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https://www.readbyqxmd.com/read/28817775/departure-from-a-spherically-symmetric-ground-state-in-a-system-with-a-half-filled-shell-the-case-example-of-berkelium-iv-iodate
#1
Mark A Silver, Samantha K Cary, Alejandro J Garza, Ryan E Baumbach, Alexandra A Arico, Gregory A Galmin, Kuan-Wen Chen, Jason A Johnson, Jamie C Wang, Ronald J Clark, Alexander Chemey, Teresa M Eaton, Matthew L Marsh, Kevin Seidler, Shane S Galley, Lambertus van de Burgt, Ashley L Gray, David E Hobart, Kenneth Hanson, Shelley M van Cleve, Frédéric Gendron, Jochen Autschbach, Gustavo E Scuseria, Laurent Maron, Manfred Speldrich, Paul Kögerler, Cristian Celis-Barros, Dayán Paéz-Hernandéz, Ramiro Arratia-Perez, Michael Ruf, Thomas E Albrecht-Schmitt
The reaction of 249Bk(OH)4 with iodate under hydrothermal conditions results in the formation of Bk(IO3)3 as the major product with trace amounts of Bk(IO3)4 also crystallizing from the reaction mixture. The structure of Bk(IO3)3 consists of nine-coordinate BkIII cations that are bridged by iodate anions to yield layers that are isomorphous with those found for AmIII, CfIII, and with lanthanides that possess similar ionic radii. Bk(IO3)4 was expected to adopt the same structure as M(IO3)4 (M = Ce, Np, Pu), but instead parallels the structural chemistry of the smaller ZrIV cation...
August 17, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28817613/diflunisal-inhibits-prestin-by-chloride-dependent-mechanism
#2
Guillaume Duret, Fred A Pereira, Robert M Raphael
The motor protein prestin is a member of the SLC26 family of anion antiporters and is essential to the electromotility of cochlear outer hair cells and for hearing. The only direct inhibitor of electromotility and the associated charge transfer is salicylate, possibly through direct interaction with an anion-binding site on prestin. In a screen to identify other inhibitors of prestin activity, we explored the effect of the non-steroid anti-inflammatory drug diflunisal, which is a derivative of salicylate. We recorded prestin activity by whole-cell patch clamping HEK cells transiently expressing prestin and mouse outer hair cells...
2017: PloS One
https://www.readbyqxmd.com/read/28817290/air-stable-porous-fe2n-encapsulated-in-carbon-microboxes-with-high-volumetric-lithium-storage-capacity-and-long-cycle-life
#3
Yifan Dong, Bingliang Wang, Kangning Zhao, Yanhao Yu, Xudong Wang, Liqiang Mai, Song Jin
The development of inexpensive electrode materials with high volumetric capacity and long cycle-life is a central issue for large-scale lithium-ion batteries. Here, we report a nanostructured porous Fe2N anode fully encapsulated in carbon microboxes (Fe2N@C) prepared through a facile confined anion conversion method. The resulting carbon microboxes could not only protect the air-sensitive Fe2N from oxidation, but also retain thin and stable SEI layer. The appropriate internal voids in the Fe2N cubes help to release the volume expansion during lithiation/delithiation processes and Fe2N is kept inside the carbon microboxes without breaking the shell, resulting in a very low electrode volume expansion (the electrode thickness variation upon lithiation is ~9%)...
August 17, 2017: Nano Letters
https://www.readbyqxmd.com/read/28817264/structural-diversities-in-heterometallic-mn-ca-cluster-chemistry-from-the-use-of-salicylhydroxamic-acid-mn-iii-4ca2-mn-ii-iii-6ca2-mn-iii-iv-8ca-and-mn-iii-8ca2-complexes-with-relevance-to-both-high-and-low-valent-states-of-the-oxygen-evolving-complex
#4
Alysha A Alaimo, Evangelia S Koumousi, Luís Cunha-Silva, Laura J McCormick, Simon J Teat, Vassilis Psycharis, Catherine P Raptopoulou, Shreya Mukherjee, Chaoran Li, Sayak Das Gupta, Albert Escuer, George Christou, Theocharis C Stamatatos
One-pot reactions between the [Mn3O(O2CPh)6(py)x](+/0) triangular precursors and either CaBr2·xH2O or CaCl2·6H2O, in the presence of salicylhydroxamic acid (shaH2), have afforded the heterometallic complexes [Mn(III)4Ca2(O2CPh)4(shi)4(H2O)3(Me2CO)] (1) and (pyH)[Mn(II)2Mn(III)4Ca2Cl2(O2CPh)7(shi)4(py)4] (2), respectively, in good yields. Further reactions but using a more flexible synthetic scheme comprising the Mn(NO3)2·4H2O/Ca(NO3)2·4H2O and Mn(O2CPh)2·2H2O/Ca(ClO4)2·4H2O "metal blends" and shaH2, in the presence of external base NEt3, led to the new complexes (NHEt3)2[Mn(III)4Mn(IV)4Ca(OEt)2(shi)10(EtOH)2] (3) and (NHEt3)4[Mn(III)8Ca2(CO3)4(shi)8] (4), respectively...
