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Dodziuk H - - 2012
Electronic absorption and magnetic circular dichroism were recorded for five cyclophanes with ethano bridges: [2.2]paracyclophane, (1,2,4)[2.2.2]cyclophane, (1,2,4;1,2,5)[2.2.2]cyclophane, (1,2,3,4,5,6)(1,2,3,4,5,6)cyclophane, and trans-[2.2]metacyclophane. Spectral and structural analyses were based on geometry optimization and calculations of transition energies, carried out using density functional theory methods. The assignments have been proposed for several electronic transitions ...
Roberts K - - 2012
We identify a set of multidimensional potential energy surfaces sufficiently complex to cause both the classical parallel tempering and the guided or unguided diffusion Monte Carlo methods to converge too inefficiently for practical applications. The mathematical model is constructed as a linear combination of decoupled Double Wells [(DDW)(n)]. We show ...
Gwak Geum-Youn GY Department of Medicine, Samsung Medical Center, Sugnkyunkwan University School of Medicine, 50 Irwon-Dong, Gangnam-Gu, 135-710 Seoul, South - - 2012
To examine how high-mobility group box 1 (HMGB1) regulates hepatocyte apoptosis and, furthermore, to determine whether glycyrrhizin (GL), a known HMGB1 inhibitor, prevents HMGB1-induced hepatocyte apoptosis. A human hepatocellular carcinoma cell line stably transfected with a bile acid transporter (Huh-BAT cells), were used in this study. Apoptosis was quantified using ...
Labet Vanessa - - 2012
A preliminary discussion of the general problem of localization of wave functions, and the way it is approached in theoretical condensed matter physics (Wannier functions) and theoretical chemistry (localized or fragment orbitals) is followed by an application of the ideas of Paper II in this series to the structures of ...
Gontrani Lorenzo - - 2012
The structural properties of liquid N-methyl pyrrolidone have been investigated by combining energy dispersive x-ray diffraction experiments and molecular dynamics simulations with generalized AMBER force field. A very good agreement between theoretical and experimental diffraction patterns was achieved. The analysis of the radial distribution functions shows that the methyl-carbonyl H-bond ...
Schlag John - - 2012
In single-units studies, neuronal signals are recorded to assess their significance and, hopefully, their role in controlling behavior. A new study of neuronal signals associated with eye position helps to explain not only how the system normally works, but also how it sometimes fails.
Li Wuxia - - 2012
We report that, to enable studies of their compositional, structural and electrical properties, freestanding individual nanoobjects can be selectively felled in a controllable way by the technique of low-current focused-ion-beam (FIB) milling with the ion beam at a chosen angle of incidence to the nanoobject. To demonstrate the suitability of ...
Chen Zhi-Zhi ZZ State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West China Medical School, Sichuan University, Chengdu 610041, Sichuan Province, - - 2012
To evaluate the hepatoprotective roles of (Z)-5-(4-methoxybenzylidene)thiazolidine-2,4-dione (SKLB010) against carbon tetrachloride (CCl₄)-induced acute and chronic liver injury and its underlying mechanisms of action. In the first experiment, rats were weighed and randomly divided into 5 groups (five rats in each group) to assess the protective effect of SKLB010 on acute ...
Price Tom A - - 2012
Males usually do not provide parental care and with good reason, they may be caring for the offspring of someone else. But there are cases of male-only care even when certainty of paternity is low: why? A new model suggests female choice may provide the answer.
Labet Vanessa - - 2012
In the first of a series of four papers on hydrogen under pressure, and its transitions from an initiating molecular state, we begin by defining carefully the problem, and setting the distance scale of interactions of protons and electrons in molecular aggregates of the first of the elements. Following a ...
de Wijn Astrid S - - 2012
New expressions for the viscosity of liquid mixtures, consisting of chain-like molecules, are derived by means of Enskog-type analysis. The molecules of the fluid are modelled as chains of equally sized, tangentially joined, and rigid spheres. It is assumed that the collision dynamics in such a fluid can be approximated ...
Petit Andrew S - - 2012
A thorough examination of the use of fixed-node diffusion Monte Carlo for the study of rotation-vibration mixing in systems that undergo large amplitude vibrational motions is reported. Using H(3) (+) as a model system, the overall accuracy of the method is tested by comparing the results of these calculations with ...
Kolev Vesselin - - 2012
The goal of the present work is to study theoretically the structure of water inside the water cylinder of the inverse hexagonal mesophase (H(II)) of glyceryl monooleate (monoolein, GMO), using the method of molecular dynamics. To simplify the computational model, a fixed structure of the GMO tube is maintained. The ...
