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Results 451 - 500 of 1208
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Wang Lecheng - - 2013
A six-dimensional ab initio potential energy surface (PES) for H2-N2O which explicitly includes the symmetric and asymmetric vibrational coordinates Q1 and Q3 of N2O is calculated at the coupled-cluster singles and doubles with noniterative inclusion of connected triple level using an augmented correlation-consistent polarized-valence quadruple-zeta basis set together with midpoint ...
Katsaragakis Stylianos S 1(st) Department of Propaedeutic Surgery, Athens Medical School, Hippocratio Athens General Hospital, University of Athens, 11527 Attiki, - - 2013
To present a new technique of end-to-side, duct-to-mucosa pancreaticojejunostomy with seromuscular jejunal flap formation, and insertion of a silicone stent. We present an end-to-side, duct-to-mucosa pancreaticojejunostomy with seromuscular jejunal flap formation, and the insertion of a silicone stent. This technique was performed in thirty-two consecutive patients who underwent a pancreaticoduodenectomy ...
Seino Junji - - 2013
In order to perform practical electron correlation calculations, the local unitary transformation (LUT) scheme at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level [J. Seino and H. Nakai, J. Chem. Phys. 136, 244102 (2012); and ibid. 137, 144101 (2012)], which is based on the locality of relativistic effects, has been combined with ...
Aragones J L - - 2013
In this work, we describe a procedure to evaluate the free energy of molecular solids with the GROMACS molecular dynamics package. The free energy is calculated using the Einstein molecule method that can be regarded as a small modification of the Einstein crystal method. Here, the position and orientation of ...
Ye Min-Feng MF Department of Gastrointestinal Surgery, Shaoxing People's Hospital, Shaoxing Hospital of Zhejiang University, Shaoxing 312000, Zhejiang Province, China. - - 2013
Hepatoid adenocarcinoma of the stomach (HAS) is a rare form of gastric cancer that has unique clinicopathological features and an extremely poor prognosis. Here, we report on three patients with suspected gastric cancer who were referred to our hospital. Gastrointestinal fiberscopy on the three patients revealed two lesions in the ...
Denis-Alpizar Otoniel - - 2013
A four-dimensional potential energy surface representing the interaction between He and hydrogen cyanide (HCN) subjected to bending vibrational motion is presented. Ab initio calculations were carried out at the coupled-cluster level with single and double excitations and a perturbative treatment of triple excitations, using a quadruple-zeta basis set and mid-bond ...
Zhu Maximillian M Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United - - 2013
The aggregation of intrinsically disordered peptides and proteins is associated with a wide range of highly debilitating neurological and systemic disorders. In this work we explored the potential of a structure-based drug discovery procedure to target one such system, the soluble monomeric form of the Aβ42 peptide. We utilised for ...
Yuan H K - - 2013
Complementary to the recent experimental finding that the orbital magnetic moment is strongly quenched in small Fe clusters [M. Niemeyer, K. Hirsch, V. Zamudio-Bayer, A. Langenberg, M. Vogel, M. Kossick, C. Ebrecht, K. Egashira, A. Terasaki, T. Möller, B. v. Issendorff, and J. T. Lau, Phys. Rev. Lett. 108, 057201 ...
Lim Chul-Hyun CH Department of Internal Medicine, The Catholic University of Korea College of Medicine, Seoul 137-070, South - - 2013
To evaluate the effects of DA-9701 on the gastric emptying of a solid meal using the ¹³C-octanoic acid breath test in a mouse model. Male C57BL/6 mice aged > 8 wk and with body weights of 20-25 g were used in this study. The solid test meal consisted of 200 ...
Wiernicka Anna A Department of Gastroenterology, Hepatology and Malnutrition, the Children's Memorial Health Institute, 04-730 Warsaw, - - 2013
To investigate the side effects of a zinc sulphate therapy in a cohort of Polish pediatric patients with Wilson's disease. We retrospectively analyzed a cohort of 53 pediatric patients with Wilson's disease treated at the Children's Memorial Health Institute in Warsaw, Poland between the years 1996 and 2011 with zinc ...
