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https://www.readbyqxmd.com/read/28813058/fine-tuning-of-catalytic-and-sorption-properties-of-metal-organic-frameworks-via-in-situ-ligand-exchange
#1
Peng Wang, Kai Chen, Qing Liu, Huai-Wei Wang, Mohammad Azam, Saud I Al-Resayes, Yi Lu, Wei-Yin Sun
Metal-organic frameworks (MOFs) are gaining considerable attention not only because of their diverse structures but also due to their interesting properties and potential applications. However, fabrication of MOFs with desired structures and properties remains a great challenge. In this study, a strategy based on ligand exchange via single-crystal-to-single-crystal (SCSC) transformation has been undertaken, which can be used to achieve MOFs not available by direct synthesis and also to enrich the family of isoreticular MOFs...
August 16, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28813052/mixed-ligand-iridium-iii-complexes-as-photodynamic-anticancer-agents
#2
Yue Zheng, Liang He, Dong-Yang Zhang, Cai-Ping Tan, Liang-Nian Ji, Zong-Wan Mao
Many phosphorescent iridium complexes are potent candidates as photodynamic therapeutic agents. In this work, a series of mixed-ligand phosphorescent iridium complexes (Ir1: [Ir(L1)(bpy)Cl](PF6)2; Ir2: [Ir(L1)(ppy)Cl](PF6); Ir3: [Ir(L2)(bpy)Cl](PF6)2; Ir4: [Ir(L2)(ppy)Cl](PF6). L1 = 2,6-bis(2-benzimidazolyl)pyridine; bpy = 2,2'-bipyridine; L2 = 2,6-bis(1-methyl-benzimidazol-2-yl)pyridine; ppy = 2-phenylpyridine) have been synthesized and characterized. These complexes display high luminescence quantum yields and long phosphorescence lifetimes...
August 16, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28813050/on-surface-synthesis-of-heptacene-and-its-interaction-with-a-metal-surface
#3
Malte Zugermeier, Manuel Gruber, Martin Schmid, Benedikt P Klein, Lukas Ruppenthal, Philipp Müller, Ralf Einholz, Wolfgang Hieringer, Richard Berndt, Holger F Bettinger, J Michael Gottfried
Heptacene was generated by surface-assisted didecarbonylation of an α-diketone precursor on a Ag(111) surface. Monitoring of the surface reaction and characterization of the adsorbed heptacene was performed with scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, and density functional theory (DFT) calculations. The surface-assisted formation of heptacene occurs around 460 K. Both the heptacene and the precursor molecules are oriented along the high-symmetry directions of the (111) surface and their molecular π systems face towards the substrate...
August 16, 2017: Nanoscale
https://www.readbyqxmd.com/read/28813049/unprecedented-solvent-induced-inter-conversion-between-monomeric-and-dimeric-silylene-zinc-iodide-adducts
#4
Sandeep Yadav, Ekta Sangtani, Diksha Dhawan, Rajesh G Gonnade, Debashree Ghosh, Sakya S Sen
Usually, when a silylene reacts with a transition metal Lewis acid, it forms an adduct which could be either monomeric or dimeric. However, we present here that a silylene, [PhC(NtBu)2SiN(SiMe3)2] can form both monomeric [PhC(NtBu)2Si{N(SiMe3)2} → ZnI2]·THF (1) and dimeric [{PhC(NtBu)2}(N(SiMe3)2)SiZnI,(μ-I)]2 (2) adducts upon reaction with ZnI2. The formation of 1 and 2 relies upon the solvent used for the reaction or crystallization. When the crystallization is carried out in THF complex 1 is formed, however, when the reaction and crystallization are performed in acetonitrile complex 2 is obtained...
August 16, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28813013/recent-advances-in-electrospun-nanofiber-interfaces-for-biosensing-devices
#5
REVIEW
Eleni Sapountzi, Mohamed Braiek, Jean-François Chateaux, Nicole Jaffrezic-Renault, Florence Lagarde
Electrospinning has emerged as a very powerful method combining efficiency, versatility and low cost to elaborate scalable ordered and complex nanofibrous assemblies from a rich variety of polymers. Electrospun nanofibers have demonstrated high potential for a wide spectrum of applications, including drug delivery, tissue engineering, energy conversion and storage, or physical and chemical sensors. The number of works related to biosensing devices integrating electrospun nanofibers has also increased substantially over the last decade...
