Conformational stability of calreticulin
DEFF Research Database (Denmark)
Jørgensen, C.S.; Trandum, C.; Larsen, N.
2005-01-01
The conformational stability of calreticulin was investigated. Apparent unfolding temperatures (T-m) increased from 31 degrees C at pH 5 to 51 degrees C at pH 9, but electrophoretic analysis revealed that calreticulin oligomerized instead of unfolding. Structural analyses showed that the single C......-terminal a-helix was of major importance to the conformational stability of calreticulin....
Conformational stability of calreticulin
DEFF Research Database (Denmark)
Jørgensen, Charlotte S; Trandum, Christa; Larsen, Nanna Brink
2005-01-01
The conformational stability of calreticulin was investigated. Apparent unfolding temperatures (Tm) increased from 31 degrees C at pH 5 to 51 degrees C at pH 9, but electrophoretic analysis revealed that calreticulin oligomerized instead of unfolding. Structural analyses showed that the single C......-terminal alpha-helix was of major importance to the conformational stability of calreticulin....
Salmon calcitonin: conformational changes and stabilizer effects
Directory of Open Access Journals (Sweden)
Shan-Yang Lin
2015-11-01
Full Text Available The therapeutic activity of peptides or protein drugs is highly dependent on their conformational structure. The protein structure is flexible and responds to external conditions, which may compromise the protein's native conformation and influence its physical and chemical stability. The physical and chemical stability of peptides or protein drugs are important characteristics of biopharmaceutical products. Calcitonin (CT is a polypeptide hormone that participates in diverse physiological functions in humans; therefore, it is a potentially useful protein for investigations of different aspects of pharmacology and drug delivery systems. Of the different types of CT available for clinical use, salmon CT (sCT is one of the most potent. In this review article, the commercially available sCT was selected as a suitable peptide candidate for the discussion of its stability and conformational changes in the aqueous and solid states using Fourier transform infrared (FTIR spectroscopic analysis under different external conditions, including pH, temperature, drying method, and added excipients. Particularly, excipients that have been optimized as stabilizers of sCT in aqueous solution and as lyophilized and spray-dried drug formulations are also discussed.
International Nuclear Information System (INIS)
Paul, Subhanker; Singh, Suneet
2015-01-01
The prime objective of the presented work is to develop a Nodalized Reduced Order Model (NROM) to carry linear stability analysis of flow instabilities in a two-phase flow system. The model is developed by dividing the single phase and two-phase region of a uniformly heated channel into N number of nodes followed by time dependent spatial linear approximations for single phase enthalpy and two-phase quality between the consecutive nodes. Moving boundary scheme has been adopted in the model, where all the node boundaries vary with time due to the variation of boiling boundary inside the heated channel. Using a state space approach, the instability thresholds are delineated by stability maps plotted in parameter planes of phase change number (N pch ) and subcooling number (N sub ). The prime feature of the present model is that, though the model equations are simpler due to presence of linear-linear approximations for single phase enthalpy and two-phase quality, yet the results are in good agreement with the existing models (Karve [33]; Dokhane [34]) where the model equations run for several pages and experimental data (Solberg [41]). Unlike the existing ROMs, different two-phase friction factor multiplier correlations have been incorporated in the model. The applicability of various two-phase friction factor multipliers and their effects on stability behaviour have been depicted by carrying a comparative study. It is also observed that the Friedel model for friction factor calculations produces the most accurate results with respect to the available experimental data. (authors)
Directory of Open Access Journals (Sweden)
Ji Kai
2012-11-01
Full Text Available Abstract Background To quantify the incidental irradiation dose to esophageal lymph node stations when irradiating T1-4N0M0 thoracic esophageal squamous cell carcinoma (ESCC patients with a dose of 60 Gy/30f. Methods Thirty-nine patients with medically inoperable T1–4N0M0 thoracic ESCC were treated with three-dimensional conformal radiation (3DCRT with involved-field radiation (IFI. The conformal clinical target volume (CTV was re-created using a 3-cm margin in the proximal and distal direction beyond the barium esophagogram, endoscopic examination and CT scan defined the gross tumor volume (GTV and a 0.5-cm margin in the lateral and anteroposterior directions of the CT scan-defined GTV. The PTV encompassed 1-cm proximal and distal margins and 0.5-cm radial margin based on the CTV. Nodal regions were delineated using the Japanese Society for Esophageal Diseases (JSED guidelines and an EORTC-ROG expert opinion. The equivalent uniform dose (EUD and other dosimetric parameters were calculated for each nodal station. Nodal regions with a metastasis rate greater than 5% were considered a high-risk lymph node subgroup. Results Under a 60 Gy dosage, the median Dmean and EUD was greater than 40 Gy in most high-risk nodal regions except for regions of 104, 106tb-R in upper-thoracic ESCC and 101, 104-R, 105, 106rec-L, 2, 3&7 in middle-thoracic ESCC and 107, 3&7 in lower-thoracic ESCC. In the regions with an EUD less than 40Gy, most incidental irradiation doses were significantly associated with esophageal tumor length and location. Conclusions Lymph node stations near ESCC receive considerable incidental irradiation doses with involved-field irradiation that may contribute to the elimination of subclinical lesions.
