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Giulia Tuci, Lapo Luconi, Andrea Rossin, Enrico Berretti, Housseinou Ba, Massimo Innocenti, Dmitry Yakhvarov, Stefano Caporali, Cuong Pham-Huu, Giuliano Giambastiani
This paper describes the exohedral N-decoration of multi-walled carbon nanotubes (MWCNTs) with NH-aziridine groups via [2+1] cycloaddition of a tert-butyl-oxycarbonyl nitrene followed by controlled thermal decomposition of the cyclization product. The chemical grafting with N-containing groups deeply modifies the properties of the starting MWCNTs, generating new surface microenvironments with specific base (Brønsted) and electronic properties. Both these features translate into a highly versatile single-phase heterogeneous catalyst (MW@NAz) with remarkable chemical and electrochemical performance...
October 21, 2016: ACS Applied Materials & Interfaces
Mingzhu Xia, Yuting Chu, Tianyi Wang, Wu Lei, Fengyun Wang
As a kind of promising energetic materials, the double furazan-based and furoxan-based compounds have raised concerns of many researchers in recent years. In this paper, the optimized structures, energetic properties, heat of formation (HOF), detonation properties, and bond dissociation energies of these compounds were calculated by density functional theory (DFT) method. The results show that the N-O bond, which is close to the adjacent coordinated oxygen atom in furoxan ring, is more fragile than the other N-O bonds in the ring...
November 2016: Journal of Molecular Modeling
Cédric Boulho, Harmen S Zijlstra, Alexander Hofmann, Peter H M Budzelaar, Sjoerd Harder
Reaction of (TBBP)AlMe⋅THF with [Cp*2 Zr(Me)OH] gave [(TBBP)Al(THF)-O-Zr(Me)Cp*2 ] (TBBP=3,3',5,5'-tetra-tBu-2,2'-biphenolato). Reaction of [DIPPnacnacAl(Me)-O-Zr(Me)Cp2 ] with [PhMe2 NH](+) [B(C6 F5 )4 ](-) gave a cationic Al/Zr complex that could be structurally characterized as its THF adduct [(DIPPnacnac)Al(Me)-O-Zr(THF)Cp2 ](+) [B(C6 F5 )4 ](-) (DIPPnacnac=HC[(Me)C=N(2,6-iPr2 -C6 H3 )]2 ). The first complex polymerizes ethene in the presence of an alkylaluminum scavenger but in the absence of methylalumoxane (MAO)...
October 20, 2016: Chemistry: a European Journal
Büşra Kaya, Belkis Atasever-Arslan, Zeynep Kalkan, Hazal Gür, Bahri Ülküseven
Thiosemicarbozone complexes that have a broad spectrum of biological activity are formed as a result of condensation reaction between thiosemicarbazide [H2N(C=S)-NH-NH2] and carbonyl-containing compounds. A new Nickel(II) complexes with N1-acetylacetone, N4-4-methoxy-salicylidene-thiosemicarbazidato ligand was synthesized and characterized. We studied the antileukemic activity of the Ni(II) thiosemicarbazone compound and assessed their potential for drug development. Specifically, the effects of this Ni(II) thiosemicarbazone compound on intracellular signal nodes and apoptotic pathways were investigated...
October 2016: General Physiology and Biophysics
Woon Yong Sohn, Valérie Brenner, Eric Gloaguen, Michel Mons
Conformer-selective IR gas phase spectroscopy and high level quantum chemistry methods have been used to characterise the diversity of local NH-π interactions between the π ring of a phenylalanine aromatic residue and the nearby main chain amide groups. The study of model systems shows how the amide NH stretch vibrational features, in the 3410-3460 cm(-1) frequency range, can be used to monitor the strength of these local π H-bonds, which is found to depend on both the backbone conformation and the aromatic side chain orientation...
October 20, 2016: Physical Chemistry Chemical Physics: PCCP
(no author information available yet)
This corrects the article DOI: 10.20960/nh.308.
October 11, 2016: Nutrición Hospitalaria: Organo Oficial de la Sociedad Española de Nutrición Parenteral y Enteral
Yunxi Yao, Konstantinos P Giapis
For over 90 years, nitroxyl (HNO) has been postulated to be an important reaction intermediate in the catalytic oxidation of ammonia to NO and its by-products (N2, N2O), but never proven to form or exist on catalytic surfaces. Here we show evidence from reactive ion beam experiments that HNO can form directly on the surface of polycrystalline Pt exposed to NH3via Eley-Rideal abstraction reactions of adsorbed NH by energetic O(+) and O2(+) projectiles. The dynamic formation of HNO in a single collision followed up by prompt rebound from the surface prevents subsequent reactive interactions with other surface adsorbates and enables its detection...