Fries Pascal H - - 2012
In a reference frame rigidly bound to the complex, we consider two Hamiltonians possibly at the origin of the very fast electronic relaxation of the paramagnetic lanthanide Ln(3+) ions (Ln = Ce to Nd, Tb to Yb), namely the mean (static) ligand-field Hamiltonian and the transient ligand-field Hamiltonian. In the ...
Rao F B - - 2012
With their sub-nanometer inter-sheet spacing, few-layer graphenes (FLGs) are alignment-free building blocks for nanosensors based on the inter-sheet effects. In this paper, we have tackled the challenges towards batch fabrication of inter-sheet graphene sensors through controlled layer engineering, edge tailoring and selective electrode fabrication on different atomic layers. An oxygen ...
Chang Joyce Wei Wei - - 2012
The scope and limitations of direct arylation of fluorinated aromatics with aryl sulfonates was examined. Pd(OAc)(2), in the presence of MePhos and KOAc in THF, efficiently catalyzed the direct arylation of fluoro aromatics with aryl triflates under ambient conditions. Sterically hindered triflates and heteroaryl triflates gave good to excellent yields ...
Labet Vanessa - - 2012
In this paper, we examine the transition from a molecular to monatomic solid in hydrogen over a wide pressure range. This is achieved by setting up two models in which a single parameter δ allows the evolution from a molecular structure to a monatomic one of high coordination. Both models ...
Temple S E - - 2012
For animals that can see it, the polarisation of light adds another dimension to vision, analogous to adding colour to a black and white image [1,2]. Whilst some animals use the orientation of the electric field vector (e-vector) for navigation and orientation [3], the ability to discriminate angular differences in ...
Shen Mingwu - - 2012
We report a facile approach to synthesizing 3-aminopropyltrimethoxysilane (APTS)-coated magnetic iron oxide (Fe(3)O(4)@APTS) nanoparticles (NPs) with tunable surface functional groups for potential biomedical applications. The Fe(3)O(4) NPs with a mean diameter of 6.5 nm were synthesized by a hydrothermal route in the presence of APTS. The formed amine-surfaced Fe(3)O(4)@APTS NPs were ...
Yepes Sally S Institute of Genetics, Universidad Nacional de Colombia, 14490 Bogotá DC, - - 2012
To assess the significance of chromosome translocation t(11;18)(q21;q21), B-cell lymphoma 10 (BCL-10) protein and Helicobacter pylori (H. pylori) infection in gastric mucosa-associated lymphoid tissue (MALT) lymphoma in Colombia. Fifty cases of gastric MALT lymphoma and their respective post-treatment follow-up biopsies were examined to assess the presence of the translocation t(11;18)(q21;q21) ...
Ng Khee Chaw - - 2012
Metallic nanoparticles that support surface plasmons are potential building units for future nanophotonic circuits, metamaterials, high-density optical data storage, etc. Many of these applications require the ability to 'dial-up' the desired plasmonic resonance modes and frequencies with high precision. Here, we demonstrate a thermal reshaping route that can be used ...
Li Jian J Laboratory of Carcinogenesis and Translational Research for the Ministry of National Education, Department of GI Oncology, Peking University School of Oncology, Beijing Cancer Hospital and Institute, Beijing 100142, - - 2012
To investigate the efficacy and safety of imatinib dose escalation in Chinese patients with advanced gastrointestinal stromal tumor (GIST). Advanced GIST patients previously failing 400 mg imatinib treatment were enrolled in this study. Patients received imatinib with dose escalation to 600 mg/d, and further dose escalation to 800 mg/d if ...
Gao Jiali - - 2012
A fragment-based variational many-body (VMB) expansion method is described to directly account for exchange repulsion, charge delocalization (charge transfer) and dispersion interactions in the explicit polarization (X-Pol) method. The present VMB/X-Pol approach differs from other fragment molecular orbital (FMO) techniques in two major aspects. First, the wave function for the ...
Yasaka Yoshiro - - 2012
The rotational dynamics of benzene and water in the ionic liquid (IL) 1-butyl-3-methylimidazolium chloride are studied using molecular dynamics (MD) simulation and NMR T(1) measurements. MD trajectories based on an effective potential are used to calculate the (2)H NMR relaxation time, T(1) via Fourier transform of the relevant rotational time ...
Zhang Xiang-Liang XL Department of Gastrointestinal Surgery, The Third Affiliated Hospital of Sun Yat-Sen University, Guangzhou 510630, Guangdong Province, - - 2012
To observe the synergistic effects of hyperthermia in oxaliplatin-induced cytotoxicity in human colon adenocarcinoma Lovo cells. The human colon adenocarcinoma cell line Lovo was obtained from Sun Yat-Sen University. Cells were sealed with parafilm and placed in a circulating water bath, and was maintained within 0.01 °C of the desired temperature ...