Energy Technology Data Exchange (ETDEWEB)
Zhou, Xiafeng, E-mail: zhou-xf11@mails.tsinghua.edu.cn; Guo, Jiong, E-mail: guojiong12@tsinghua.edu.cn; Li, Fu, E-mail: lifu@tsinghua.edu.cn
2015-12-15
Highlights: • NEMs are innovatively applied to solve convection diffusion equation. • Stability, accuracy and numerical diffusion for NEM are analyzed for the first time. • Stability and numerical diffusion depend on the NEM expansion order and its parity. • NEMs have higher accuracy than both second order upwind and QUICK scheme. • NEMs with different expansion orders are integrated into a unified discrete form. - Abstract: The traditional finite difference method or finite volume method (FDM or FVM) is used for HTGR thermal-hydraulic calculation at present. However, both FDM and FVM require the fine mesh sizes to achieve the desired precision and thus result in a limited efficiency. Therefore, a more efficient and accurate numerical method needs to be developed. Nodal expansion method (NEM) can achieve high accuracy even on the coarse meshes in the reactor physics analysis so that the number of spatial meshes and computational cost can be largely decreased. Because of higher efficiency and accuracy, NEM can be innovatively applied to thermal-hydraulic calculation. In the paper, NEMs with different orders of basis functions are successfully developed and applied to multi-dimensional steady convection diffusion equation. Numerical results show that NEMs with three or higher order basis functions can track the reference solutions very well and are superior to second order upwind scheme and QUICK scheme. However, the false diffusion and unphysical oscillation behavior are discovered for NEMs. To explain the reasons for the above-mentioned behaviors, the stability, accuracy and numerical diffusion properties of NEM are analyzed by the Fourier analysis, and by comparing with exact solutions of difference and differential equation. The theoretical analysis results show that the accuracy of NEM increases with the expansion order. However, the stability and numerical diffusion properties depend not only on the order of basis functions but also on the parity of
Durant, Bradford; Hackl, Jason; Balachandar, Sivaramakrishnan
2017-11-01
Nodal discontinuous Galerkin schemes present an attractive approach to robust high-order solution of the equations of fluid mechanics, but remain accompanied by subtle challenges in their consistent stabilization. The effect of quadrature choices (full mass matrix vs spectral elements), over-integration to manage aliasing errors, and explicit artificial viscosity on the numerical solution of a steady homentropic vortex are assessed over a wide range of resolutions and polynomial orders using quadrilateral elements. In both stagnant and advected vortices in periodic and non-periodic domains the need arises for explicit stabilization beyond the numerical surface fluxes of discontinuous Galerkin spectral elements. Artificial viscosity via the entropy viscosity method is assessed as a stabilizing mechanism. It is shown that the regularity of the artificial viscosity field is essential to its use for long-time stabilization of small-scale features in nodal discontinuous Galerkin solutions of the Euler equations of gas dynamics. Supported by the Department of Energy Predictive Science Academic Alliance Program Contract DE-NA0002378.
International Nuclear Information System (INIS)
Zhao Lujun; Chen Ming; Haken, Randall ten; Chetty, Indrin; Chapet, Olivier; Hayman, James A.; Kong Fengming
2007-01-01
Background and purpose: To determine the dose to regional nodal stations in patients with T 1-3 N 0 M 0 non-small cell lung cancer (NSCLC) treated with three-dimensional conformal radiation therapy (3DCRT) without intentional elective nodal irradiation (ENI). Materials and methods: Twenty-three patients with medically inoperable T 1-3 N 0 M 0 NSCLC were treated with 3DCRT without ENI. Hilar and mediastinal nodal regions were contoured on planning CT. The prescription dose was normalized to 70 Gy. Equivalent uniform dose (EUD) and other dosimetric parameters (e.g., V 40 ) were calculated for each nodal station. Results: The median EUD for the whole group ranged from 0.4 to 4.4 Gy for all elective nodal regions. Gross tumor volume (GTV) and the relationship between GTV and hilum were significantly correlated with irradiation dose to ipsilateral hilar nodal regions (P 3 (diameter ∼ 4 cm) and or having any overlap with hilum, the median EUDs were 9.6, 22.6, and 62.9 Gy for ipsilateral lower paratracheal, subcarinal, and ipsilateral hilar regions, respectively. The corresponding median V 40 were 32.5%, 39.3%, and 97.6%, respectively. Conclusions: Although incidental nodal irradiation dose is low in the whole group, the dose to high-risk nodal regions is considerable in patients with T 1-3 N 0 NSCLC when the primary is large and/or centrally located
Stability of generic thin shells in conformally flat spacetimes
Energy Technology Data Exchange (ETDEWEB)
Amirabi, Z. [Eastern Mediterranean Univ., Gazimagusa (Turkey). Dept. of Physics
2017-07-15
Some important spacetimes are conformally flat; examples are the Robertson-Walker cosmological metric, the Einstein-de Sitter spacetime, and the Levi-Civita-Bertotti-Robinson and Mannheim metrics. In this paper we construct generic thin shells in conformally flat spacetime supported by a perfect fluid with a linear equation of state, i.e., p = ωσ. It is shown that, for the physical domain of ω, i.e., 0 < ω ≤ 1, such thin shells are not dynamically stable. The stability of the timelike thin shells with the Mannheim spacetime as the outer region is also investigated. (orig.)
Nanobody stabilization of G protein coupled receptor conformational states
Steyaert, Jan; K Kobilka, Brian
2011-01-01
Remarkable progress has been made in the field of G protein coupled receptor (GPCR) structural biology during the past four years. Several obstacles to generating diffraction quality crystals of GPCRs have been overcome by combining innovative methods ranging from protein engineering to lipid-based screens and microdiffraction technology. The initial GPCR structures represent energetically stable inactive-state conformations. However, GPCRs signal through different G protein isoforms or G protein-independent effectors upon ligand binding suggesting the existence of multiple ligand-specific active states. These active-state conformations are unstable in the absence of specific cytosolic signaling partners representing new challenges for structural biology. Camelid single chain antibody fragments (nanobodies) show promise for stabilizing active GPCR conformations and as chaperones for crystallogenesis. PMID:21782416
International Nuclear Information System (INIS)
Chen Ming; Hayman, James A.; Haken, Randall K. ten; Tatro, Daniel; Fernando, Shaneli; Kong, F.-M.
2006-01-01
Purpose: To report the results of high-dose conformal irradiation and examine incidental nodal irradiation and nodal failure in patients with inoperable early-stage non-small-cell lung cancer (NSCLC). Methods and Materials: This analysis included patients with inoperable CT-staged T1-3N0M0 NSCLC treated on our prospective dose-escalation trial. Patients were treated with radiation alone (total dose, 63-102.9 Gy in 2.1-Gy daily fractions) with a three-dimensional conformal technique without intentional nodal irradiation. Bilateral highest mediastinal and upper/lower paratracheal, prevascular and retrotracheal, sub- and para-aortic, subcarinal, paraesophageal, and ipsilateral hilar regions were delineated individually. Nodal failure and doses of incidental irradiation were studied. Results: The potential median follow-up was 104 months. For patients who completed protocol treatment, median survival was 31 months. The actuarial overall survival rate was 86%, 61%, 43%, and 21% and the cause-specific survival rate was 89%, 70%, 53%, and 35% at 1, 2, 3, and 5 years, respectively. Weight loss (p = 0.008) and radiation dose in Gy (p = 0.013) were significantly associated with overall survival. In only 22% and 13% of patients examined did ipsilateral hilar and paratracheal (and subaortic for left-sided tumor) nodal regions receive a dose of ≥40 Gy, respectively. Less than 10% of all other nodal regions received a dose of ≥40 Gy. No patients failed initially at nodal sites. Conclusions: Radiation dose is positively associated with overall survival in patients with medically inoperable T1-3N0 NSCLC, though long-term results remain poor. The nodal failure rate is low and does not seem to be due to high-dose incidental irradiation
Spectroscopic properties and conformational stability of Concholepas concholepas hemocyanin.