August 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28817257/cation-anion-arrangement-patterns-in-self-assembled-pd2l4-and-pd4l8-coordination-cages
#5
Guido H Clever, Philip Punt
Compounds featuring one-dimensional regular arrangements of stacked metal complexes and alternating [cation-anion]∞ sequences have raised considerable interest owing to their peculiar electronic and optical properties as well as guest inclusion capabilities. While traditional ways to realize these structural motifs rely on crystalline compounds, exclusively existing in the solid state, recent progress in the area of metal-mediated supramolecular self-assembly allows for the rational synthesis of structurally well-defined short stretches of stacked metal complexes and cation-anion arrangements...
August 17, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28817225/anionic-palladium-0-and-palladium-ii-ate-complexes
#6
Marlene Kolter, Katharina Böck, Konstantin Karaghiosoff, Konrad Koszinowski
Palladium ate complexes are frequently invoked as important intermediates in Heck and cross-coupling reactions, but so far have largely eluded a characterization at the molecular level. Here, we use electrospray-ionization mass spectrometry, electrical conductivity measurements, and NMR spectroscopy to show that the electron-poor catalyst [L₃Pd] (L = tris[3,5-bis(trifluoromethyl)-phenyl]phosphine) readily reacts with Br- ions to afford the anionic, zero-valent ate complex [L₃PdBr]-. In contrast, more electron-rich Pd catalysts display lower tendencies toward the formation of ate complexes...
August 17, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28817150/beryllium-based-fluorenes-as-efficient-anion-sponges
#7
M Merced Montero-Campillo, Inés Corral, Otilia Mó, Manuel Yáñez, Ibon Alkorta, José Elguero
The F(-), Cl(-), CN(-), NO2(-), NO3(-), and SO4(2-) anion affinities of 4,5-bis(BeX)-fluorene (X = H, F, Cl, CN, NC, and OCH3) derivatives have been calculated at the B3LYP/6-311+G(3df,2p)//B3LYP/6-31+G(d,p) level of theory. The reliability of this approach was assessed using, for some suitable cases, the accurate G4MP2 ab initio composite method as a reference. The values obtained indicate that these derivatives exhibit anion affinities which are among the largest ones reported for single neutral molecules, and therefore these compounds behave as anion sponges, very much as their 1,8-diBeX-naphthalene analogues...
August 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28816459/observation-and-characterization-of-ch3ch2-mh-ch2-2-mh2-ch2-ch-mh3-and-ch3-c%C3%A2-mh3-produced-by-reactions-of-group-5-metal-atoms-with-ethane
#8
Han-Gook Cho, Lester Andrews
The primary products in reactions of laser-ablated group 5 metal atoms with ethane have been identified in argon matrix IR spectra and characterized via DFT computations. The 2nd and 3rd row transition-metals produced insertion, metallacyclopropane, vinyl trihydrido, and anionic ethylidyne complexes (CH3CH2-MH, (CH2)2-MH2, CH2=CH-MH3, and CH3C≡MH3-) while the 1st row transition-metal yielded only the insertion and metallacyclopropane products. The energetically higher ethylidenes and neutral ethylidynes (CH3CH=MH2 and CH3C≐MH3) were not detected...
August 17, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28816444/mapping-the-intricate-reactivity-of-nanojars-toward-molecules-of-varying-acidity-and-their-conjugate-bases-leading-to-exchange-of-pyrazolate-ligands
#9
Christian K Hartman, Gellert Mezei
A comprehensive reactivity study of nanojars toward 18 different acidic compounds with varying pKa, including 12 different carboxylic acids (both aliphatic and aromatic mono- and dicarboxylic acids), p-toluenesulfonic acid, hydrogen sulfate, hydrogen carbonate, carbonic acid, 1-decanethiol, and methanol, as well as four different conjugate bases (formate, acetate, benzoate, 2-bromoethanesulfonate) is carried out with the aid of electrospray-ionization mass spectrometry. Thus, the effect on nanojar substitution and breakdown pattern of a number of variables, such as concentration of reagent (acid or conjugate base), acidity of reagent (pKa), effect of acid vs conjugate base, steric effects, aromaticity, incarcerated anion and size of the nanojar, is evaluated...