August 16, 2017: Sensors
https://www.readbyqxmd.com/read/28813006/samarium-monosulfide-sms-reviewing-properties-and-applications
#6
REVIEW
Andreas Sousanis, Philippe F Smet, Dirk Poelman
In this review, we give an overview of the properties and applications of samarium monosulfide, SmS, which has gained considerable interest as a switchable material. It shows a pressure-induced phase transition from the semiconducting to the metallic state by polishing, and it switches back to the semiconducting state by heating. The material also shows a magnetic transition, from the paramagnetic state to an antiferromagnetically ordered state. The switching behavior between the semiconducting and metallic states could be exploited in several applications, such as high density optical storage and memory materials, thermovoltaic devices, infrared sensors and more...
August 16, 2017: Materials
https://www.readbyqxmd.com/read/28813001/dual-band-band-pass-filter-with-fixed-low-band-and-fluidically-tunable-high-band
#7
Eiyong Park, Daecheon Lim, Sungjoon Lim
In this work, we present a dual-band band-pass filter with fixed low-band resonant frequency and tunable high-band resonant frequency. The proposed filter consists of two split-ring resonators (SRRs) with a stub and microfluidic channels. The lower resonant frequency is determined by the length of the SRR alone, whereas the higher resonant frequency is determined by the lengths of the SRR and the stub. Using this characteristic, we fix the lower resonant frequency by fixing the SRR length and tune the higher resonant frequency by controlling the stub length by injecting liquid metal in the microfluidic channel...
August 16, 2017: Sensors
https://www.readbyqxmd.com/read/28812956/toxicity-identification-and-evaluation-for-the-effluent-from-a-nonmetallic-mineral-mining-facility-in-korea-using-d-magna
#8
Sungjong Lee, Hongjoo Ha, JinKyung Hong, Guyoung Kang, Chunsang Hong
Industrial wastewater has attracted increasing attention in recent years because of its impact on ecosystems and human health. Whole-effluent tests are generally used to monitor toxicities of unknown chemicals and conventional pollutants from industrial effluent discharges. This study described identification evaluation (TIE) procedures to determine the acute toxicity of a nonmetallic mineral mining facility effluent that was toxic to Daphnia magna. In the characterization step (TIE phase I), toxic effects of heavy metals, organic compounds, oxidants, volatile organic compounds, suspended solids, and ammonia were screened...
January 1, 2017: Toxicology and Industrial Health
https://www.readbyqxmd.com/read/28812896/free-energy-of-nucleation-and-interplay-between-size-and-composition-in-cuni-systems
#9
Solene Bechelli, Brittany Gonzalez, Vincent Piquet, Ilham Essafri, Caroline Desgranges, Jerome Delhommelle
Using molecular simulation, we shed light on the crystal nucleation process in systems of Cu, Ni and their nanoalloy. For each system, we simulate the formation of the crystal nucleus along the entire nucleation pathway and determine the free energy barrier overcome by the system to form a critical nucleus. Comparing the results obtained for the pure metals to those for the nanoalloy, we analyze the impact of alloying on the free energy of nucleation, as well as on the size and structure of the crystal nucleus...
August 16, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28812883/activation-of-molecular-oxygen-by-a-molybdenum-iv-imido-compound
#10
Niklas Zwettler, Nidhi Grover, Ferdinand Belaj, Karl Kirchner, Nadia C Mösch-Zanetti
Activation of molecular dioxygen at a molybdenum(IV) imido compound led to the isolation and full characterization of a remarkably stable transition-metal imidoperoxido complex.
August 16, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28812880/an-exceptionally-narrow-band-gap-%C3%A2-4-ev-silicate-predicted-in-the-cubic-perovskite-structure-basio3
#11
Hidenori Hiramatsu, Hitoshi Yusa, Ryo Igarashi, Yasuo Ohishi, Toshio Kamiya, Hideo Hosono
The electronic structures of 35 A(2+)B(4+)O3 ternary cubic perovskite oxides, including their hypothetical chemical compositions, were calculated by a hybrid functional method with the expectation that peculiar electronic structures and unique carrier transport properties suitable for semiconductor applications would be hidden in high-symmetry cubic perovskite oxides. We found unique electronic structures of Si-based oxides (A = Mg, Ca, Sr, and Ba, and B = Si). In particular, the unreported cubic BaSiO3 has a very narrow band gap (4...