Idakieva, Krassimira; Nikolov, Peter; Chakarska, Irena; Genov, Nicolay; Shnyrov, Valery L
2008-01-01
The structure in solution and conformational stability of the hemocyanin from the Chilean gastropod mollusk Concholepas concholepas (CCH) and its structural subunits, CCH-A and CCH-B, were studied using fluorescence spectroscopy and differential scanning calorimetry (DSC). The fluorescence properties of the oxygenated and apo-form (copper-deprived) of the didecamer and its subunits were characterized. Besides tryptophan residues buried in the hydrophobic interior of the protein molecule also exposed fluorophores determine the fluorescence emission of the oxy- and apo-forms of the investigated hemocyanins. The copper-dioxygen system at the binuclear active site quenches the tryptophan emission of the oxy-forms of CCH and its subunits. The removal of this system increases the fluorescence quantum yield and causes structural rearrangement of the microenvironment of the emitting tryptophan residues in the respective apo-forms. Time-resolved fluorescence measurements show that the oxygenated and copper-deprived forms of the CCH and its subunits exist in different conformations. The thermal denaturation of the hemocyanin is an irreversible process, under kinetic control. A successive annealing procedure was applied to obtain the experimental deconvolution of the irreversible thermal transitions. Arrhenius equation parameter for the two-state irreversible model of the thermal denaturation of oxy-CCH at pH 7.2 was estimated. Both factors, oligomerization and the copper-dioxygen system at the active site, are important for stabilizing the structure of the hemocyanin molecule.
Energy Technology Data Exchange (ETDEWEB)
Bai, W; Zhang, R; Zhou, Z; Qiao, X [The Fourth Hospital of Hebei Medical University, Shijiazhuang, Hebei (China)
2016-06-15
Purpose: To compare elective nodal irradiation with involved-field irradiation for three-dimensional conformal radiotherapy or intensity-modulated radiotherapy in patients with esophageal cancer by a metaanalysis. Methods: Wanfang, CNKI, VIP, CBM databases, PubMed, Embase and Cochrane Library were searched to identify the controlled clinical trials of elective nodal irradiation with involved-field irradiation for three-dimensional conformal radiotherapy or intensity-modulated radiotherapy in patients with esophageal cancer. The obtained data were analyzed using Stata 11.0. The difference between two groups was estimated by calculating the odds ratio (OR) with 95% confidence interval (95% CI). Results: A total of 12 controlled clinical trials involving 1095 esophageal cancer patients, which were selected according to inclusion and exclusion criteria, were included in this meta-analysis. The meta-analysis showed that the elective nodal irradiation group reduced the rates of out-field failure comparing with involved-field irradiation group (OR=3.727, P=0.007). However, the rates of ≥grades 3 acute radiation pneumonitis and esophagitis were significantly higher in the elective nodal irradiation group than in the involved-field irradiation group (OR=0.348, P=0.001, OR=0.385, P=0.000). 1-, 2-, 3-year local control rates (OR=0.966, P=0.837, OR=0.946, P=0.781; OR=0.732P=0.098) and 1-, 3-, 5-year survival rates were similar in the two groups ( OR=0.966, P=0.837; OR=0.946, P=0.781; OR=0.732, P=0.098; OR=0.952, P=0.756; OR=1.149, P=0.422; OR=0.768, P=0.120). It is the same with the rates of distant metastasis (OR=0.986, P=0.937). Conclusion: Compared with involved-field irradiation, the elective nodal irradiation can reduce the rates of out-field failure for three-dimensional conformal radiotherapy or intensity-modulated radiotherapy in patients with esophageal cancer. However, its advantage of local control and survival rates is not obvious and it increases the incidence
Bi, Ren; Yan, Zhongbo; Lu, Ling; Wang, Zhong
2017-11-01
Topological nodal-line semimetals are characterized by one-dimensional lines of band crossing in the Brillouin zone. In contrast to nodal points, nodal lines can be in topologically nontrivial configurations. In this Rapid Communication, we introduce the concept of "nodal-knot semimetals," whose nodal lines form topologically nontrivial knots in the Brillouin zone. We introduce a generic construction of nodal-knot semimetals, which yields the simplest trefoil nodal knot and other more complicated nodal knots. The knotted-unknotted transitions by nodal-line reconnections are also studied. Our work brings the knot theory to the subject of topological semimetals.
Singh, Somnath; Singh, Jagdish
2003-01-01
The purpose of this study was to investigate the stabilizing action of polyols against various protein degradation mechanisms (eg, aggregation, deamidation, oxidation), using a model protein lysozyme. Differential scanning calorimeter (DSC) was used to measure the thermodynamic parameters, mid point transition temperature and calorimetric enthalpy, in order to evaluate conformational stability. Enzyme activity assay was used to corroborate the DSC results. Mannitol, sucrose, lactose, glycerol, and propylene glycol were used as polyols to stabilize lysozyme against aggregation, deamidation, and oxidation. Mannitol was found to stabilize lysozyme against aggregation, sucrose against deamidation both at neutral pH and at acidic pH, and lactose against oxidation. Stabilizers that provided greater conformational stability of lysozyme against various degradation mechanisms also protected specific enzyme activity to a greater extent. It was concluded that DSC and bioassay could be valuable tools for screening stabilizers in protein formulations.
Conformational Stabilization of Rat S-Adenosylmethionine Decarboxylase by Putrescine
和田, 牧子; 白幡, 晶
2010-01-01
The activity and processing of mammalian S-adenosylmethionine decarboxylase (AdoMetDC) is stimulated by putrescine. To obtain new insights into the mechanism through which putrescine stimulates AdoMetDC, we investigated conformational changes in rat prostate AdoMetDC in the presence or absence of putrescine. We examined the reactivity of purified rat prostate AdoMetDC to the SH-reagent iodoacetic acid (IAA) and its susceptibility to proteolysis in the presence or absence of putrescine using m...
LaPlante, Arthur J.; Stidham, Howard D.
2009-10-01
The mid and far infrared and the Raman spectrum of 1,2-dibromopropane is reported in solid, liquid and gas. Several bands reported by earlier workers are not present in the spectrum of the purified material. Ab initio calculations of optimized geometry, energy, dipole moment, molar volume, vibrational spectrum and normal coordinate calculation were performed using the density functional B3LYP/6-311++g(3df,2pd), and the results used to assist a complete assignment of the 81 fundamental modes of vibrations of the three conformers of 1,2-dibromopropane. Relative energies found conformer A the lowest with G and G' at 815.6 and 871.4 cm -1 higher. The temperature dependence of the Raman spectrum of the liquid was investigated in the CCC bending region and the relative energies determined. It was found that the G' and G conformers lie 236 ± 11 and 327 ±11 cm -1, respectively above the A conformer, leading to the room temperature composition of the liquid as A, 65 ± 1; G', 21 ± 1; G, 14 ± 1%. It is apparent that the calculated highest energy conformer G' is stabilized more than the G conformer in the liquid. The G' conformer has the lowest molar volume effectively changing the interaction distance between conformers in the liquid, and enhancing the effect of its dipole moment.