Shih Orion - - 2013
The formation of like-charge guanidinium-guanidinium contact ion pairs in water is evidenced and characterized by X-ray absorption spectroscopy and first-principles spectral simulations based on molecular dynamics sampling. Observed concentration-induced nitrogen K-edge resonance shifts result from π∗ state mixing and the release of water molecules from each first solvation sphere as ...
Steele Scott R SR Department of Surgery, Madigan Army Medical Center, Madigan Health System, Tacoma, WA 98431, USA. - - 2013
Despite multiple efforts aimed at early detection through screening, colon cancer remains the third leading cause of cancer-related deaths in the United States, with an estimated 51000 deaths during 2013 alone. The goal remains to identify and remove benign neoplastic polyps prior to becoming invasive cancers. Polypoid lesions of the ...
Richardson Jeremy O - - 2013
A new method based on an extension of ring-polymer molecular dynamics is proposed for the calculation of thermal correlation functions in electronically nonadiabatic systems. The ring-polymer dynamics are performed using a continuous-variable representation of the electronic states within the mapping approach, such that the electronic and nuclear degrees of freedom ...
Evans Jonathan D JD The Liver Unit, The Queen Elizabeth Hospital, Edgbaston, Birmingham B15 2TH, United - - 2013
Development of oedema and hypoproteinaemia in a liver transplant recipient may be the first signs of graft dysfunction and should prompt a full assessment. We report the novel case of a patient who, years after liver transplantation developed a functional blind loop in an incisional hernia, which manifested as oedema ...
Ngai K L - - 2013
A current focus in studies of the glass transition is the role of dynamic heterogeneities. Although these efforts may clarify the origin of the spectacular change in properties of liquids approaching vitrification, we point out that a seemingly related phenomenon - thermorheological complexity in polymers - must involve different mechanisms. ...
Will Uwe U Department of Gastroenterology, Municipal Hospital, D-07548 Gera, Germany. - - 2013
To investigate the clinical value of endoscopic papillectomy indicated by feasibility and safety of the procedure in various diseases of the papilla in a representative number of patients in a setting of daily clinical and endoscopic practice and care by means of a systematic prospective observational study. Through a defined ...
Golschleger I U - - 2013
We present the moving picture of a molecular bond, in phase-space, in real-time, at resolution limited by quantum uncertainty. The images are tomographically reconstructed Wigner distribution functions (WDF) obtained from four-wave mixing measurements on Br2-doped ice. The WDF completely characterizes the dissipative quantum evolution of the system, which despite coupling ...
Phillies George D J - - 2013
The objective of this paper is to correct an error in analyses of quasielastic scattering spectra. The error invokes a valid calculation under conditions in which its primary assumptions are incorrect, which results in misleading interpretations of spectra. Quasielastic scattering from dilute probes yields the incoherent structure factor g((1s))(q, t) ...
Roy Susmita - - 2013
Experimental and simulation studies have uncovered at least two anomalous concentration regimes in water-dimethyl sulfoxide (DMSO) binary mixture whose precise origin has remained a subject of debate. In order to facilitate time domain experimental investigation of the dynamics of such binary mixtures, we explore strength or extent of influence of ...
Coskun Mehmet M Department of Gastroenterology, Medical Section, Herlev Hospital, University of Copenhagen, DK-2730 Herlev, Denmark. - - 2013
To use microarray-based miRNA profiling of colonic mucosal biopsies from patients with ulcerative colitis (UC), Crohn's disease (CD), and controls in order to identify new potential miRNA biomarkers in inflammatory bowel disease. Colonic mucosal pinch biopsies from the descending part were obtained endoscopically from patients with active UC or CD, ...
