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https://www.readbyqxmd.com/read/28926691/cobalt-porphyrin-thiazyl-radical-coordination-polymers-towards-metal-organic-electronics
#1
Delia A Haynes, Laura J van Laeren, Orde Q Munro
Herein we delineate an unusual one-dimensional coordination polymer (CP), 3, prepared from S = ½ Co(TPP), 1, (TPP = 5,10,15,20-tetraphenylporphyrin dianion) and S = ½ 4-(4'-pyridyl)-1,2,3,5-dithiadiazolyl (py-DTDA) radical, 2. The atypically long S-S distance for CP 3 (2.12 Å) reflects fractional electron transfer from the formally Co(II) ion into the antibonding π-SOMO of the metal-bound py-DTDA bridging ligand. The bonding in solid CP 3 involves non-integer redox states in a resonance hybrid repeat unit best formulated as [Co(TPP)](0...
September 19, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28924478/a-rare-cause-of-metabolic-acidosis-ketoacidosis-in-a-non-diabetic-lactating-woman
#2
Gordon Sloan, Amjad Ali, Jonathan Webster
Ketoacidosis occurring during lactation has been described infrequently. The condition is incompletely understood, but it appears to be associated with a combination of increased metabolic demands during lactation, reduction in carbohydrate intake and acute illness. We present a case of a 27-year-old woman, 8 weeks post-partum, who was exclusively breastfeeding her child whilst following a low carbohydrate diet. She developed gastroenteritis and was unable to tolerate an oral diet for several days. She presented with severe metabolic acidosis on admission with a blood 3-hydroxybutyrate of 5...
2017: Endocrinology, Diabetes & Metabolism Case Reports
https://www.readbyqxmd.com/read/28914421/acid-base-safety-during-the-course-of-a-very-low-calorie-ketogenic-diet
#3
Diego Gomez-Arbelaez, Ana B Crujeiras, Ana I Castro, Albert Goday, Antonio Mas-Lorenzo, Ana Bellon, Cristina Tejera, Diego Bellido, Cristobal Galban, Ignacio Sajoux, Patricio Lopez-Jaramillo, Felipe F Casanueva
BACKGROUND AND AIMS: Very low-calorie ketogenic (VLCK) diets have been consistently shown to be an effective obesity treatment, but the current evidence for its acid-base safety is limited. The aim of the current work was to evaluate the acid-base status of obese patients during the course of a VLCK diet. METHOD: Twenty obese participants undertook a VLCK diet for 4 months. Anthropometric and biochemical parameters, and venous blood gases were obtained on four subsequent visits: visit C-1 (baseline); visit C-2, (1-2 months); maximum ketosis; visit C-3 (2-3 months), ketosis declining; and visit C-4 at 4 months, no ketosis...
September 15, 2017: Endocrine
https://www.readbyqxmd.com/read/28883241/ketoacidosis-due-to-a-low-carbohydrate-diet-in-an-elderly-woman-with-dementia-and-abnormal-eating-behavior
#4
Hitoshi Iwata, Seiichiro Tsuzuki, Mitsunaga Iwata, Teruhiko Terasawa
Strict restriction of carbohydrates can induce symptomatic ketoacidosis. We herein report a 76-year-old demented woman who developed ketoacidosis after 1 month of abnormal eating behavior involving selectively eating hamburger steak (estimated carbohydrate =12.7 g/day). Laboratory tests showed high-anion-gap metabolic acidosis with elevated blood ketone levels. She was successfully treated with intravenous fluids followed by oral intake of a regular diet. She remained relapse-free after correcting her eating habits...
September 6, 2017: Internal Medicine
https://www.readbyqxmd.com/read/28865122/investigation-of-challenging-spin-systems-using-monte-carlo-configuration-interaction-and-the-density-matrix-renormalization-group
#5
Jeremy P Coe, Nuno M S Almeida, Martin J Paterson
We investigate if a range of challenging spin systems can be described sufficiently well using Monte Carlo configuration interaction (MCCI) and the density matrix renormalization group (DMRG) in a way that heads toward a more "black box" approach. Experimental results and other computational methods are used for comparison. The gap between the lowest doublet and quartet state of methylidyne (CH) is first considered. We then look at a range of first-row transition metal monocarbonyls: MCO when M is titanium, vanadium, chromium, or manganese...