Baidakov Vladimir G - - 2012
We present the results of molecular dynamics simulation of crystal nucleation in a supercooled Lennard-Jones liquid. Temperature and baric dependences of the nucleation rate, the Zeldovich factor, nucleus size diffusion coefficient, the radius, and the pressure in a critical crystal nucleus are defined in computer simulation. The data obtained have ...
Olmez Omer Fatih OF Department of Medical Oncology, Uludag University Medical School, Bursa 16059, - - 2012
To investigate prognostic factors of survival following curative, non-palliative surgical removal of lung metastases secondary to colorectal cancer (CRC). Between 1999 and 2009, a radical metastasectomy with curative intent was performed on lung metastases in 21 patients with CRC (15 male and 6 female; mean age: 57.4 ± 11.8 years; ...
Buyukdagli Sahin - - 2012
A charged Yukawa liquid confined in a slit nanopore is studied in order to understand excluded volume effects in the interaction force between the pore walls. A previously developed self-consistent scheme [S. Buyukdagli, C. V. Achim, and T. Ala-Nissila, J. Stat. Mech. 2011, P05033] and a new simpler variational procedure ...
Lin Andrew - - 2012
We investigate the transport properties in p-type GaAs nanopillars (NPs) grown on GaAs(111) B substrates using selective-area epitaxy by studying single-NP field-effect transistors. Experimental results indicate that normalized resistance and field-effect mobility are highly sensitive to NP dimensions. Both in situ and ex situ chemical surface passivation techniques are found to ...
Song Wei W State Key Laboratory of Cellular Stress Biology, School of Life Sciences, Xiamen University, Xiamen 361005, Fujian Province, - - 2012
To investigate the effects of ESC-3 isolated from crocodile bile on the growth and apoptosis induction of human cholangiocarcinoma cells. ESC-3 was isolated from crocodile bile by Sephadex LH-20 and RP-18 reversed-phase column. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide assay was conducted to determine the effects of ESC-3 on the proliferation of human ...
Willmer Pat - - 2012
Flowering plants could lose their pollination service if climate warming potentially uncouples timing of flowering from pollinator availability. Recent evidence might suggest this effect may be less than feared.
Li Fengyu - - 2012
Prompted by the very recent claim that the volleyball-shaped B(80) fullerene [X. Wang, Phys. Rev. B 82, 153409 (2010)] is lower in energy than the B(80) buckyball [N. G. Szwacki, A. Sadrzadeh, and B. I. Yakobson, Phys. Rev. Lett. 98, 166804 (2007)] and core-shell structure [J. Zhao, L. Wang, F. ...
Luo Xuelian - - 2012
The spindle checkpoint forms an intricate signaling circuit to sense unattached kinetochores, to inhibit the anaphase-promoting complex/cyclosome (APC/C), and to delay anaphase onset. Using clever genetic experiments in the budding yeast, Lau and Murray define the endpoint of checkpoint signaling and provide key mechanistic insights into checkpoint inhibition of APC/C.
Zou Zhixiang - - 2012
In this study, we apply a self-consistent field theory of polymers to study the structures of a symmetric diblock copolymer in parallel substrates filled with square-pillar arrays in which the substrates and pillars exhibit a weak preference for one block of the copolymer. Three classes of structures, i.e., lamellae, perpendicular ...
He Wei W Department of Oncology, the First Affiliated Hospital of Zhengzhou University, Zhengzhou 450052, Henan Province, - - 2012
To explore the expression pattern of OCT4 in human esophageal squamous cell carcinoma and its significance in diagnosis and prognosis. Using real-time polymerase chain reaction (PCR), Western blotting, immunocytochemistry and immunohistochemistry, the expression of OCT4 in three esophageal squamous cancer cell lines, KYSE70, KYSE140 and KYSE450, was characterized. OCT4 expression ...
Stoll Hermann - - 2012
Finite-cluster calculations employing high-level wavefunction-based ab initio methods and extended atomic-orbital basis sets are used to determine local energy increments for bulk LiH. It is shown that these increments can be converged with respect to cluster size and point-charge embedding so as to yield bulk cohesive energies with an accuracy ...
