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Xunzhi Li, Wenchuan Ma, Alexander A Shestopalov
This study describes formation of functional organic monolayers on hard and soft interfaces via a vapor-phase carbene insertion into Si-H and C-H bonds. We demonstrate that functional diazirine molecules can be used to form mono-molecular coatings on silicon, silicon nitride and urethane-acrylate polymers under mild vacuum conditions and exposure to UV light. We investigate the molecular coverage and the long-term stability of the resulting monolayers in air, isopropanol and water. Our results suggest that vapor-phase carbenylation can be used as a complementary technology to the traditional self-assembly, permitting functionalization of various passivated substrates with stable and functional molecular coatings under mild and scalable conditions...
October 19, 2016: Langmuir: the ACS Journal of Surfaces and Colloids
Stephan Ingmar Brückner, Sergii Donets, Arezoo Dianat, Manfred Bobeth, Rafael Gutierrez, Gianaurelio Cuniberti, Eike Brunner
Understanding the molecular interactions between inorganic phases such as silica and organic material is fundamental for chromatographic applications, for tailoring silica-enzyme interactions, and for elucidating the mechanisms of biomineralization. The formation, structure, and properties of the organic/inorganic interface is crucial in this context. Here, we investigate the interaction of selectively (13)C-labeled choline with (29)Si-labeled monosilicic acid/silica at the molecular level. Silica/choline nanocomposites were analyzed by solid-state NMR spectroscopy in combination with extended molecular dynamics (MD) simulations to understand the silica/organic interface...
October 19, 2016: Langmuir: the ACS Journal of Surfaces and Colloids
Donato Belmonte, Carlo Gatti, Giulio Armando Ottonello, Pascal Richet, Marino Vetuschi Zuccolini
Thermodynamic and thermophysical properties of Na2SiO3 in the Cmc21 structural state are computed ab-initio using the hybrid B3LYP density functional method. The static properties at the athermal limit are first evaluated through a symmetry-preserving relaxation procedure. The thermodynamic properties that depend on vibrational frequencies viz, heat capacities, thermal expansion, thermal derivative of the bulk modulus, thermal correction to internal energy, enthalpy, Gibbs free energy, are then computed in the framework of quasi-harmonic approximation...
October 19, 2016: Journal of Physical Chemistry. A
Tao Jiang, Menghua Wang, Li Li, Jinguang Si, Bo Song, Cao Zhou, Meng Yu, Xuewei Wang, Yonggang Zhang, Gang Ding, Zhongmei Zou
Overexpression of laeA in Chaetomium globosum CBS148.51 up-regulated expression of the chaetoglobosin gene cluster and resulted in the isolation of a new cytochalasan, chaetoglobosin Z (1), together with six known analogues, chaetoglobosins A (2), B (3), D (4), E (5), O (6), and V (7). RT-PCR analysis confirmed that the key genes in the chaetoglobosin gene cluster were significantly up-regulated. The structure of the new compound chaetoglobosin Z (1) was elucidated using NMR data. The relative and absolute configurations were determined by NOESY and electronic circular dichroism combined with quantum-chemical calculations adopting time-dependent density functional theory methods, respectively...
October 19, 2016: Journal of Natural Products
Sadegh Salehzadeh, Farahnaz Maleki
In this work, a new equation consist of A⋅⋅⋅B, B⋅⋅⋅C, A⋅⋅⋅BC, and AB⋅⋅⋅C interactions is proposed for calculating the total interaction energy of noncyclic ABC triads. New equations are also proposed for calculating the changes in values of A⋅⋅⋅B and B⋅⋅⋅C interactions on the formation of triad from the corresponding dyads. The advantages of equations proposed here in comparison with many-body interaction energy approach are discussed. All proposed equations were tested in F3 MLi⋅⋅⋅NCH⋅⋅⋅HLH and F3 MLi⋅⋅⋅HLH⋅⋅⋅HCN (M = C, Si; L = Be, Mg) as well as H3 N⋅⋅⋅XY⋅⋅⋅HF (X, Y = F, Cl, Br) noncyclic A⋅⋅⋅B⋅⋅⋅C triads...
October 18, 2016: Journal of Computational Chemistry
Chrispin Mandiwa, Li-Jun Shen, Yao-Hua Tian, Lu-Lu Song, Gui-Qiang Xu, Si-Yi Yang, Yuan Liang, Jing Yuan, You-Jie Wang
Little is known about the association between parity and the risk of ovarian cysts. The aim of this study was to examine the association between parity and the risk of ovarian cysts among a population of Chinese women. A total of 20 502 women aged 45-86 years from the Dongfeng-Tongji Cohort study completed baseline questionnaires, medical examination and provided baseline blood samples. Participants were categorized into four groups according to parity (one, two, three, and four or more live births). Logistic regression models were used to investigate the association between parity and the risk of ovarian cysts...
