola Duppel, Reinhard K Kremer, Oliver Oeckler, Bettina V Lotsch
Five new compounds in the Cu/P/Se phase diagram have been synthesized, and their crystal structures have been determined. The crystal structures of these compounds comprise four previously unreported zero-, one-, and two-dimensional selenidophosphate anions containing low-valent phosphorus. In addition to two new modifications of Cu4P2Se6 featuring the well-known hexaselenidohypodiphosphate(IV) ion, there are three copper selenidophosphates with low-valent P: Cu4P3Se4 contains two different new anions, (i) a monomeric (zero-dimensional) selenidophosphate anion [P2Se4](4-) and (ii) a one-dimensional selenidophosphate anion [Formula: see text], which is related to the well-known gray-Se-like [Formula: see text] Zintl anion...
August 15, 2016: Inorganic Chemistry
Luca Zazzeron, Davide Ottolina, Eleonora Scotti, Michele Ferrari, Paola Bruzzone, Silvio Sibilla, Cristina Marenghi, Luciano Gattinoni, Pietro Caironi
BACKGROUND: Although the loop-diuretic furosemide is widely employed in critically ill patients with known long-term effects on plasma electrolytes, accurate data describing its acute effects on renal electrolyte handling and the generation of plasma electrolyte alterations are lacking. We hypothesized that the long-term effects of furosemide on plasma electrolytes and acid-base depend on its immediate effects on electrolyte excretion rate and patient clinical baseline characteristics...
December 2016: Annals of Intensive Care
Stéphanie Malaquin, Sam Bayat, Osama Abou Arab, Gilles Mourier, Emmanuel Lorne, Saïd Kamel, Hervé Dupont, Frédéric Ducancel, Yazine Mahjoub
Sarafotoxins (SRTX) are endothelin-like peptides extracted from the venom of snakes belonging to the Atractaspididae family. A recent in vivo study on anesthetized and ventilated animals showed that sarafotoxin-b (SRTX-b), extracted from the venom of Atractaspis engaddensis, decreases cardiac output by inducing left ventricular dysfunction while sarafotoxin-m (SRTX-m), extracted from the venom of Atractaspis microlepidota microlepidota, induces right ventricular dysfunction with increased airway pressure. The aim of the present experimental study was to compare the respiratory effects of SRTX-m and SRTX-b...
2016: Toxins
Jin-Chang Guo, Wen-Juan Tian, Ying-Jin Wang, Xue-Feng Zhao, Yan-Bo Wu, Hua-Jin Zhai, Si-Dian Li
Superalkali cations, known to possess low vertical electron affinities (VEAs), high vertical detachment energies, and large highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy gaps, are intriguing chemical species. Thermodynamically, such species need to be the global minima in order to serve as the promising targets for experimental realization. In this work, we propose the strategies of polyhalogenation and polyalkalination for designing the superalkali cations. By applying these strategies, the local-minimum planar pentacoordinate carbon (ppC) cluster CBe5 can be modified to form a series of star-like superalkali ppC or quasi-ppC CBe5X5 (+) (X = F, Cl, Br, Li, Na, K) cations containing a CBe5 moiety...
June 28, 2016: Journal of Chemical Physics
Glenn T Nagami
Hyperchloremia is a common electrolyte disorder that is associated with a diverse group of clinical conditions. The kidney plays an important role in the regulation of chloride concentration through a variety of transporters that are present along the nephron. Nevertheless, hyperchloremia can occur when water losses exceed sodium and chloride losses, when the capacity to handle excessive chloride is overwhelmed, or when the serum bicarbonate is low with a concomitant rise in chloride as occurs with a normal anion gap metabolic acidosis or respiratory alkalosis...
July 2016: Nefrología: Publicación Oficial de la Sociedad Española Nefrologia
Shi-Min Yuan
Postperfusion lung syndrome is a rare but sometimes lethal complication secondary to cardiopulmonary bypass. It often leads to multiorgan failure and mixed acid-base disturbances, thus making a refractory condition. A 69-year-old female, undergoing a successful cardiac lipoma resection under cardiopulmonary bypass, unfortunately developed postperfusion lung syndrome with associated multiorgan failure and triple acid-base disturbances (TABDs). Her condition deteriorated rapidly on postoperative day three and became moribund...
May 2016: Journal of Thoracic Disease
Marinela M Dîrtu, Anil D Naik, Aurelian Rotaru, Leonard Spinu, Dirk Poelman, Yann Garcia
A new family of one-dimensional Fe(II) 1,2,4-triazole spin transition coordination polymers for which a modification of anion and crystallization solvent can tune the switching temperature over a wide range, including the room temperature region, is reported. This series of materials was prepared as powders after reaction of ethyl-4H-1,2,4-triazol-4-yl-acetate (αEtGlytrz) with an iron salt from a MeOH/H2O medium affording: [Fe(αEtGlytrz)3](ClO4)2 (1); [Fe(αEtGlytrz)3](ClO4)2·CH3OH (2); [Fe(αEtGlytrz)3](NO3)2·H2O (3); [Fe(αEtGlytrz)3](NO3)2 (4); [Fe(αEtGlytrz)3](BF4)2·0...