Thompson James O F - - 2013
Time-resolved photoelectron imaging was used to investigate the relaxation dynamics of electronically excited aniline in the gas-phase following ultraviolet irradiation in the 273-266 nm region. We find that at all wavelengths studied, excitation is predominantly to the long-lived (>1 ns) S1(ππ(∗)) state, which exhibits ultrafast intramolecular vibrational redistribution on a ...
Lei Jian-Yong JY Liver Transplantation Center, West China Hospital of Sichuan University, Chengdu 610041, Sichuan Province, - - 2013
Our study aimed to compare the results of liver transplantation (LT) and liver resection (LR) in patients with hepatocellular carcinoma (HCC) that met the Milan criteria after successful downstaging therapy. From February 2004 to August 2010, a consecutive series of 102 patients were diagnosed with advanced-stage HCC that met the ...
Sirjoosingh Andrew - - 2013
The nuclear-electronic orbital (NEO) method treats electrons and select nuclei quantum mechanically on the same level to extend beyond the Born-Oppenheimer approximation. Electron-nucleus dynamical correlation has been found to be highly significant due to the attractive Coulomb interaction. The explicitly correlated Hartree-Fock (NEO-XCHF) approach includes explicit electron-nucleus correlation with Gaussian-type ...
Bettenworth Dominik D Department of Medicine B, University of Münster, D-48149 Münster, Germany. - - 2013
We report on a 24-year-old male patient with history of bloody diarrhea, abdominal pain and vomiting. Endoscopy revealed massive ulcerative discontinuous proctosigmoiditis with deep, sharply demarcated epithelial denudations and enterotoxigenic methicillin-resistant Staphylococcus aureus (MRSA) was detected in mucosal biopsies. After treatment with linezolide and steroids, a significant amelioration of colitis ...
Principi Mariabeatrice M Gastroenterology Unit, Department of Emergency and Organ Transplantation, University of Bari, 70124 Bari, - - 2013
To assess the safety and effect of the supplementation of a patented blend of dietary phytoestrogens and insoluble fibers on estrogen receptor (ER)-β and biological parameters in sporadic colonic adenomas. A randomized, double-blind placebo-controlled trial was performed. Patients scheduled to undergo surveillance colonoscopy for previous sporadic colonic adenomas were identified, ...
Lee Song Hi - - 2013
Transport and recombination of hydrogen and hydroxide ions along a hydrogen-bonded water wire are studied by molecular dynamics simulation using a dissociating model for water. The results are compared with a recent CP-MD study of neutralization in bulk water [A. Hassanali, M. K. Prakrash, H. Eshet, and M. Parrinello, Proc. ...
Fidder Herma H HH Department of Gastroenterology and Hepatology, University Medical Center Utrecht, 3508 GA Utrecht, The Netherlands. - - 2013
To investigate adherence rates in tumor necrosis factor-α (TNF-α)-inhibitors in Crohn's disease (CD) and rheumatoid arthritis (RA) by systematic review of medical literature. A structured search of PubMed between 2001 and 2011 was conducted to identify publications that assessed treatment with TNF-α inhibitors providing data about adherence in CD and ...
Xiao Yunlong - - 2013
The relativistic molecular Hamiltonian written in the body-fixed frame of reference is the basis for high-precision calculations of spectroscopic parameters involving nuclear vibrations and/or rotations. Such a Hamiltonian that describes electrons fully relativistically and nuclei quasi-relativistically is just developed for semi-rigid nonlinear molecules [Y. Xiao and W. Liu, J. Chem. ...
Harada Ryuhei - - 2013
Parallel Cascade Selection Molecular Dynamics (PaCS-MD) is proposed as a molecular simulation method to generate conformational transition pathway under the condition that a set of "reactant" and "product" structures is known a priori. In PaCS-MD, the cycle of short multiple independent molecular dynamics simulations and selection of the structures close ...