October 2016: Journal of Huazhong University of Science and Technology. Medical Sciences
Panca Dewi Pamungkasari, Yukitoshi Sanada
Time domain cyclic-selective mapping (TDC-SLM) reduces the peak-to-average power ratio (PAPR) in OFDM systems while the amounts of cyclic shifts are required to recover the transmitted signal in a receiver. One of the critical issues of the SLM scheme is sending the side information (SI) which reduces the throughputs in wireless OFDM systems. The proposed scheme implements delayed correlation and matched filtering (DC-MF) to estimate the amounts of the cyclic shifts in the receiver. In the proposed scheme, the DC-MF is placed after the frequency domain equalization (FDE) to improve the accuracy of cyclic shift estimation...
2016: International Scholarly Research Notices
Y Dong, M Zhou, X J Ba, J W Si, W T Li, Y Wang, D Li, T Li
OBJECTIVE: To determine the clinicopathological significance of the DNA methyltransferase 3B (DNMT3B) overexpression in endometrial carcinomas and to evaluate its correlation with hormone receptor status. METHODS: Immunohistochemistry was performed to assess the expression of DNMT3B and hormone receptors in 104 endometrial carcinomas. RESULTS: DNMT3B overexpression occurred frequently in endometrioid carcinoma (EC, 54.8%) more than in nonendometrioid carcinoma (NEC, 30...
October 18, 2016: Beijing da Xue Xue Bao. Yi Xue Ban, Journal of Peking University. Health Sciences
Jinling Liu, Yiguang Wang, Linan An
Silica is the most abundant mineral in the crust of the Earth. It has been demonstrated that the aluminum concentration in silica plays a key role in determining many properties of silica-based components. Although the alumina-silica system has been intensely studied, the effect of very small amounts of aluminum on the structure and properties of silica remains unclear. We report results of first principles calculations showing that small amounts of aluminum could be metastable when located in the center of Si-O rings without breaking the silica network...
October 18, 2016: Scientific Reports
Jangsun Hwang, Mintai P Hwang, Moonhyun Choi, Youngmin Seo, Yeonho Jo, Jaewoo Son, Jinkee Hong, Jonghoon Choi
Heavy metal pollution has been a problem since the advent of modern transportation, which despite efforts to curb emissions, continues to play a critical role in environmental pollution. Copper ions (Cu(2+)), in particular, are one of the more prevalent metals that have widespread detrimental ramifications. From this perspective, a simple and inexpensive method of detecting Cu(2+) at the micromolar level would be highly desirable. In this study, we use porous silicon nanoparticles (NPs), obtained via anodic etching of Si wafers, as a basis for undecylenic acid (UDA)- or acrylic acid (AA)-mediated hydrosilylation...
October 18, 2016: Scientific Reports
Hui Bai, Bing Bai, Lin Zhang, Wei Huang, Yue-Wen Mu, Hua-Jin Zhai, Si-Dian Li
The recent discovery of borospherene B40 marks the onset of a new kind of boron-based nanostructures akin to the C60 buckyball, offering opportunities to explore materials applications of nanoboron. Here we report on the feasibility of Li-decorated B40 for hydrogen storage using the DFT calculations. The B40 cluster has an overall shape of cube-like cage with six hexagonal and heptagonal holes and eight close-packing B6 triangles. Our computational data show that Lim&B40(1-3) complexes bound up to three H2 molecules per Li site with an adsorption energy (AE) of 0...
October 18, 2016: Scientific Reports
Qiufang Gong, Yu Wang, Qi Hu, Jigang Zhou, Renfei Feng, Paul N Duchesne, Peng Zhang, Fengjiao Chen, Na Han, Yafei Li, Chuanhong Jin, Yanguang Li, Shuit-Tong Lee
Earlier research has been primarily focused on WC as one of the most promising earth-abundant electrocatalysts for hydrogen evolution reaction (HER), whereas the other compound in this carbide family-W2C-has received far less attention. Our theoretical calculations suggest that such a focus is misplaced and W2C is potentially more HER-active than WC. Nevertheless, the preparation of phase pure and sintering-free W2C nanostructures represents a formidable challenge. Here we develop an improved carburization method and successfully prepare ultrasmall and phase-pure W2C nanoparticles...
October 18, 2016: Nature Communications
Kathleen M McCreary, Aubrey T Hanbicki, Simranjeet Singh, Roland K Kawakami, Glenn G Jernigan, Masa Ishigami, Amy Ng, Todd H Brintlinger, Rhonda M Stroud, Berend T Jonker
We report on preparation dependent properties observed in monolayer WS2 samples synthesized via chemical vapor deposition (CVD) on a variety of common substrates (Si/SiO2, sapphire, fused silica) as well as samples that were transferred from the growth substrate onto a new substrate. The as-grown CVD materials (as-WS2) exhibit distinctly different optical properties than transferred WS2 (x-WS2). In the case of CVD growth on Si/SiO2, following transfer to fresh Si/SiO2 there is a ~50 meV shift of the ground state exciton to higher emission energy in both photoluminescence emission and optical reflection...