September 2, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28840651/two-series-of-homodinuclear-lanthanide-complexes-greatly-enhancing-the-energy-barriers-through-tuning-the-terminal-solvent-ligands-in-dy2-single-molecule-magnets
#6
Yahong Li, Yaru Qin, Haifeng Zhang, Hao Sun, Yangdan Pan, Yu Ge, Yiquan Zhang
The utilization of 2-ethoxy-6-(((2-hydroxy-3-methoxy benzyl)imino)methyl)phenol (H2L) as a chelating ligand, in combination with the employment of alcohols (EtOH and MeOH) as auxiliary ligands, in the 4f-metal chemistry afforded two series of dinuclear lanthanide complexes of compositions [Ln2L2(NO3)2 (EtOH)2] (Ln = Sm (1), Eu (2), Gd (3), Tb (4), Dy (5), Ho (6), Er (7)) and [Ln2L2(NO3)2(MeOH)2] (Ln = Sm (8), Eu (9), Gd (10), Tb (11), Dy (12), Ho (13), Er (14)). Complexes 1-7 are isomorphous. The two LnIII ions in 1-7 are doubly bridged by two deprotonated aminophenoxide oxygen atoms of two μ2: η0:η1:η2:η1:η1:η0 L2- ligands...
August 24, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/28782093/metabolic-acidosis-caused-by-concomitant-use-of-paracetamol-acetaminophen-and-flucloxacillin-a-case-report-and-a-retrospective-study
#7
J K Berbee, L A Lammers, C T P Krediet, J C Fischer, E M Kemper
PURPOSE: A patient was identified with severe metabolic acidosis, a high anion gap and 5-oxoproline accumulation, probably caused by the simultaneous use of paracetamol (acetaminophen) and flucloxacillin. We wanted to investigate the necessity to control the interaction between both drugs with an automatic alert system. METHODS: To investigate the relevance of the interaction of paracetamol and flucloxacillin, a retrospective study was conducted. Data on paracetamol and flucloxacillin prescriptions and laboratory data (pH, Na(+), HCO3(-), Cl(-), albumin and 5-oxoproline levels) were combined to assess the prevalence of acidosis, calculate the anion gap and analyse 5-oxoproline levels in clinically admitted patients using both drugs simultaneously...
August 7, 2017: European Journal of Clinical Pharmacology
https://www.readbyqxmd.com/read/28768408/what-controls-photocatalytic-water-oxidation-on-rutile-tio2-110-under-ultra-high-vacuum-conditions
#8
Annapaola Migani, Lluís Blancafort
The photocatalytic O-H dissociation of water absorbed on a rutile TiO2(110) surface in ultrahigh vacuum (UHV) is studied with spin-polarized density functional theory and a hybrid exchange-correlation functional (HSE06), treating the excited-state species as excitons with triplet multiplicity. This system is a model for the photocatalytic oxidation of water by TiO2 in an aqueous medium, which is relevant for the oxygen evolution reaction and photodegradation of organic pollutants. We provide a comprehensive mechanistic picture where the most representative paths correspond to excitonic configurations with the hole located on three- and two-coordinate surface oxygen atoms (O3s and O2s)...
August 15, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28736054/low-sensitivity-of-anion-gap-to-detect-clinically-significant-lactic-acidosis-in-the-emergency-department
#9
Q Xu, S HowlettClyne, A Fuezery, G S Cembrowski
INTRODUCTION: Lactic acidosis represents the pathologic accumulation of lactate and hydrogen ions. It is important to efficiently diagnose lactic acidosis as delayed treatment will lead to poor patient outcomes. As plasma lactate levels may not be rapidly available, some physicians may use elevated anion gaps to test for the need to measure lactate. All Edmonton metropolitan hospitals have Radiometer blood gas/electrolyte instruments in the ED or close by. As lactate is measured for each set of electrolytes, we were able to determine the effectiveness of a screening anion gap for lactic acidosis...
July 20, 2017: Clinical Biochemistry
https://www.readbyqxmd.com/read/28714123/defect-engineering-of-chalcogen-tailored-oxygen-electrocatalysts-for-rechargeable-quasi-solid-state-zinc-air-batteries
#10
Jing Fu, Fathy M Hassan, Cheng Zhong, Jun Lu, Han Liu, Aiping Yu, Zhongwei Chen
A critical bottleneck limiting the performance of rechargeable zinc-air batteries lies in the inefficient bifunctional electrocatalysts for the oxygen reduction and evolution reactions at the air electrodes. Hybridizing transition-metal oxides with functional graphene materials has shown great advantages due to their catalytic synergism. However, both the mediocre catalytic activity of metal oxides and the restricted 2D mass/charge transfer of graphene render these hybrid catalysts inefficient. Here, an effective strategy combining anion substitution, defect engineering, and the dopant effect to address the above two critical issues is shown...