Singh, Somnath; Singh, Jagdish
2003-01-01
The purpose of this study was to investigate the stabilizing action of polyols against various protein degradation mechanisms (eg, aggregation, deamidation, oxidation), using a model protein lysozyme. Differential scanning calorimeter (DSC) was used to measure the thermodynamic parameters, mid point transition temperature and calorimetric enthalpy, in order to evaluate conformational stability. Enzyme activity assay was used to corroborate the DSC results. Mannitol, sucrose, lactose, glycerol...
Sharma, Meenakshi; Kumar, Dinesh; Poluri, Krishna Mohan
2018-04-01
Characterization of partially collapsed protein conformations at atomic level is a daunting task due to their inherent flexibility and conformational heterogeneity. T7 bacteriophage endolysin (T7L) is a single-domain amidase that facilitates the lysis of Gram-negative bacteria. T7L exhibits a pH-dependent structural transition from native state to partially folded (PF) conformation. In the pH range 5-3, T7L PF states display differential ANS binding characteristics. CD, fluorescence, NMR spectroscopy and lysis assays were used to investigate the structure-stability- dynamics relationships of T7L PF conformations. Structural studies indicated a partial loss of secondary/tertiary structures compared to its native state. The loss in the tertiary structure and the hydrophobic core opening increases upon decrease of pH from 5 to 3. Thermal denaturation experiments delineated that the pH 5 conformation is thermally irreversible in contrast to pH 3, depicting that hydrophobic core opening is essential for thermal reversibility. Further, urea dependent unfolding features of PF state at pH 5 and 4 evidenced for a collapsed conformation at intermediate urea concentrations. Residue level studies revealed that α1-helix and β3-β4 segment of T7L are the major contributors for such a structural collapse and inherent dynamics. The results suggested that the low pH PF states of T7L are heterogeneous and exhibits differential structural, unfolding, thermal reversibility, and dynamic features. Unraveling the structure-stability characteristics of different endolysin conformations is essential for designing novel chimeric and engineered phage endolysins as broadband antimicrobial agents over a varied pH range. Copyright © 2018 Elsevier B.V. All rights reserved.
Influence of Tableting on the Conformation and Thermal Stability of Trypsin as a Model Protein
DEFF Research Database (Denmark)
Klukkert, Marten; Van De Weert, Marco; Fanø, Mathias
2015-01-01
The objective of this study was to investigate the influence of compaction on the conformation of trypsin, its transition temperature (Tm ) of unfolding, and its folding reversibility after thermal denaturation. Plain trypsin was compacted at 40-382 MPa. Pressure-induced changes in the trypsin...... was performed to determine the Tm as well as the folding reversibility after thermal denaturation of the reconstituted samples. It was found that compacted samples showed reduced activity accompanied by an altered secondary structure. Conformational changes that occur in the solid state were partially...... reversible upon tablet reconstitution. Aqueous-state IR spectroscopy combined with partial least squares was shown to be a powerful tool to follow irreversible structural changes and evaluate sample bioactivity. Besides its conformation, the thermal stability of trypsin was altered as a result of the applied...
Pham, Khoa; Dhulipala, Gangadhar; Gonzalez, Walter G; Gerstman, Bernard S; Regmi, Chola; Chapagain, Prem P; Miksovska, Jaroslava
2015-05-01
Downstream Regulatory Element Antagonist Modulator (DREAM) belongs to the family of neuronal calcium sensors (NCS) that transduce the intracellular changes in Ca(2+) concentration into a variety of responses including gene expression, regulation of Kv channel activity, and calcium homeostasis. Despite the significant sequence and structural similarities with other NCS members, DREAM shows several features unique among NCS such as formation of a tetramer in the apo-state, and interactions with various intracellular biomacromolecules including DNA, presenilin, Kv channels, and calmodulin. Here we use spectroscopic techniques in combination with molecular dynamics simulation to study conformational changes induced by Ca(2+) /Mg(2+) association to DREAM. Our data indicate a minor impact of Ca(2+) association on the overall structure of the N- and C-terminal domains, although Ca(2+) binding decreases the conformational heterogeneity as evident from the decrease in the fluorescence lifetime distribution in the Ca(2+) bound forms of the protein. Time-resolved fluorescence data indicate that Ca(2+) binding triggers a conformational transition that is characterized by more efficient quenching of Trp residue. The unfolding of DREAM occurs through an partially unfolded intermediate that is stabilized by Ca(2+) association to EF-hand 3 and EF-hand 4. The native state is stabilized with respect to the partially unfolded state only in the presence of both Ca(2+) and Mg(2+) suggesting that, under physiological conditions, Ca(2+) free DREAM exhibits a high conformational flexibility that may facilitate its physiological functions. © 2015 The Protein Society.
Effects of modified β-cyclodextrin on thermal stability and conformation of lysozyme
International Nuclear Information System (INIS)
Kamiyama, Tadashi; Satoh, Megumi; Tateishi, Takahiro; Nojiri, Tomoaki; Takeuchi, Daisuke; Kimura, Takayoshi
2012-01-01
Highlights: ► Effects of cyclodextrin on stability and conformation of lysozyme were clarified. ► The CD influences the hydrophobic interaction of lysozyme by the inclusion. ► The CD relatively destabilized the folded state by stabilizing the unfolded state. ► The destabilization depends on the concentration and the substituent of CD. ► The conformation of lysozyme was more spread at unfolded state by inclusion of CD. - Abstract: Effects of cyclic oligosaccharide cyclodextrin (CD) on stability and conformation of lysozyme were clarified thermodynamically and rheologically by DSC, viscosity, and circular dichroism measurements. The modified β-CD relatively destabilized the folded state of lysozyme by stabilizing the unfolded state due to inclusion of hydrophobic part into the hydrophobic interior of CD. The order of higher destabilization effect was acetyl-β-CD > methyl-β-CD > hydroxypropyl-β-CD. Apparent number of bound CD to unfolded state for methyl-, hydroxypropyl-, and acetyl-β-CD is 6.7 ± 0.7, 4.2 ± 1.1, and 18.6 ± 4.3 and the binding constant is 5.5 ± 0.8, 6.7 ± 2.4, and 4.4 ± 1.2 L mol −1 , respectively. The viscosity for unfolded state was increased with an increase in the each modified β-CD concentration, suggesting that the inclusion of CD on a part of hydrophobic core at unfolded state leads to break the hydrophobic core, then lysozyme would be more spread structure. The substituent of CD can accelerate instability by directly breaking hydrogen bond and/or can restrain instability by increase in hydrophobic interaction. The fact that the each modified CDs has different destabilization effect shows a possibility to control the stability of protein by the substitution of CD.