August 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28816321/transport-properties-and-ionicity-of-phosphonium-ionic-liquids
#10
F Philippi, D Rauber, J Zapp, R Hempelmann
Ionic liquids (ILs) are promising electrolytes and many efforts have been made in basic scientific research as well as in applied research. In this contribution, we synthesised a variety of partly novel phosphonium ILs with different anions as well as with different compositions and lengths of the side chains of the cations. We measured a variety of their important transport properties such as viscosity, conductivity and diffusivity by means of stress-controlled rheology, impedance spectroscopy and PFGSTE NMR diffusometry...
August 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28815833/solvation-accounts-for-the-counter-intuitive-nucleophilicity-ordering-of-peroxide-anions
#11
Robert Mayer, Takahiro Tokuyasu, Peter Mayer, Jérôme Gomar, Stéphane Sabelle, Benedetta Mennucci, Herbert Mayr, Armin R Ofial
The nucleophilic reactivities (N, sN) of peroxide anions (generated from aromatic and aliphatic peroxyacids or alkyl hydroperoxides) were investigated by following the kinetics of their reactions with a series of benzhydrylium ions (Ar2CH+) in alkaline aqueous solutions at 20 °C. The second-order rate constants revealed that deprotonated peroxyacids (RCO3-), though being the considerably weaker Brønsted bases, react much faster than anions of aliphatic hydroperoxides (ROO-). Substitution of the rate constants of their reactions with benzhydrylium ions into the linear free energy relationship lg k = sN(N + E) furnished nucleophilicity parameters (N, sN) of peroxide anions, which were successfully applied to predict the rates of Weitz-Scheffer epoxidations...
August 16, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28815824/time-of-flight-secondary-ion-mass-spectrometry-tof-sims-using-a-new-primary-ion-beam-generated-by-vacuum-electrospray-of-a-protic-ionic-liquid-propylammonium-nitrate
#12
Yukio Fujiwara, Naoaki Saito
RATIONALE: Protic ionic liquids have the potential to be useful materials for primary ion beams in terms of protonation, since they have active protons. Selecting protic ionic liquids suitable for primary ion beams is of great importance to increase molecular secondary ion yields. Propylammonium nitrate ([C3 H7 NH3 ][NO3 ]) seems promising in view of its proton affinity. It is likely that [C3 H7 NH3 ](+) cations can act as proton donors, and [NO3 ](-) anions can work as proton acceptors...
August 16, 2017: Rapid Communications in Mass Spectrometry: RCM
https://www.readbyqxmd.com/read/28815024/stem-cell-derived-organoids-to-model-gastrointestinal-facets-of-cystic-fibrosis
#13
REVIEW
Meike Hohwieler, Lukas Perkhofer, Stefan Liebau, Thomas Seufferlein, Martin Müller, Anett Illing, Alexander Kleger
Cystic fibrosis (CF) is one of the most frequently occurring inherited human diseases caused by mutations in the cystic fibrosis transmembrane conductance regulator (CFTR) which lead to ample defects in anion transport and epithelial fluid secretion. Existing models lack both access to early stages of CF development and a coeval focus on the gastrointestinal CF phenotypes, which become increasingly important due increased life span of the affected individuals. Here, we provide a comprehensive overview of gastrointestinal facets of CF and the opportunity to model these in various systems in an attempt to understand and treat CF...
August 2017: United European Gastroenterology Journal
https://www.readbyqxmd.com/read/28814948/synthesis-characterization-cytotoxic-activity-and-interactions-with-ct-dna-and-bsa-of-cationic-ruthenium-ii-complexes-containing-dppm-and-quinoline-carboxylates
#14
Edinaldo N da Silva, Paulo A B da Silva, Angélica E Graminha, Pollyanna F de Oliveira, Jaqueline L Damasceno, Denise C Tavares, Alzir A Batista, Gustavo Von Poelhsitz
The complexes cis-[Ru(quin)(dppm)2]PF6 and cis-[Ru(kynu)(dppm)2]PF6 (quin = quinaldate; kynu = kynurenate; dppm = bis(diphenylphosphino)methane) were prepared and characterized by elemental analysis, electronic, FTIR, (1)H, and (31)P{(1)H} NMR spectroscopies. Characterization data were consistent with a cis arrangement for the dppm ligands and a bidentate coordination through carboxylate oxygens of the quin and kynu anions. These complexes were not able to intercalate CT-DNA as shown by circular dichroism spectroscopy...