August 16, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28812877/scru2b3-and-sc2rub6-borides-featuring-a-2d-infinite-boron-clustering
#12
Leonid P Salamakha, Oksana Sologub, Berthold Stöger, Peter Franz Rogl, Monika Waas, Volodymyr B Kapustianyk, Ernst Bauer
Two borides, ScRu2B3 and Sc2RuB6, were obtained by argon-arc melting of the elements followed by annealing at 800 °C. ScRu2B3 exhibits a new structure type with the space group Cmcm (a = 3.0195(2) Å, b = 15.4056(8) Å, c = 5.4492(3) Å; single crystal X-ray data; RF(2) = 0.0105). Sc2RuB6 adopts the Y2ReB6-type structure (space group Pbam; a = 8.8545(2) Å, b = 11.1620(3) Å, c = 3.4760(1) Å; single crystal X-ray data; RF(2) = 0.0185). ScRu2B3 displays an unusual intergrowth of CeCo3B2- and AlB2-related slabs; a striking feature is a boat configuration of puckered boron hexagons within infinite graphite like boron layers (6(3) nets)...
August 16, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28812873/ultrathin-manganese-based-metal-organic-framework-nanosheets-low-cost-and-energy-dense-lithium-storage-anodes-with-the-coexistence-of-metal-and-ligand-redox-activities
#13
Chao Li, Xiaoshi Hu, Wei Tong, Wensheng Yan, Xiaobing Lou, Ming Shen, Bingwen Hu
We herein demonstrate the fabrication of Mn- and Ni-based ultrathin metal-organic framework nanosheets with the same coordination mode (defined as 'Mn-UMOFNs' and 'Ni-UMOFNs', respectively) through an expedient and versatile ultrasonic approach, and scrutinize their electrochemical properties as anode materials for rechargeable lithium battery for the first time. The obtained Mn-UMOFNs with structure advantages over Ni-UMOFNs (thinner nanosheets, smaller metal-ion radius, higher specific surface area) exhibit high reversible capacity (1187 mAh g-1 at 100 mA g-1 for 100 cycles), excellent rate capability (701 mAh g-1 even at 2 A g-1), rapid Li+ diffusion coefficient (2...
August 16, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28812867/ultrasensitive-silicon-nanowire-sensor-developed-by-a-special-ag-modification-process-for-rapid-nh3-detection
#14
Yuxiang Qin, Diao Liu, Tianyi Zhang, Zhen Cui
Surface functionalization is very effective in enhancing sensing properties of a chemiresistive gas sensor. In this work, we develop a novel and cost-effective process to prepare Ag-modified silicon nanowire (SiNW) sensors and further suggest a resistance effect model to clarify the enhanced sensing mechanism of Ag-modified SiNWs. The SiNWs were formed via metal-assisted chemical etching (MACE), and the Ag nanoparticle (NP) modification was achieved in situ based on the MACE-produced Ag dendrites by involving a crucial anisotropic postetching of TMAH...
August 16, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28812748/cyclometalated-iridium-iii-n-heterocyclic-carbene-complexes-as-potential-mitochondrial-anticancer-and-photodynamic-agents
#15
Yi Li, Bing Liu, Xin-Ran Lu, Meng-Feng Li, Liang-Nian Ji, Zong-Wan Mao
Metal N-heterocyclic carbene (NHC) complexes represent a promising class of anticancer therapeutic agents. In this work, four cyclometalated iridium(iii) complexes (Ir1-Ir4) containing N-heterocyclic carbene ligands have been explored as mitochondrial anticancer and photodynamic agents. These complexes are more cytotoxic than cisplatin against the cancer cells screened, can quickly penetrate into A549 cells and are mainly localized in the mitochondria. Mechanism studies show that these complexes exert their anticancer efficacy by increasing the intracellular ROS level, reducing the mitochondrial membrane potential (MMP) and inducing apoptosis...