Energy Technology Data Exchange (ETDEWEB)
Soriano-Correa, Catalina, E-mail: csorico@comunidad.unam.mx [Química Computacional, Facultad de Estudios Superiores (FES)-Zaragoza, Universidad Nacional Autónoma de México (UNAM), Iztapalapa, C.P. 09230 México, D.F. (Mexico); Barrientos-Salcedo, Carolina [Laboratorio de Química Médica y Quimiogenómica, Facultad de Bioanálisis Campus Veracruz-Boca del Río, Universidad Veracruzana, C.P. 91700 Veracruz (Mexico); Campos-Fernández, Linda; Alvarado-Salazar, Andres [Química Computacional, Facultad de Estudios Superiores (FES)-Zaragoza, Universidad Nacional Autónoma de México (UNAM), Iztapalapa, C.P. 09230 México, D.F. (Mexico); Esquivel, Rodolfo O. [Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa (UAM-Iztapalapa), C.P. 09340 México, D.F. (Mexico)
2015-08-18
Highlights: • Asparagine plays an important role to anti-inflammatory effect of peptides. • The electron-donor substituent groups favor the formation of the hydrogen bonds, which contribute in the structural stability of peptides. • Chemical reactivity and the physicochemical features are crucial in the biological functions of peptides. - Abstract: Inflammatory response events are initiated by a complex series of molecular reactions that generate chemical intermediaries. The structure and properties of peptides and proteins are determined by the charge distribution of their side chains, which play an essential role in its electronic structure and physicochemical properties, hence on its biological functionality. The aim of this study was to analyze the effect of changing one central amino acid, such as substituting asparagine for aspartic acid, from Cys–Asn–Ser in aqueous solution, by assessing the conformational stability, physicochemical properties, chemical reactivity and their relationship with anti-inflammatory activity; employing quantum-chemical descriptors at the M06-2X/6-311+G(d,p) level. Our results suggest that asparagine plays a more critical role than aspartic acid in the structural stability, physicochemical features, and chemical reactivity of these tripeptides. Substituent groups in the side chain cause significant changes on the conformational stability and chemical reactivity, and consequently on their anti-inflammatory activity.
Chen, Bin; Wang, Huiqiang; Wu, Zhun; Duan, Bo; Bai, Peide; Zhang, Kaiyan; Li, Wei; Zheng, Jiaxin; Xing, Jinchun
2017-07-01
The forkhead box (FOX) transcription factor is a family of tumor suppressors that negatively regulates the tumorigenesis activity of prostate cancer; stabilization of FOX-DNA complex architecture has been recognized as a new and promising strategy for sensitizing cancer chemotherapy. Here, we described a systematic method that combined in silico analysis and in vitro assay to investigate the intermolecular interaction between FOX DNA-binding domain (DBD) and its cognate DNA partner. The structural and energetic information harvested from the molecular investigation were used to guide high-throughput virtual screening against a structurally diverse, nonredundant library of natural product compounds, aiming at discovery of novel small-molecule medicines that can conformationally stabilize and promote FOX-DNA recognition and interaction. The screening identified a number of theoretically promising hits, which were then examined by using fluorescence anisotropy assay to determine their binding potency for FOX DBD domain. The antitumor activity of identified high-affinity compounds was also tested at cellular level. Structural dynamics analysis found that the small-molecule stabilizers can shift the conformational equilibrium of FOX DBD to DNA-bound state, thus promoting the protein domain to bind tightly with its DNA partner.
Cui, Li; Du, Guocheng; Zhang, Dongxu; Chen, Jian
2008-06-01
Thermal stability and conformational changes of transglutaminase (TGase) from a newly isolated Streptomyces hygroscopicus were investigated in this study. The inactivation kinetics of the microbial transglutaminase (MTGase) was fitted using one-step inactivation model. It was much more stable under 40 degrees C. The half-lives for the MTGase at 50 degrees C and 60 degrees C were only 20 min and 8 min, respectively. Spectroscopic studies of the enzyme suggested conformational transition from ordered secondary structural elements (alpha/beta-protein) to unordered structure during thermal denaturation. Some polyols could improve the thermal stability of the enzyme. Among the polyols examined, the prolonged half-lives of 40 min at 50 degrees C and 20 min at 60 degrees C were gained by adding 10% glycerol. The results of differential scanning calorimetric (DSC) analysis showed a distinct transition peak with a significant greater Tm and DeltaH for the MTGase mixed with polyols in comparison with the control, which indicated that the polyols could maintain the natural structure of the enzyme to some extent. The SDS-PAGE electrophoresis of cross-linked casein confirmed that the stabilizers could protect the MTGase from thermal denaturation.
Türker, Oǧuz; Moroz, Sergej
2018-02-01
We consider three-dimensional fermionic band theories that exhibit Weyl nodal surfaces defined as two-band degeneracies that form closed surfaces in the Brillouin zone. We demonstrate that topology ensures robustness of these objects under small perturbations of a Hamiltonian. This topological robustness is illustrated in several four-band models that exhibit nodal surfaces protected by unitary or antiunitary symmetries. Surface states and Nielsen-Ninomiya doubling of nodal surfaces are also investigated.
Cobb, Nathan J; Apostol, Marcin I; Chen, Shugui; Smirnovas, Vytautas; Surewicz, Witold K
2014-01-31
Mammalian prion strains are believed to arise from the propagation of distinct conformations of the misfolded prion protein PrP(Sc). One key operational parameter used to define differences between strains has been conformational stability of PrP(Sc) as defined by resistance to thermal and/or chemical denaturation. However, the structural basis of these stability differences is unknown. To bridge this gap, we have generated two strains of recombinant human prion protein amyloid fibrils that show dramatic differences in conformational stability and have characterized them by a number of biophysical methods. Backbone amide hydrogen/deuterium exchange experiments revealed that, in sharp contrast to previously studied strains of infectious amyloid formed from the yeast prion protein Sup35, differences in β-sheet core size do not underlie differences in conformational stability between strains of mammalian prion protein amyloid. Instead, these stability differences appear to be dictated by distinct packing arrangements (i.e. steric zipper interfaces) within the amyloid core, as indicated by distinct x-ray fiber diffraction patterns and large strain-dependent differences in hydrogen/deuterium exchange kinetics for histidine side chains within the core region. Although this study was limited to synthetic prion protein amyloid fibrils, a similar structural basis for strain-dependent conformational stability may apply to brain-derived PrP(Sc), especially because large strain-specific differences in PrP(Sc) stability are often observed despite a similar size of the PrP(Sc) core region.