October 18, 2016: Scientific Reports
Jing-Woei Li, Heung-Man Lee, Ying Wang, Amy Hin-Yan Tong, Kevin Y Yip, Stephen Kwok-Wing Tsui, Si Lok, Risa Ozaki, Andrea O Luk, Alice P S Kong, Wing-Yee So, Ronald C W Ma, Juliana C N Chan, Ting-Fung Chan
Protein interactions play significant roles in complex diseases. We analyzed peripheral blood mononuclear cells (PBMC) transcriptome using a multi-method strategy. We constructed a tissue-specific interactome (T2Di) and identified 420 molecular signatures associated with T2D-related comorbidity and symptoms, mainly implicated in inflammation, adipogenesis, protein phosphorylation and hormonal secretion. Apart from explaining the residual associations within the DIAbetes Genetics Replication And Meta-analysis (DIAGRAM) study, the T2Di signatures were enriched in pathogenic cell type-specific regulatory elements related to fetal development, immunity and expression quantitative trait loci (eQTL)...
October 18, 2016: Scientific Reports
Ming-Sing Si
No abstract text is available yet for this article.
September 24, 2016: Journal of Thoracic and Cardiovascular Surgery
Simon Schimmack, Ben Lawrence, Barton Kenney, Hubertus Schmitz-Winnenthal, Irvin M Modlin, Mark Kidd
BACKGROUND: Small intestinal neuroendocrine neoplasm (SI-NEN) proliferation is quantified by Ki67 measurements which capture G1-G2M phases of the cell cycle. G0 and early G1 phases, typical of slow-growing cells, can be detected by minichromosome maintenance protein (MCM) expression. We hypothesized that these replication licensing markers may provide clinically relevant information to augment Ki67 in low-grade neuroendocrine neoplasia. METHODS: Immunohistochemical staining (IHC), Western blot analysis, quantitative polymerase chain reaction, and copy number variations of MCM2, MCM3, and Ki67 were undertaken in SI-NENs (n = 22)...
October 2016: Translational Oncology
Rong-Wei Si, Yuan Yang, Yangyang Yu, Song Han, Chun-Lian Zhang, De-Zhen Sun, Dan-Dan Zhai, Xiang Liu, Yang-Chun Yong
A whole-cell bioelectrochemical biosensing system for amperometric detection of riboflavin was developed. A "bioelectrochemical wire" (BW) consists of riboflavin and cytochrome C between S. oneidensis MR-1 and electrode was characterized. Typically, strong electrochemical response was observed when riboflavin was added to reinforce this BW. Impressively, the electrochemical response of riboflavin with this BW was over 200 times higher than that without bacteria. Uniquely, this electron rewiring process enabled the development of a biosensing system for amperometric detection of riboflavin...
October 18, 2016: Analytical Chemistry
Akkaladevi Venkatesham, Milind Saudi, Suzanne Kaptein, Johan Neyts, Jef Rozenski, Mathy Froeyen, Arthur Van Aerschot
Previous efforts led to dicarboxamide derivatives like 1.3, comprising either an imidazole, pyrazine or fenyl ring as the central scaffold, with many congeners displaying strong inhibitory effects against dengue virus (DENV) in cell-based assays. Following up on some literature reports, the rationale was borne out to preserve the pending groups, now attached to either a 2,6-diaminopurine or 2,4-diaminoquinazoline scaffold. Synthetic efforts turned out less straightforward than expected, but yielded some new derivatives with low micromolar anti-DENV activity, albeit not devoid of cellular toxicity...
October 5, 2016: European Journal of Medicinal Chemistry
S Greiser, M Hunger, C Jäger
(29)Si{(27)Al} TRAPDOR MAS NMR was applied to two faujasite-type zeolites with Si/Al ratios of 1.3 (Na-X) and 2.7 (Na-Y). The aim of this test study is to show that different Q(4)(mAl) sites (m =4, 3, 2, 1) can be distinguished by differently strong TRAPDOR effects (ΔS/S0). Indeed, it was found that the TRAPDOR effect depends on the number m of AlO4 units connected to the Q(4) silicon tetrahedrons. For Na-X, the measured ΔS/S0 values are 1 : 0.81 : 0.56 for Q(4)(4Al), Q(4)(3Al) and Q(4)(2Al), respectively (normalized to Q(4)(4Al))...
October 8, 2016: Solid State Nuclear Magnetic Resonance
Ferdi Hizal, Chang-Hwan Choi, Henk J Busscher, Henny C Van der Mei
Nanostructured surfaces are extensively considered with respect to their potential impact on bacterial adhesion from aqueous suspensions or air, but in real-life bacteria are often transmitted between surfaces. Mechanistically, transmission involves detachment of adhering bacteria from a donor and adhesion to a receiver surface, controlled by the relative values of the adhesion forces exerted by both surfaces. We here relate staphylococcal adhesion, detachment and transmission to, from, and between smooth and nanopillared-Si surfaces with staphylococcal adhesion forces...
October 17, 2016: ACS Applied Materials & Interfaces
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