July 17, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28702644/photoluminescent-dielectric-duple-switch-in-a-perovskite-type-high-temperature-phase-transition-compound-ch3-3pch2och3-pbbr3
#11
Fu-Juan Geng, De-Hong Wu, Lin Zhou, Ping-Ping Shi, Peng-Fei Li, Ji-Xing Gao, Xuan Zheng, Da-Wei Fu, Qiong Ye
A bistable optical-electrical duple switch belongs to a class of highly satisfying intelligent materials that can transform optical and electrical responses simultaneously in one device. A perovskite-type high-temperature phase transition compound with one-dimensional chain-like crystal structure, ([(CH3)3PCH2OCH3][PbBr3], 1), displays remarkable bistable photoluminescent-dielectric duple switching behaviors. The noteworthy order-disorder transition of the phosphonium cation and the motions of anions contribute to the phase transition, leading to the space group P21/c at a low temperature phase to C2/c at a high temperature phase...
July 25, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28599903/metabolic-acidosis-or-respiratory-alkalosis-evaluation-of-a-low-plasma-bicarbonate-using-the-urine-anion-gap
#12
Daniel Batlle, Jamie Chin-Theodorou, Bryan M Tucker
Hypobicarbonatemia, or a reduced bicarbonate concentration in plasma, is a finding seen in 3 acid-base disorders: metabolic acidosis, chronic respiratory alkalosis and mixed metabolic acidosis and chronic respiratory alkalosis. Hypobicarbonatemia due to chronic respiratory alkalosis is often misdiagnosed as a metabolic acidosis and mistreated with the administration of alkali therapy. Proper diagnosis of the cause of hypobicarbonatemia requires integration of the laboratory values, arterial blood gas, and clinical history...
September 2017: American Journal of Kidney Diseases: the Official Journal of the National Kidney Foundation
https://www.readbyqxmd.com/read/28580470/new-insights-into-the-chemistry-of-ionic-alkylorganic-carbonates-a-computational-study
#13
Khaleel I Assaf, Abdussalam K Qaroush, Ala'a F Eftaiha
A library of hydrogenated, perfluorinated aliphatic and aromatic (p-substituted) alcohols are selected together with a combination of superbases (SBs) and metal hydrides (MHs) to understand the thermodynamic parameters of the binary mixtures once serving as sorbents for the capture of CO2via ionic organic alkyl-carbonate (RCO3(-)) formation. Data are obtained using density functional theory (DFT) calculations with the B3LYP/6-31+G* level of theory and compared with the experimental results acquired from the literature using different spectroscopic techniques...
June 14, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28513658/capillary-zone-electrophoresis-mass-spectrometry-with-microliter-scale-loading-capacity-140-min-separation-window-and-high-peak-capacity-for-bottom-up-proteomics
#14
Daoyang Chen, Xiaojing Shen, Liangliang Sun
Better peptide separation is required for bottom-up proteomics for further improving the proteome coverage. The two-dimensional liquid chromatography (2D-LC) systems only explore differences among peptides in their hydrophobicity (reversed-phase, RP) and charge (strong cation/anion exchange, SCX/SAX). Alternative separation techniques with different separation mechanisms are required to further improve the separation. Capillary zone electrophoresis (CZE) is an attractive alternative because it has high efficiency for separation of biomolecules and it separates analytes based on their size-to-charge ratios, complementary with LC...
May 17, 2017: Analyst
https://www.readbyqxmd.com/read/28513171/ni-ii-complexes-of-the-redox-active-bis-2-aminophenyl-dipyrrin-structural-spectroscopic-and-theoretical-characterization-of-three-members-of-an-electron-transfer-series
#15
Jules Moutet, Christian Philouze, Amaury du Moulinet d'Hardemare, Nicolas Leconte, Fabrice Thomas
The sterically hindered bis(2-aminophenyl)dipyrrin ligand H3(N)L was prepared. X-ray diffraction discloses a bifurcated hydrogen bonding network involving the dipyrrin and one aniline ring. The reaction of H3(N)L with one equivalent of nickel(II) in the air produces a paramagnetic neutral complex, which absorbs intensively in the Vis-NIR region. Its electron paramagnetic resonance spectrum displays resonances at g1 = 2.033, g2 = 2.008, and g3 = 1.962 that are reminiscent of an (S = 1/2) system having a predominant organic radical character...