Ma Q - - 2013
Since it was developed in 1979, the Robert-Bonamy (RB) formalism has been widely used in calculating pressure broadened half-widths and induced shifts for many molecular systems. However, this formalism contains several approximations whose applicability has not been thoroughly justified. One of them is that lines of interest are well isolated. ...
Berezovska Ganna - - 2013
Recent advances in computational power and simulation programs finally delivered the first examples of reversible folding for small proteins with an all-atom description. But having at hand the atomistic details of the process did not lead to a straightforward interpretation of the mechanism. For the case of the Fip35 WW-domain ...
Hermes Matthew R - - 2013
Second-order many-body perturbation theories for anharmonic vibrational frequencies and zero-point energies of molecules are formulated, implemented, and tested. They solve the vibrational Dyson equation self-consistently by taking into account the frequency dependence of the Dyson self-energy in the diagonal approximation, which is expanded in a diagrammatic perturbation series up to ...
Watanabe Kazuhiro K Department of Gastroenterology and Hepatology, National Center for Global Health and Medicine, Tokyo 162-8655, - - 2013
To validate the usefulness of screening endoscopy findings for predicting Helicobacter pylori (H. pylori) infection status. H. pylori infection status was determined by histology, serology, and the urea breast test in 77 consecutive patients who underwent upper endoscopy. Based on the findings, patients were categorized as H. pylori-uninfected, -infected, or ...
Yamamoto Daigo D Department of Chemical Engineering and Materials Science, Doshisha University, Kyoto 610-0321, Japan. - - 2013
Most of the current studies on nano∕microscale motors to generate regular motion have adapted the strategy to fabricate a composite with different materials. In this paper, we report that a simple object solely made of platinum generates regular motion driven by a catalytic chemical reaction with hydrogen peroxide. Depending on ...
Hoy Erik P - - 2013
Low-rank spectral expansion and tensor hypercontraction are two promising techniques for reducing the size of the two-electron excitation tensor by factorizing it into products of smaller tensors. Both methods can potentially realize an O(r(4)) quantum chemistry method where r is the number of one-electron orbitals. We compare the two factorizations ...
Accary J-B - - 2013
We investigate the effect of the isomerization rate f on the microscopic mechanisms at the origin of the massive mass transport found in glass-formers doped with isomerizing azobenzene molecules that result in surface relief gratings formation. To this end we simulate the isomerization of dispersed probe molecules embedded into a ...
Freeman Hugh J - - 2013
A 72-year-old male with an early stage "node-negative" sigmoid colon cancer developed 2 separate "node-negative" early stage colon cancers during a subsequent colonoscopy surveillance regimen, the first in the descending colon 7 years later, and the second in the cecum almost 14 years after the first cancer was resected. After ...
Sirjoosingh Andrew - - 2013
In the application of the nuclear-electronic orbital (NEO) method to positronic systems, all electrons and the positron are treated quantum mechanically on the same level. Explicit electron-positron correlation can be included using Gaussian-type geminal functions within the variational self-consistent-field procedure. In this paper, we apply the recently developed reduced explicitly ...
Ikeura Tsukasa T Third Department of Internal Medicine, Kansai Medical University, Osaka 573-1191, Japan. - - 2013
Endoscopic retrograde cholangiopancreatography (ERCP) using a double-balloon enteroscope (DBE) in patients with bowel reconstruction due to a previous abdominal surgery is now widely accepted. In particular, a short DBE, which has a 2.8-mm working channel and 152-cm working length, is useful for ERCP because of its good rotational and straightening ...
Reisinger Kostan W - - 2013
The therapeutic potential of long-term ketotifen in irritable bowel syndrome and postoperative ileus is currently under investigation. Ambiguous results of prolonged postoperative ketotifen use on gastrointestinal passage have been found. The current data point at a hampered gastrointestinal transit after prolonged postoperative ketotifen use in a rodent ileus induction model. ...