Mozaffari Majd, M.; Dabbagh, H. A.; Farrokhpour, H.; Najafi Chermahini, A.
2017-11-01
The adsorption energies (Eads) and relative stabilities of selected conformers of the most stable tautomer of L-ascorbic acid (vitamin C) on the dehydroxylated γ-alumina (100) surface were calculated in both gas phase and solvent (water) using the density functional theory (DFT) method. The selected conformers were related to the different rotational angles of OH groups of L-ascorbic acid. The conformational analysis of bare tautomer in both gas and water showed that the conformer No.20 (conf. 20) and 13 (conf. 13) with the dihedral angles of H15sbnd O10sbnd C11sbnd C9 (-73°) and H20sbnd O19sbnd C9sbnd C11 (-135°) were the most stable and unstable conformers, respectively. The performed calculations in the presence of surface showed that the interaction of the conformers with the surface changes their relative stabilities and structures in both gas phase and water. The Ead of each conformer was calculated and it was determined that conf. 8 and conf. 16 have the highest value of Ead in the gas phase (-62.56 kcal/mol) and water (-54.44 kcal/mol), respectively. The optimized structure of each conformer on the surface and the number of hydrogen bonds between it and surface along with their bond lengths were determined.
Wacker, Sarah A; Bradley, Michael J; Marion, Jimmy; Bell, Ellis
2010-10-01
Bovine glutamate dehydrogenase (GDH) is allosterically regulated and requires substrate-induced subunit interactions for maximum catalytic activity. Steady-state and presteady-state kinetics indicate that the rate-limiting step depends on the nature of the substrate and are likely associated with conformational fluctuations necessary for optimal hydride transfer. Deuterated glutamate shows a steady-state isotope effect but no effect on the presteady-state burst rate, demonstrating that conformational effects are rate limiting for hydride transfer while product release is overall rate limiting for glutamate. Guanidine hydrochloride unfolding, heat inactivation, and differential scanning calorimetry demonstrate the effects of alternative substrates, glutamate and norvaline, on conformational stability. Glutamate has little effect on overall stability, whereas norvaline markedly stabilizes the protein. Limited proteolysis demonstrates that glutamate had a variety of effects on local flexibility, whereas norvaline significantly decreased conformational fluctuations that allow protease cleavage. Dynamic light scattering suggests that norvaline stabilizes all interfaces in the hexamer, whereas glutamate had little effect on trimer-trimer interactions. The substrate glutamate exhibits negative cooperativity and complex allosteric regulation but has only minor effects on global GDH stability, while promoting certain local conformational fluctuations. In contrast, the substrate norvaline does not show negative cooperativity or allow allosteric regulation. Instead, norvaline significantly stabilizes the enzyme and markedly slows or prevents local conformational fluctuations that are likely to be important for cooperative effects and to determine the overall rate of hydride transfer. This suggests that homotropic allosteric regulation by the enzymatic substrate involves changes in both global stability and local flexibility of the protein.
The impact of N-glycosylation on conformation and stability of immunoglobulin Y from egg yolk.
Sheng, Long; He, Zhenjiao; Chen, Jiahui; Liu, Yaofa; Ma, Meihu; Cai, Zhaoxia
2017-03-01
Immunoglobulin Y (IgY) is a new therapeutic antibody, and its applications in industry are very broad. To provide insight into the effects of N-glycosylation on IgY, its conformation and stability were studied. In this research, IgY was extracted from egg yolk and then digested by peptide-N4-(N-acetyl-beta-glucosaminyl) asparagine-amidase. SDS-PAGE and infrared absorption spectrum showed that carbohydrates were distinctly reduced after enzymolysis. The circular dichroism spectrum indicated that the IgY molecule became more flexible and disordered after removal of N-glycan. The fluorescence intensity revealed that Trp residues were buried in a more hydrophobic environment after disposal of N-glycan. Storage stability decreased with the removal of oligosaccharide chains based on size-exclusion chromatography analysis. Deglycosylated IgY exhibited less resistance to guanidine hydrochloride-induced unfolding. After deglycosylation, IgY was more sensitive to pepsin. Therefore, N-glycosylation played an important role in the maintenance of the structure and stability of IgY. Copyright © 2016 Elsevier B.V. All rights reserved.
Overall conformation of covalently stabilized domain-swapped dimer of human cystatin C in solution
Murawska, Magdalena; Szymańska, Aneta; Grubb, Anders; Kozak, Maciej
2017-11-01
Human cystatin C (HCC), a small protein, plays a crucial role in inhibition of cysteine proteases. The most common structural form of human cystatin C in crystals is a dimer, which has been evidenced both for the native protein and its mutants. In these structures, HCC dimers were formed through the mechanism of domain swapping. The structure of the monomeric form of human cystatin C was determined for V57N mutant and the mutant with the engineered disulfide bond (L47C)-(G69C) (known as stab1-HCC). On the basis of stab1-HCC, a number of covalently stabilized oligomers, including also dimers have been obtained. The aim of this study was to analyze the structure of the covalently stabilized dimer HCC in solution by the small angle X-ray scattering (SAXS) technique and synchrotron radiation. Experimental data confirmed that in solution this protein forms a dimer, which is characterized by the radius of gyration RG = 3.1 nm and maximum intramolecular distance Dmax = 10.3 nm. Using the ab initio method and program DAMMIN, we propose a low resolution structure of stabilized covalently cystatin C in solution. Stab-HCC dimer adopts in solution an elongated conformation, which is well reconstructed by the ab initio model.
Salt effects on the conformational stability of the visual G-protein-coupled receptor rhodopsin.