May 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28511010/%C3%AF-extended-and-curved-antiaromatic-polycyclic-hydrocarbons
#16
Junzhi Liu, Ji Ma, Ke Zhang, Prince Ravat, Peter Machata, Stanislav Avdoshenko, Felix Hennersdorf, Hartmut Komber, Wojciech Pisula, Jan J Weigand, Alexey A Popov, Reinhard Berger, Klaus Müllen, Xinliang Feng
Synthesis of antiaromatic polycyclic hydrocarbons (PHs) is challenging because the high energy of their highest occupied molecular orbital and low energy of their lowest unoccupied molecular orbital cause them to be reactive and unstable. In this work, two large antiaromatic acene analogues, namely, cyclopenta[pqr]indeno[2,1,7-ijk]tetraphene (CIT, 1a) and cyclopenta[pqr]indeno[7,1,2-cde]picene (CIP, 1b), as well as a curved antiaromatic molecule with 48 π-electrons, dibenzo[a,c]diindeno[7,1,2-fgh:7',1',2'-mno]phenanthro[9,10-k]tetraphene (DPT, 1c), are synthesized on the basis of the corona of indeno[1,2-b]fluorene...
June 7, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28419895/electrochemical-oxidation-of-iron-and-alkalinity-generation-for-efficient-sulfide-control-in-sewers
#17
Hui-Wen Lin, Caroline Kustermans, Eleni Vaiopoulou, Antonin Prévoteau, Korneel Rabaey, Zhiguo Yuan, Ilje Pikaar
The addition of iron salts is one of the most commonly used dosing strategies for sulfide control in sewers. However, iron salts decrease the sewage pH which not only reduces the effectiveness of sulfide precipitation but also enhances the release of residual sulfide to the sewer atmosphere. Equally important, concentrated iron salt solutions are corrosive and their frequent transport, handling, and on-site storage often come with Occupational Health and Safety (OH&S) concerns. Here, we experimentally demonstrated a novel sulfide control approach using electrochemical systems with parallel placed iron electrodes...
July 1, 2017: Water Research
https://www.readbyqxmd.com/read/28414977/design-of-the-magnetic-homonuclear-bonds-boron-nitride-nanosheets-using-dft-methods
#18
E Chigo Anota, A Bautista Hernández, A Escobedo Morales, M Castro
Design and characterization of the structural, electronic, and magnetic properties of armchair boron-nitride, BN (B27N27H18), nanosheets were performed by means of density functional theory all-electron calculations. The HSEh1PBE-GGA method together with 6-31G(d) basis sets were used. Non-stoichiometric B30N24H18 and B24N30H18 compositions: rich in boron or nitrogen atoms, forming homonuclear B or N bonds, respectively, were chosen. The obtained results reveal that these BN nanosheets reach structural stability in the anionic form, where semiconductor and magnetic behaviors are promoted...
March 30, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28414668/autoimmune-diabetes-presented-with-diabetic-ketoacidosis-induced-by-immunotherapy-in-an-adult-with-melanoma
#19
A A Alzenaidi, J Dendy, L Rejjal
INTRODUCTION: Immunotherapy has been approved for treatment of melanoma. Autoimmune endocrinopathies have been reported in trials involving immunotherapy but autoimmune diabetes has not been definitively linked to them. Here we describe a case of autoimmune diabetes presenting with DKA after receiving combined immunotherapy with anti-CTLA4 and anti-PD1 monoclonal antibodies. CASE: A 47year old gentleman with metastatic melanoma presented to our institution with confusion, abdominal pain and decreased oral intake...
March 2017: Journal of the Louisiana State Medical Society: Official Organ of the Louisiana State Medical Society
https://www.readbyqxmd.com/read/28395879/determination-of-tissue-hypoxia-by-physicochemical-approach-in-premature-anemia
#20
Zeliha Özdemir, Birgin Törer, Deniz Hanta, Bilin Cetinkaya, Hande Gulcan, Aylin Tarcan
BACKGROUND: Anemia is a common problem in premature infants and its most rapid and effective therapy is erythrocyte transfusion. However, owing to inherent risks of transfusion in this population, transfusions should be administered only when adequate oxygen delivery to tissues is impaired. The aim of this study was to determine tissue acid levels using Stewart method in an attempt to evaluate the tissue oxygenation level and thereby the accuracy of transfusion timing. METHODS: This study included 47 infants delivered at gestational age below 34 weeks who required erythrocyte transfusion for premature anemia...
February 17, 2017: Pediatrics and Neonatology
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