October 19, 2016: Physical Chemistry Chemical Physics: PCCP
Abhijit Mal, Masthanvali Sayyad, Imtiyaz Ahmad Wani, Manas K Ghorai
A highly enantioselective synthetic route to hexahydropyrrolo[2,3-b]indoles via Lewis acid-catalyzed SN2-type ring opening of activated aziridines with indoles having substitutions at 3- and other positions followed by cyclization in a domino fashion has been developed. Hexahydropyrrolo[2,3-b]indoles have been detosylated in the same pot to afford the corresponding products with free NH group in excellent yields (up to 95%) and enantioselectivity (up to >99%).
October 19, 2016: Journal of Organic Chemistry
Mohnish Pandey, Karsten W Jacobsen, Kristian S Thygesen
Organic-inorganic halide perovskites have proven highly successful for photovoltaics, but suffer from low stability which deteriorates their performance over time. Recent experiments have demonstrated that low dimensional phases of the hybrid perovskites may exhibit improved stability, and facile routes to synthesise these compounds have also been explored. Here we report first-principles calculations of the electronic structure of the two-dimensional (2D) organometallic halide perovskites (C$_4$H$_9$NH$_3$)$_2$MX$_2$Y$_2$ where M=Pb, Ge, Sn and X,Y=Cl, Br, I...
October 19, 2016: Journal of Physical Chemistry Letters
Yoko Kojima, Koji Okudela, Mai Matsumura, Takahiro Omori, Tomohisa Baba, Akimasa Sekine, Tetsukan Woo, Shigeaki Umeda, Tamiko Takemura, Hideaki Mitsui, Takehisa Suzuki, Yoko Tateishi, Tae Iwasawa, Hiromasa Arai, Michihiko Tajiri, Takashi Ogura, Yoichi Kameda, Munetaka Masuda, Kenich Ohashi
AIMS: To investigate the pathological features of idiopathic interstitial pneumonia (IIP) - associated pulmonary adenocarcinoma. METHODS: Surgically resected adenocarcinomas associated with IIP (the IIP group) and adenocarcinomas without IIP (the non-IIP group) were subjected. We here further focused on adenocarcinomas that developed in the honeycomb lesions. Adenocarcinomas in the IIP group were subdivided into two groups, one group included tumors connected to bronchiolar metaplasia in honeycomb lesions (the H-IIP group) and the other included tumors unrelated to honeycomb lesions (the NH-IIP group)...
October 19, 2016: Histopathology
John S Nemer, Gavriel D Kohlberg, Dean M Mancuso, Brianna M Griffin, Michael V Certo, Stephanie Y Chen, Michael B Chun, Jaclyn B Spitzer, Anil K Lalwani
OBJECTIVE: Cochlear implantation is associated with poor music perception and enjoyment. Reducing music complexity has been shown to enhance music enjoyment in cochlear implant (CI) recipients. In this study, we assess the impact of harmonic series reduction on music enjoyment. STUDY DESIGN: Prospective analysis of music enjoyment in normal-hearing (NH) individuals and CI recipients. SETTING: Single tertiary academic medical center. PATIENTS: NH adults (N = 20) and CI users (N = 8) rated the Happy Birthday song on three validated enjoyment modalities-musicality, pleasantness, and naturalness...
October 12, 2016: Otology & Neurotology
Zengwu Wang, Zuo Chen, Xin Wang, Guang Hao, Liyuan Ma, Xin Zhao, Yang Li, Manlu Zhu
OBJECTIVE: To compared blood pressure (BP) lowing effects of nitrendipine and hydrochlorothiazide (NH) and nitrendipine plus metoprolol (NM), and estimated the economic effect of these therapies on hypertension. DESIGN AND METHOD: This is a randomized, open-label, prospective clinical trial, outpatients (N = 793) 18-70 years-of-age with stage 2 or severe hypertension (systolic BP ≥ 160 mmHg and/or diastolic BP ≥ 100 mmHg) were recruited from 4 rural community health centers in Beijing and Jilin...
September 2016: Journal of Hypertension
Wesam Saleh A Al Attar, Najeebullah Soomro, Peter J Sinclair, Evangelos Pappas, Ross H Sanders
BACKGROUND: Hamstring injuries are among the most common non-contact injuries in sports. The Nordic hamstring (NH) exercise has been shown to decrease risk by increasing eccentric hamstring strength. OBJECTIVE: The purpose of this systematic review and meta-analysis was to investigate the effectiveness of the injury prevention programs that included the NH exercise on reducing hamstring injury rates while factoring in athlete workload. METHODS: Two researchers independently searched for eligible studies using the following databases: the Cochrane Central Register of Controlled Trials via OvidSP, AMED (Allied and Complementary Medicine) via OvidSP, EMBASE, PubMed, MEDLINE, SPORTDiscus, Web of Science, CINAHL and AusSportMed, from inception to December 2015...