May 2, 2016: Inorganic Chemistry
Alfred N Murunga, David O Miruka, Christine Driver, Fezile S Nkomo, Snazo Z Z Cobongela, Peter M O Owira
BACKGROUND: Hypoglycemic effects of grapefruit juice are well known but the effects of naringin, its main flavonoid on glucose intolerance and metabolic complications in type 1 diabetes are not known. OBJECTIVES: To investigate the effects of naringin on glucose intolerance, oxidative stress and ketonemia in type 1 diabetic rats. METHODS: Sprague-Dawley rats divided into 5 groups (n = 7) were orally treated daily with 3.0 ml/kg body weight (BW)/day of distilled water (group 1) or 50 mg/kg BW of naringin (groups 2 and 4, respectively)...
2016: PloS One
Roman V Tsyshevsky, Anton Zverev, Anatoly Mitrofanov, Sergey N Rashkeev, Maija M Kuklja
Optical absorption measurements are combined with electronic structure calculations to explore photochemistry of an α-Al₂O₃-PETN interface formed by a nitroester (pentaerythritol tetranitrate, PETN, C₅H₈N₄O12) and a wide band gap aluminum oxide (α-Al₂O₃) substrate. The first principles modeling is used to deconstruct and interpret the α-Al₂O₃-PETN absorption spectrum that has distinct peaks attributed to surface F⁰-centers and surface-PETN transitions. We predict the low energy α-Al₂O₃ F⁰-center-PETN transition, producing the excited triplet state, and α-Al₂O₃ F⁰-center-PETN charge transfer, generating the PETN anion radical...
2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Salik Nazir, Stephen Melnick, Shabana Ansari, Haitham T Kanneh
We report a case of a 37-year-old woman with non-insulin-dependent diabetes on sitagliptin, an alcohol abuser who was brought unresponsive to the emergency department of our hospital. On arrival, the patient was intubated and mechanically ventilated due to a low Glasgow Coma score of 3/15. Initial laboratory testing identified profound high anion gap metabolic acidosis. Owing to the dubious circumstances and the depth of acidosis, methanol and ethylene glycol intoxication was suspected. Further evaluation revealed a significantly increased serum osmolal gap...
2016: BMJ Case Reports
Steve Johnston, Claude Monney, Valentina Bisogni, Ke-Jin Zhou, Roberto Kraus, Günter Behr, Vladimir N Strocov, Jiři Málek, Stefan-Ludwig Drechsler, Jochen Geck, Thorsten Schmitt, Jeroen van den Brink
Strongly correlated insulators are broadly divided into two classes: Mott-Hubbard insulators, where the insulating gap is driven by the Coulomb repulsion U on the transition-metal cation, and charge-transfer insulators, where the gap is driven by the charge-transfer energy Δ between the cation and the ligand anions. The relative magnitudes of U and Δ determine which class a material belongs to, and subsequently the nature of its low-energy excitations. These energy scales are typically understood through the local chemistry of the active ions...
2016: Nature Communications
Christopher L Hunter, Salvatore Silvestri, George Ralls, Amanda Stone, Ayanna Walker, Linda Papa
OBJECTIVE: To determine the utility of a prehospital sepsis screening protocol utilizing systemic inflammatory response syndrome (SIRS) criteria and end-tidal carbon dioxide (ETCO2). METHODS: We conducted a prospective cohort study among sepsis alerts activated by emergency medical services during a 12 month period after the initiation of a new sepsis screening protocol utilizing ≥2 SIRS criteria and ETCO2 levels of ≤25 mmHg in patients with suspected infection...
May 2016: American Journal of Emergency Medicine
Nasrin Sarmadian, Rolando Saniz, Bart Partoens, Dirk Lamoen
Fulfillment of the promise of transparent electronics has been hindered until now largely by the lack of semiconductors that can be doped p-type in a stable way, and that at the same time present high hole mobility and are highly transparent in the visible spectrum. Here, a high-throughput study based on first-principles methods reveals four oxides, namely X2SeO2, with X = La, Pr, Nd, and Gd, which are unique in that they exhibit excellent characteristics for transparent electronic device applications - i...
2016: Scientific Reports
A Bhardwaj, N S Chauhan, S Goel, Vijeta Singh, J J Pulikkotil, T D Senguttuvan, D K Misra
Zintl compounds are potential candidates for efficient thermoelectric materials, because typically they are small band gap semiconductors. In addition, such compounds allow fine tuning of the carrier concentration by chemical doping for the optimization of thermoelectric performance. Herein, such tunability is demonstrated in Mg3Sb2-based Zintl compounds via Zn(2+) doping at the Mg(2+) site of the anionic framework (Mg2Sb2)(2-), in the series Mg3-xZnxSb2 (0 ≤ x ≤ 0.1). The materials have been successfully synthesized using the spark plasma sintering (SPS) technique...
February 17, 2016: Physical Chemistry Chemical Physics: PCCP
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