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21.
Tunneled metal oxides such as α-Mn8O16 (hollandite) have proven to be compelling candidates for charge-storage materials in high-density batteries. In particular, the tunnels can support one-dimensional chains of K+ ions (which act as structure-stabilizing dopants) and H2O molecules, as these chains are favored by strong H-bonds and electrostatic interactions. In this work, we examine the role of water molecules in enhancing the stability of K+-doped α-Mn8O16 (cryptomelane). The combined experimental and theoretical analyses show that for high enough concentrations of water and tunnel-ions, H2O displaces K+ ions from their natural binding sites. This displacement becomes energetically favorable due to the formation of K2+ dimers, thereby modifying the stoichiometric charge of the system. These findings have potentially significant technological implications for the consideration of cryptomelane as a Li+/Na+ battery electrode. Our work establishes the functional role of water in altering the energetics and structural properties of cryptomelane, an observation that has frequently been overlooked in previous studies.

Water displaces potassium ions and initiates the formation of a homonuclear dimer ion (K2+) in the tunnels of hollandite.  相似文献   
22.
Five hundred tons of antibiotics are consumed yearly in the world. In this study, the biodegradation characteristics of tetracycline (TET) under nitrate-reducing, sulfate-reducing, and methanogenic conditions were determined by batch tests. Also, effects of TET on mixed microbial cultures were revealed by microbiological analysis. In this scope, gas generation and composition, dissolved organic carbon, and electron acceptor concentrations were monitored during 120 days. Additionally, changes on quantities of specific microbial groups were determined by Q-PCR. TET showed non-biodegradable behavior under nitrate- and sulfate-reducing conditions, whereas slightly biodegradable behavior under methanogenic conditions approximately 46 % degradation. The effects of TET on the abundance of mixed culture varied according to taxonomic units. Sulfate-reducing bacteria were inhibited by TET, while archaeal, bacterial, and methanogenic populations were not affected significantly.  相似文献   
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A highly regioselective ruthenium‐catalyzed hydroaminomethylation of olefins is reported. Using easily available trirutheniumdodecacarbonyl an efficient sequence consisting of a water‐gas shift reaction, hydroformylation of olefins, with subsequent imine or enamine formation and final reduction is realized. This novel procedure is highly practical (ligand‐free, one pot) and economic (low catalyst loading and inexpensive metal). Bulk industrial as well as functionalized olefins react with various amines to give the corresponding tertiary amines generally in high yields (up to 92 %), excellent regioselectivities (n/iso>99:1), and full chemoselectivity in favor of terminal olefins.  相似文献   
25.
Regioselective Michael addition of nitro and heterocyclic compounds to levoglucosenone, 1, is effectively catalyzed by amines and also by cathodic electrolysis. In comparison to the base-catalyzed reaction, it was found that under electrochemical conditions the reaction proceeds under milder conditions and with higher yields. Cathodically-initiated Michael addition of thiols to levoglucosenone using small currents produces the previously unknown threo addition product in several instances. The normal erythro isomer, identified as the kinetic product, tends to be formed when large currents are used. In contrast, slow, low current electrolyses promote equilibration of the two forms so that erythro can be converted to threo by the retro reaction and readdition. Addition of 2-naphthalenethiol to (R)-(+)-apoverbenone is also reported.  相似文献   
26.
We provide sufficient conditions for the non-existence of global solutions for a certain class of sequential fractional differential inequalities involving Riemann-Liouville left-sided fractional derivatives with different orders. To the best of our knowledge, the study of non-existence of solutions for fractional differential problems with sequential fractional derivatives has not been investigated until now. Our approach is based on the test function method.  相似文献   
27.
Benzylidenecyanoacetamide reacted with dimethylsulfonium phenacylide to form 2-benzoyl-1-cyano-3-phenylcyclopropanecarboxamide and a product of its intramolecular cyclization,viz., a derivative of 3-azabicyclo[3.2.1]hexan-2-one. The structures of the products were established by X-ray diffraction analysis.  相似文献   
28.
In this paper, some fractional integral inequalities involving m-convex functions are established. The presented results are generalizations of the obtained inequalities in Dragomir and Toader (Babe?-Bolyai Math 38:21–28, 1993).  相似文献   
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The egalitarian solutions for general cooperative games which were defined and axiomatized by Kalai and Samet, are compared to the Harsanyi solution. It is shown that axioms used by Hart to characterize the Harsanyi solution can be used to characterize the (symmetric) egalitarian solution. The only changes needed are the omission of the scale covariance axiom and the inclusion, in the domain of the solution, of games which lack a certain smoothness requirement.  相似文献   
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