Reyes-Alcaraz, Arfaxad; Martínez-Archundia, Marlet; Ramon, Eva; Garriga, Pere
2011-12-07
Membrane protein stability is a key parameter with important physiological and practical implications. Inorganic salts affect protein stability, but the mechanisms of their interactions with membrane proteins are not completely understood. We have undertaken the study of a prototypical G-protein-coupled receptor, the α-helical membrane protein rhodopsin from vertebrate retina, and explored the effects of inorganic salts on the thermal decay properties of both its inactive and photoactivated states. Under high salt concentrations, rhodopsin significantly increased its activation enthalpy change for thermal bleaching, whereas acid denaturation affected the formation of a denatured loose-bundle state for both the active and inactive conformations. This behavior seems to correlate with changes in protonated Schiff-base hydrolysis. However, chromophore regeneration with the 11-cis-retinal chromophore and MetarhodopsinII decay kinetics were slower only in the presence of sodium chloride, suggesting that in this case, the underlying phenomenon may be linked to the activation of rhodopsin and the retinal release processes. Furthermore, the melting temperature, determined by means of circular dichroism and differential scanning calorimetry measurements, was increased in the presence of high salt concentrations. The observed effects on rhodopsin could indicate that salts favor electrostatic interactions in the retinal binding pocket and indirectly favor hydrophobic interactions at the membrane protein receptor core. These effects can be exploited in applications where the stability of membrane proteins in solution is highly desirable. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.
Salt Effects on the Conformational Stability of the Visual G-Protein-Coupled Receptor Rhodopsin
Reyes-Alcaraz, Arfaxad; Martínez-Archundia, Marlet; Ramon, Eva; Garriga, Pere
2011-01-01
Membrane protein stability is a key parameter with important physiological and practical implications. Inorganic salts affect protein stability, but the mechanisms of their interactions with membrane proteins are not completely understood. We have undertaken the study of a prototypical G-protein-coupled receptor, the α-helical membrane protein rhodopsin from vertebrate retina, and explored the effects of inorganic salts on the thermal decay properties of both its inactive and photoactivated states. Under high salt concentrations, rhodopsin significantly increased its activation enthalpy change for thermal bleaching, whereas acid denaturation affected the formation of a denatured loose-bundle state for both the active and inactive conformations. This behavior seems to correlate with changes in protonated Schiff-base hydrolysis. However, chromophore regeneration with the 11-cis-retinal chromophore and MetarhodopsinII decay kinetics were slower only in the presence of sodium chloride, suggesting that in this case, the underlying phenomenon may be linked to the activation of rhodopsin and the retinal release processes. Furthermore, the melting temperature, determined by means of circular dichroism and differential scanning calorimetry measurements, was increased in the presence of high salt concentrations. The observed effects on rhodopsin could indicate that salts favor electrostatic interactions in the retinal binding pocket and indirectly favor hydrophobic interactions at the membrane protein receptor core. These effects can be exploited in applications where the stability of membrane proteins in solution is highly desirable. PMID:22261069
Dasnoy, Sébastien; Le Bras, Vivien; Préat, Véronique; Lemoine, Dominique
2012-02-01
In high-throughput screening (HTS) assays, the use of ultraviolet absorption spectroscopy (UA) is commonly limited to concentration and turbidity measurements. Our aim was to evaluate microplate-based UA and its second-derivative [(2d)UA] for measuring the conformational stability of two recombinant antigenic proteins in the presence of 44 excipients. Protein conformational stability was assessed by (2d)UA upon titration with guanidine hydrochloride. (2d)UA was compared with tryptophan fluorescence spectroscopy (TF) and differential scanning fluorimetry (DSF), both commonly used techniques for measuring protein conformational stability. The HTS data were corrected for plate, row and column effects by applying a median polish procedure. Irrespective of the unfolding method applied, similar stabilizing excipients were identified by all analytical methods for a given antigen. The native forms of both antigens were destabilized by arginine, hydroxypropyl-β-cyclodextrin, and sodium docusate, and were protected by polyols. The median polish correction improved the quality of the prediction models and the screening resolution. The higher sensitivities of TF and DSF compared with (2d)UA allowed the identification of a larger number of stabilizing excipients. However, similar screening resolutions (z'-factor > 0.8) were observed for 2dUA, TF, and DSF in a HTS of excipients applied to one of the antigens. Therefore, (2d)UA deserves more attention in HTS studies focused on protein conformational stability. Copyright © 2011 Wiley Periodicals, Inc.
Saito, Shuntaro; Hasegawa, Jun; Kobayashi, Naoki; Tomitsuka, Toshiaki; Uchiyama, Susumu; Fukui, Kiichi
2013-05-01
To develop a general strategy for optimizing monoclonal antibody (MAb) formulations. Colloidal stabilities of four representative MAbs solutions were assessed based on the second virial coefficient (B 2) at 20°C and 40°C, and net charges at different NaCl concentrations, and/or in the presence of sugars. Conformational stabilities were evaluated from the unfolding temperatures. The aggregation propensities were determined at 40°C and after freeze-thawing. The electrostatic potential of antibody surfaces was simulated for the development of rational formulations. Similar B 2 values were obtained at 20°C and 40°C, implying little dependence on temperature. B 2 correlated quantitatively with aggregation propensities at 40°C. The net charge partly correlated with colloidal stability. Salts stabilized or destabilized MAbs, depending on repulsive or attractive interactions. Sugars improved the aggregation propensity under freeze-thaw stress through improved conformational stability. Uneven and even distributions of potential surfaces were attributed to attractive and strong repulsive electrostatic interactions. Assessment of colloidal stability at the lowest ionic strength is particularly effective for the development of formulations. If necessary, salts are added to enhance the colloidal stability. Sugars further improved aggregation propensities by enhancing conformational stability. These behaviors are rationally predictable according to the surface potentials of MAbs.
Conformational stability analyses of alpha subunit I domain of LFA-1 and Mac-1.
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Debin Mao
Full Text Available β₂ integrin of lymphocyte function-associated antigen-1 (LFA-1 or macrophage-1 antigen (Mac-1 binds to their common ligand of intercellular adhesion molecule-1 (ICAM-1 and mediates leukocyte-endothelial cell (EC adhesions in inflammation cascade. Although the two integrins are known to have distinct functions, the corresponding micro-structural bases remain unclear. Here (steered-molecular dynamics simulations were employed to elucidate the conformational stability of α subunit I domains of LFA-1 and Mac-1 in different affinity states and relevant I domain-ICAM-1 interaction features. Compared with low affinity (LA Mac-1, the LA LFA-1 I domain was unstable in the presence or absence of ICAM-1 ligand, stemming from diverse orientations of its α₇-helix with different motifs of zipper-like hydrophobic junction between α₁- and α₇-helices. Meanwhile, spontaneous transition of LFA-1 I domain from LA state to intermediate affinity (IA state was first visualized. All the LA, IA, and high affinity (HA states of LFA-1 I domain and HA Mac-1 I domain were able to bind to ICAM-1 ligand effectively, while LA Mac-1 I domain was unfavorable for binding ligand presumably due to the specific orientation of S144 side-chain that capped the MIDAS ion. These results furthered our understanding in correlating the structural bases with their functions of LFA-1 and Mac-1 integrins from the viewpoint of I domain conformational stability and of the characteristics of I domain-ICAM-1 interactions.