2017: Bioinorganic Chemistry and Applications
https://www.readbyqxmd.com/read/28814519/extracellular-matrix-proteins-mediate-hiv-1-gp120-interactions-with-%C3%AE-4%C3%AE-7
#15
David Plotnik, Wenjin Guo, Brad Cleveland, Priska von Haller, Jimmy K Eng, Miklos Guttman, Kelly K Lee, James Arthos, Shiu-Lok Hu
Gut-homing α4β7(high) CD4(+) T lymphocytes have been shown to be preferentially targeted by Human Immunodeficiency Virus-1 (HIV), and are implicated in HIV pathogenesis. Previous studies demonstrated that HIV envelope protein gp120 binds and signals through α4β7, and that this likely contributes to the infection of α4β7(high) T cells and promotes cell-to-cell virus transmission. Structures within the second variable loop (V2) of gp120, including the tripeptide motif LDV/I, are thought to mediate gp120-α4β7 binding...
August 16, 2017: Journal of Virology
https://www.readbyqxmd.com/read/28814497/extracellular-acid-base-balance-and-ion-transport-between-body-fluid-compartments
#16
REVIEW
Julian L Seifter, Hsin-Yun Chang
Clinical assessment of acid-base disorders depends on measurements made in the blood, part of the extracellular compartment. Yet much of the metabolic importance of these disorders concerns intracellular events. Intracellular and interstitial compartment acid-base balance is complex and heterogeneous. This review considers the determinants of the extracellular fluid pH related to the ion transport processes at the interface of cells and the interstitial fluid, and between epithelial cells lining the transcellular contents of the gastrointestinal and urinary tracts that open to the external environment...
September 2017: Physiology
https://www.readbyqxmd.com/read/28814306/blood-acid-base-status-in-impala-aepyceros-melampus-immobilised-and-maintained-under-total-intravenous-anaesthesia-using-two-different-drug-protocols
#17
Gareth E Zeiler, Leith C R Meyer
BACKGROUND: In mammals, homeostasis and survival are dependent on effective trans-membrane movement of ions and enzyme function, which are labile to extreme acid-base changes, but operate efficiently within a narrow regulated pH range. Research in patients demonstrating a pH shifts outside the narrow regulated range decreased the cardiac output and systemic vascular resistance and altered the oxygen binding to haemoglobin. These cardiopulmonary observations may be applicable to the risks associated with anaesthesia and performance of wildlife ungulates on game farms...
August 16, 2017: BMC Veterinary Research
https://www.readbyqxmd.com/read/28814193/sirolimus-and-mirabegron-interaction-in-a-hematopoietic-cell-transplant-patient
#18
Jeff A Engle, Christina Fair
Purpose Hematopoietic cell transplant patients are exposed to numerous classes of medications. Transplant practitioners must vigilantly monitor for drug interactions especially involving immunosuppressants. We report a hematopoietic cell transplant patient receiving sirolimus who developed supratherapeutic serum concentrations after initiating mirabegron. Summary A 31-year-old, 98 kg female received a second umbilical cord blood transplant four years after the first transplant for relapsed acute myeloid leukemia...
January 1, 2017: Journal of Oncology Pharmacy Practice
https://www.readbyqxmd.com/read/28814125/recreational-drug-use-at-a-major-music-festival-trend-analysis-of-anonymised-pooled-urine
#19
Lotte Christine Groth Hoegberg, Cecilie Christiansen, Jesper Soe, Rasmus Telving, Mette Findal Andreasen, Dan Staerk, Lona Louring Christrup, Kenneth Thermann Kongstad
OBJECTIVE: The spread of new psychoactive substances (NPS) has expanded rapidly in the last decade. The complexity of the pharmacological effects of NPS challenges the traditional treatment guidelines, and information of the emergence of new arrivals is valuable. Our knowledge on the actual range of recreational drugs used and NPS available in Denmark is limited as identification is possible only when consumers become patients in the healthcare system or through drug seizures. We aimed to detect classical recreational drugs and NPS in the urine of music festival attendees and evaluate if the use of NPS could have been predicted by comparing study data with drug seizure data from the previous year published by European and Danish health authorities...
August 17, 2017: Clinical Toxicology
https://www.readbyqxmd.com/read/28813781/bee-venom-decreases-lps-induced-inflammatory-responses-in-bovine-mammary-epithelial-cells
#20
Chang Hee Jeong, Wei Nee Cheng, Hyojin Bae, Kyung Woo Lee, Sang Mi Han, Michael C Petriello, Hong Gu Lee, Han Geuk Seo, Sung Gu Han
The world dairy industry has long been challenged by bovine mastitis, an inflammatory disease, which causes economic loss due to decreased milk production and quality. Attempts have been made to prevent or treat this disease with multiple approaches, primarily through increased abuse of antibiotics, but effective natural solutions remain elusive. Bee venom (BV) contains a variety of peptides (e.g., melittin) and that shows multiple bioactivities including prevention of inflammation. Thus, in the current study, it was hypothesized that BV can reduce inflammation in bovine mammary epithelial cells (MAC-T)...
August 17, 2017: Journal of Microbiology and Biotechnology
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