Cohen Kadosh Roi R Department of Experimental Psychology, University of Oxford, Oxford, - - 2012
Transcranial direct current stimulation (TDCS) is a brain stimulation tool that is portable, painless, inexpensive, apparently safe, and with potential long-term efficacy. Recent results obtained from TDCS experiments offer exciting possibilities for the enhancement and treatment of normal or impaired abilities, respectively. We discuss new neuroethical problems that have emerged ...
Miller Ryan L - - 2012
A common feature in computations of chemical and physical properties is the investigation of phenomena at different levels of computational accuracy. Less accurate computations are used to provide a relatively quick understanding of the behavior of a system and allow a researcher to focus on regions of initial conditions and ...
Greenberg Barry - - 2012
Acute decompensated heart failure (ADHF) is a major public health problem throughout the world and its importance is continuing to grow. This article reviews the epidemiology of ADHF and the profile of patients suffering from this condition. It describes factors used in assessing prognosis and presents treatment options. Although no ...
Winterstein Tova-Band - - 2012
Purpose: Nurses are on the front line in encounters with elder neglect. In spite of their significant role, they are not always aware of this. The purpose of this paper was to understand the meanings that nurses ascribe to elder neglect through their perceptions and professional experience with older people ...
Maecker Holden T - - 2012
The heterogeneity in the healthy human immune system, and the immunological changes that portend various diseases, have been only partially described. Their comprehensive elucidation has been termed the 'Human Immunology Project'. The accurate measurement of variations in the human immune system requires precise and standardized assays to distinguish true biological ...
Franck Linda S - - 2012
Background: New findings are emerging about parental perceptions and desires for involvement in infant pain management in the neonatal intensive care unit (NICU) setting, and the importance of building greater knowledge about this aspect of the patient care is beginning to be appreciated. Objectives: The study had two aims: (a) ...
Chow Kin-Hoe - - 2012
Because of the association between aberrant nuclear structure and tumour grade, nuclear morphology is an indispensible criterion in the current pathological assessment of cancer. Components of the nuclear envelope environment have central roles in many aspects of cell function that affect tumour development and progression. As the roles of the ...
Berry Peggy A PA College of Nursing, University of Cincinnati, Cincinnati, OH 45221–0038, USA. - - 2012
To determine the prevalence and effects of workplace bullying (WPB) on the work productivity of novice nurses (NNs). Internet-based descriptive cross-sectional survey design. One hundred ninety seven NNs (91.4% female, 8.6% male) in practice less than 2 years completed the Healthcare Productivity Survey, Negative Acts Questionnaire, and a demographic survey. ...
Othman Areej K - - 2012
The purpose of this study was to determine the influence of demographic characteristics, breast cancer knowledge, fatalistic beliefs, health beliefs, and subjective norms on Jordanian women's intention to participate in mammography screening. A cross-sectional survey was used to collect data at 14 comprehensive healthcare centers in Amman and Zarqa, Jordan. ...
Calandra-Buonaura Giovanna - - 2012
This study describes changes in heart rate (HR) and HR variability (HRV) related to clinical onset of seizures in nocturnal frontal lobe epilepsy (NFLE) in order to determine whether signs of autonomic activation precede onset of seizure motor manifestations, which was selected as seizure onset (SO). Further, to clarify the ...
Silverstein Daniel W - - 2012
A vibronic coupling model based on time-dependent wavepacket approach is applied to simulate linear optical processes, such as one-photon absorbance and resonance Raman scattering, and nonlinear optical processes, such as two-photon absorbance and resonance hyper-Raman scattering, on a series of small molecules. Simulations employing both the long-range corrected approach in ...
Dai Yi-Chen YC Department of Gastroenterology, Chenggong Hospital, Xiamen University, Xiamen 361003, Fujian Province, China. - - 2012
To screen the differential expressed genes in colorectal cancer and polyp tissue samples. Tissue specimens containing 16 cases of colorectal adenocarcinoma and colorectal polyp vs normal mucosae were collected and subjected to cDNA microarray and bioinformatical analyses. Quantitative reverse transcription-polymerase chain reaction (qRT-PCR) was used to confirm some of the ...
Terada Tadashi - - 2012
Schneiderian papilloma (SP) is classified into three types: inverted, oncocytic, and exophytic. Malignant transformation occurs in 10% of SP; most are inverted and oncocytic types. Malignant transformation of polypoid exophytic SP is exceptional; only two cases have been reported in the English literature. A 58-year-old man consulted our hospital because ...
Gaiduk Alex P - - 2012
The common way to obtain energies from Kohn-Sham exchange potentials is by using the Levy-Perdew virial relation. For potentials that are not functional derivatives (i.e., nearly all model exchange potentials in existence), this approach leads to energy expressions that lack translational and rotational invariance. We propose a method for constructing ...
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