October 17, 2016: Sports Medicine
Grégoire P Millet, Franck Brocherie, Raphael Faiss, Olivier Girard
The authors report that many LHTL studies in normobaric hypoxia (NH) "failed to show a positive outcome", which in our view is only partially true. In a cross-over design, we (Saugy et al. 2016) recently tested if LHTL in hypobaric hypoxia (HH) would lead to larger performance enhancement than in NH. Our hypothesis was that HH (i.e. natural altitude) would lead to larger enhancement than NH but the results were contrary to this hypothesis. So we cannot support the affirmation by Lundby & Robach that "natural altitude remains the best approach"...
October 17, 2016: Experimental Physiology
Nikolaus E Wolter, Sharon L Cushing, Luis D Vilchez Madrigal, Adrian L James, Jennifer Campos, Blake C Papsin, Karen A Gordon
OBJECTIVE: To determine if children with unilateral sensorineural hearing loss (UHL) demonstrate impaired balance compared with their normal hearing (NH) peers. STUDY DESIGN: Prospective, case-control study. METHODS: Balance was assessed in14 UHL and 14 NH children using the Bruininks-Oseretsky Test-2 (BOT-2) and time to fall (TTF) in an immersive, virtual-reality laboratory. Postural control was quantified by center of pressure (COP) using force plates...
September 30, 2016: Otology & Neurotology
Dohyun Moon, Jong-Ha Choi
In the asymmetric unit of the title compound, [CrCl2(C10H24N4)][Cr(C2O4)(C10H24N4)](ClO4)2 (C10H24N4 = 1,4,8,11-tetra-aza-cyclo-tetra-decane, cyclam; C2O4 = oxalate, ox), there are two independent halves of the [CrCl2(cyclam)](+) and [Cr(ox)(cyclam)](+) cations, and one perchlorate anion. In the complex cations, which are completed by application of twofold rotation symmetry, the Cr(III) ions are coordinated by the four N atoms of a cyclam ligand, and by two chloride ions or one oxalate bidentate ligand in a cis arrangement, displaying an overall distorted octa-hedral coordination environment...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Gardiner von Trapp, Ishita Aloni, Stephen Young, Malcolm N Semple, Dan H Sanes
The consequences of developmental hearing loss have been reported to include both sensory and cognitive deficits. To investigate these issues in a non-human model, auditory learning and asymptotic psychometric performance were compared between normal hearing (NH) adult gerbils and those reared with conductive hearing loss (CHL). At postnatal day 10, before ear canal opening, gerbil pups underwent bilateral malleus removal to induce a permanent CHL. Both CHL and control animals were trained to approach a water spout upon presentation of a target (Go stimuli), and withhold for foils (Nogo stimuli)...
October 13, 2016: Hearing Research
Melanie Streicher, Michael Themessl-Huber, Karin Schindler, Cornel Christian Sieber, Michael Hiesmayr, Dorothee Volkert
OBJECTIVES: Malnutrition in older persons is associated with an increased risk of mortality. Useful strategies to counteract malnutrition are nutritional interventions, such as fortified diets, oral nutritional supplements (ONS), tube feeding, and parenteral nutrition. Presently, it is not known if these strategies can reduce mortality risk of nursing home (NH) residents who are malnourished or at risk of malnutrition. Thus, the aim of this study was to investigate if nutritional intake and interventions are associated with mortality in this specific population...
October 11, 2016: Journal of the American Medical Directors Association
Aaron W Tang, Xianqi Kong, Victor Terskikh, Gang Wu
We report preparation, trapping, and solid-state 17O NMR characterization of three unstable acyl-enzyme intermediates (≈ 26 kDa): p-N,N-dimethylamino-[17O]benzoyl-chymotrypsin, trans-o-methoxy-[17O]cinnamoyl-chymotrypsin, and trans-p-methoxy-[17O]cinnamoyl-chymotrypsin. We show that both the 17O chemical shifts and nuclear quadrupolar parameters obtained for these acyl-enzyme intermediates in the solid state are correlated with their deacylation rate constants measured in aqueous solution. With the aid of quantum mechanical calculations, the experimental 17O NMR parameters were interpreted as to reflect the hydrogen bonding interactions between the carbonyl (C=17O) functional group of the acyl moiety and the two NH groups from the protein backbone (Ser195 and Gly193) in the oxyanion hole, a general feature of all serine proteases...
October 12, 2016: Journal of Physical Chemistry. B
Mo Chen, Zhaoyan Wang, Zhiwen Zhang, Xun Li, Weijing Wu, Dinghua Xie, Zi-An Xiao
OBJECTIVE: The present study aims to test whether deaf children with unilateral cochlear implantation (CI) have higher intelligence quotients (IQ). We also try to find out the predictive factors of intelligence development in deaf children with CI. METHODS: Totally, 186 children were enrolled into this study. They were divided into 3 groups: CI group (N = 66), hearing loss group (N = 54) and normal hearing group (N = 66). All children took the Hiskey-Nebraska Test of Learning Aptitude to assess the IQ...
November 2016: International Journal of Pediatric Otorhinolaryngology
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