August 16, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28812744/benzene-centred-tripodal-diglycolamides-for-the-sequestration-of-trivalent-actinides-metal-ion-extraction-and-luminescence-spectroscopic-investigations-in-a-room-temperature-ionic-liquid
#16
Seraj Ahmad Ansari, Prasanta Kumar Mohapatra, Andrea Leoncini, Jurriaan Huskens, Willem Verboom
Three benzene-centred tripodal diglycolamide (Bz-T-DGA) ligands, where the diglycolamide (DGA) moieties are attached to a central benzene ring through ethylene spacers (LI), amide groups (LII) or ether linkages (LIII), were evaluated for their extraction behaviour towards trivalent actinide and lanthanide ions in a room temperature ionic liquid (RTIL), viz. 1-butyl-3-methylimidazolium bis(trifluoromethane)sulfonimide ([C4mim][Tf2N]). The extraction behaviour of these ligands in [C4mim][Tf2N] medium was compared with that obtained in the molecular solvent n-dodecane showing an opposite selectivity of LIII > LII > LIvs...
August 16, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28812543/assessing-the-performance-of-self-consistent-hybrid-functional-for-band-gap-calculation-in-oxide-semiconductors
#17
Jiangang He, Cesare Franchini
In this paper we assess the predictive power of the self-consistent hybrid functional scPBE0 in calculating the band gap of oxide semiconductors. The computational procedure is based on the self-consistent evaluation of the mixing parameter α by means of an iterative calculation of the static dielectric constant using the perturbation expansion after discretization (PEAD) method and making use of the relation α = 1/ε<sub>∞</sub>. Our materials dataset is formed by 30 compounds covering a wide range of band gaps and dielectric properties, and includes materials with a wide spectrum of application as thermoelectrics, photocatalysis, photovoltaics, transparent conducting oxides, and refractory materials...
August 16, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28812362/nitrogen-doped-porous-graphdiyne-a-highly-efficient-metal-free-electrocatalyst-for-oxygen-reduction-reaction
#18
Qing Lv, Wenyan Si, Ze Yang, Ning Wang, Zeyi Tu, Yuanping Yi, Changshui Huang, Li Jiang, Mingjia Zhang, Jianjiang He, Yun-Ze Long
Metal-free catalysts for oxygen reduction reaction (ORR) are the desired materials for low-cost proton exchange membrane fuel cells. Graphdiyne (GDY), a novel type of 2D carbon allotrope, is featured by sp and sp2 hybridized carbon, different from the other existed carbon materials. Thus nitrogen (N) can be doped in new styles by substituting sp hybridized carbon atoms, effective for ORR, which has been displayed in this study using both experimental and theorical technologies. The N doped GDY was synthesized with pyridine and NH3 as N sources, successively, expressing similar electrocatalytic activity at potential above 0...
August 16, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28812360/silicon-cations-intermixed-indium-zinc-oxide-interface-for-high-performance-thin-film-transistors-using-a-solution-process
#19
Jae Won Na, You Seung Rim, Hee Jun Kim, Jin Hyeok Lee, Seonghwan Hong, Hyun Jae Kim
Solution-processed amorphous metal-oxide thin-film transistors (TFTs) utilizing an intermixed interface between a metal-oxide semiconductor and a dielectric layer are proposed. In-depth physical characterizations are carried out to verify the existence of the intermixed interface which is inevitably formed by inter-diffusion of cations originated from a thermal process. In particular, when indium zinc oxide (IZO) semiconductor and silicon dioxide (SiO2) dielectric layer are in contact and thermally processed, a Si(4+) intermixed IZO (Si:IZO) interface is created...
August 16, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28812346/metal-free-synthesis-of-2-aminobenzothiazoles-via-iodine-catalyzed-and-oxygen-promoted-cascade-reactions-of-isothiocyanatobenzenes-with-amines
#20
Yuanshuang Xu, Bin Li, Xinying Zhang, Xuesen Fan
In this paper, a highly efficient and sustainable synthesis of 2-aminobenzothiazoles through the cascade reactions of isothiocyanatobenzenes with primary or secondary amines by using iodine as a catalyst and oxygen as an oxidant is presented. Mechanistically, the formation of the title compounds involves the in situ formation of the required benzothiourea intermediate followed by its intramolecular cross dehydrogenative coupling of a C(sp2)-H bond and a S-H bond. To our knowledge, this should be the first example in which 2-aminobenzothiazoles are efficiently prepared from simple and cheap isothiocyanates and amines under metal free conditions by using iodine as a catalyst and molecular oxygen as an oxidant with water as the byproduct...
August 16, 2017: Journal of Organic Chemistry
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