Lao Ka Un KU Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, - - 2013
We recently introduced a low-cost quantum chemistry method for computing intermolecular interactions, combining a monomer-based self-consistent field calculation (the "explicit polarization" method, XPol) with pairwise-additive symmetry adapted perturbation theory (SAPT). The method uses Kohn-Sham (KS) orbitals in the SAPT formalism but replaces the SAPT dispersion and exchange-dispersion terms with empirical ...
Solano C J F - - 2013
The structure and dynamics of N-butyl-N-methyl pyrrolidinium(+) bis([tri]fluoro[methane]sulfonyl)imide(-) (PYR14 (+)-[T]FSI(-)) ionic liquids doped with Li(T)FSI are investigated by combining experimental measurements to molecular dynamics simulations. The polarizable force field calculations indicate that the lithium cations are coordinated by (T)FSI anion oxygens forming lithium adducts stabilized over a large temperature range ...
Li Fang - - 2013
Many older adults with dementia are hospitalized for diagnoses other than dementia. We aimed to determine the prevalence of comorbid dementia among hospitalized older adults and evaluate its effects on their hospital course. This retrospective case-control study reviewed the hospital records of all adults aged over 60 years admitted to one ...
Schudlo Larissa C - - 2013
Objective. Near-infrared spectroscopy (NIRS) is an optical imaging technique that has recently been considered for brain-computer interface (BCI) applications. To date, NIRS-BCI studies have primarily made use of temporal features of brain activity, derived from the time-course of optical signals measured from discrete locations, to differentiate mental states. However, functional ...
Nelson Peter T PT Sanders-Brown Center on Aging, University of Kentucky, Lexington, KY 40536, USA. - - 2013
Hippocampal sclerosis of aging (HS-Aging) is a causative factor in a large proportion of elderly dementia cases. The current definition of HS-Aging rests on pathologic criteria: neuronal loss and gliosis in the hippocampal formation that is out of proportion to AD-type pathology. HS-Aging is also strongly associated with TDP-43 pathology. ...
Lankelma Jan - - 2013
Previous models for predicting tumor cell growth are mostly based on measurements of total cell numbers. The purpose of this paper is to provide a new simple mathematical model for calculating tumor cell growth focusing on the fraction of cells that is clonogenic. The non-clonogenic cells are considered to be ...
Oñativia Jon J Department of Electrical and Electronic Engineering, Imperial College London, South Kensington, London SW7 2AZ, UK. - - 2013
Inferring the times of sequences of action potentials (APs) (spike trains) from neurophysiological data is a key problem in computational neuroscience. The detection of APs from two-photon imaging of calcium signals offers certain advantages over traditional electrophysiological approaches, as up to thousands of spatially and immunohistochemically defined neurons can be ...
Zhang Xu X Institute of Biomedical Engineering, University of Science and Technology of China, Hefei, People's Republic of - - 2013
This study investigates the effect of the involuntary motor activity of paretic-spastic muscles on the classification of surface electromyography (EMG) signals. Two data collection sessions were designed for 8 stroke subjects to voluntarily perform 11 functional movements using their affected forearm and hand at relatively slow and fast speeds. For ...
Goldenberg Georg - - 2013
In typical right-handed patients both apraxia and aphasia are caused by damage to the left hemisphere, which also controls the dominant right hand. In left-handed subjects the lateralities of language and of control of the dominant hand can dissociate. This permits disentangling the association of apraxia with aphasia from that ...
Guitchounts Grigori G Department of Biology, Boston University, 24 Cummington Mall, Boston, MA 02215, - - 2013
Chronic neural recording in behaving animals is an essential method for studies of neural circuit function. However, stable recordings from small, densely packed neurons remains challenging, particularly over time-scales relevant for learning. We describe an assembly method for a 16-channel electrode array consisting of carbon fibers (<5 µm diameter) individually ...
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