Maddux, Nathaniel R.; Rosen, Ilan T.; Hu, Lei; Olsen, Christopher M.; Volkin, David B.; Middaugh, C. Russell
2013-01-01
The Empirical Phase Diagram (EPD) technique is a vector-based multidimensional analysis method for summarizing large data sets from a variety of biophysical techniques. It can be used to provide comprehensive preformulation characterization of a macromolecule’s higher-order structural integrity and conformational stability. In its most common mode, it represents a type of stimulus-response diagram using environmental variables such as temperature, pH, and ionic strength as the stimulus, with alterations in macromolecular structure being the response. Until now EPD analysis has not been available in a high throughput mode because of the large number of experimental techniques and environmental stressor/stabilizer variables typically employed. A new instrument has been developed that combines circular dichroism, UV-absorbance, fluorescence spectroscopy and light scattering in a single unit with a 6-position temperature controlled cuvette turret. Using this multifunctional instrument and a new software system we have generated EPDs for four model proteins. Results confirm the reproducibility of the apparent phase boundaries and protein behavior within the boundaries. This new approach permits two EPDs to be generated per day using only 0.5 mg of protein per EPD. Thus, the new methodology generates reproducible EPDs in high-throughput mode, and represents the next step in making such determinations more routine. PMID:22447621
Maddux, Nathaniel R; Rosen, Ilan T; Hu, Lei; Olsen, Christopher M; Volkin, David B; Middaugh, C Russell
2012-06-01
The empirical phase diagram (EPD) technique is a vector-based multidimensional analysis method for summarizing large data sets from a variety of biophysical techniques. It can be used to provide comprehensive preformulation characterization of a macromolecule's higher-order structural integrity and conformational stability. In its most common mode, it represents a type of stimulus-response diagram using environmental variables such as temperature, pH, and ionic strength as the stimulus, with alterations in macromolecular structure being the response. Until now, EPD analysis has not been available in a high-throughput mode because of the large number of experimental techniques and environmental stressor/stabilizer variables typically employed. A new instrument has been developed that combines circular dichroism, ultraviolet absorbance, fluorescence spectroscopy, and light scattering in a single unit with a six-position, temperature-controlled cuvette turret. Using this multifunctional instrument and a new software system, we have generated EPDs for four model proteins. Results confirm the reproducibility of the apparent phase boundaries and protein behavior within the boundaries. This new approach permits two EPDs to be generated per day using only 0.5 mg of protein per EPD. Thus, the new methodology generates reproducible EPDs in high-throughput mode and represents the next step in making such determinations more routine. Copyright © 2012 Wiley Periodicals, Inc.
Investigating the conformational stability of prion strains through a kinetic replication model.
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Mattia Zampieri
2009-07-01
Full Text Available Prion proteins are known to misfold into a range of different aggregated forms, showing different phenotypic and pathological states. Understanding strain specificities is an important problem in the field of prion disease. Little is known about which PrP(Sc structural properties and molecular mechanisms determine prion replication, disease progression and strain phenotype. The aim of this work is to investigate, through a mathematical model, how the structural stability of different aggregated forms can influence the kinetics of prion replication. The model-based results suggest that prion strains with different conformational stability undergoing in vivo replication are characterizable in primis by means of different rates of breakage. A further role seems to be played by the aggregation rate (i.e. the rate at which a prion fibril grows. The kinetic variability introduced in the model by these two parameters allows us to reproduce the different characteristic features of the various strains (e.g., fibrils' mean length and is coherent with all experimental observations concerning strain-specific behavior.
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Joan Comenge
2015-03-01
Full Text Available Although nanoparticles (NPs have been traditionally modified with a single ligand layer, mixture of ligands might help to combine different functionalities and to further engineer the NP surface. A detailed study of the competition between an alkanethiol (11-mercaptoundecanoic acid and SH-PEG for the surface of AuNPs and the resultant behaviors of this model nanoconjugate is presented here. As a result, the physicochemical properties of these conjugates can be progressively tuned by controlling the composition and especially the conformation of the mixed monolayer. This has implications in the physiological stability. The controlled changes on the SH-PEG conformation rather than its concentration induce a change in the stabilization mechanism from electrostatic repulsion to steric hindrance, which changes the biological fate of NPs. Importantly, the adsorption of proteins on the conjugates can be tailored by tuning the composition and conformation of the mixed layer.
Monomeric banana lectin at acidic pH overrules conformational stability of its native dimeric form.
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Javed M Khan
Full Text Available Banana lectin (BL is a homodimeric protein categorized among jacalin-related family of lectins. The effect of acidic pH was examined on conformational stability of BL by using circular dichroism, intrinsic fluorescence, 1-anilino-8-napthalene sulfonate (ANS binding, size exclusion chromatography (SEC and dynamic light scattering (DLS. During acid denaturation of BL, the monomerization of native dimeric protein was found at pH 2.0. The elution profile from SEC showed two different peaks (59.65 ml & 87.98 ml at pH 2.0 while single peak (61.45 ml at pH 7.4. The hydrodynamic radii (R h of native BL was 2.9 nm while at pH 2.0 two species were found with R h of 1.7 and 3.7 nm. Furthermore at, pH 2.0 the secondary structures of BL remained unaltered while tertiary structure was significantly disrupted with the exposure of hydrophobic clusters confirming the existence of molten globule like state. The unfolding of BL with different subunit status was further evaluated by urea and temperature mediated denaturation to check their stability. As inferred from high Cm and ΔG values, the monomeric form of BL offers more resistance towards chemical denaturation than the native dimeric form. Besides, dimeric BL exhibited a Tm of 77°C while no loss in secondary structures was observed in monomers even up to 95°C. To the best of our knowledge, this is the first report on monomeric subunit of lectins showing more stability against denaturants than its native dimeric state.
Lawson, Alastair D G; MacCoss, Malcolm; Heer, Jag P
2017-11-28
Tackling PPIs, particularly by stabilizing clinically favored conformations of target proteins, with orally available, bona fide small molecules remains a significant but immensely worthwhile challenge for the pharmaceutical industry. Success may be more likely through the application of nature's learnings to build intrinsic rigidity into the design of clinical candidates.
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Anna Kahler
Full Text Available Amyloid-[Formula: see text] (A[Formula: see text] oligomers play a crucial role in Alzheimer's disease due to their neurotoxic aggregation properties. Fibrillar A[Formula: see text] oligomerization can lead to protofilaments and protofilament pairs via oligomer elongation and oligomer association, respectively. Small fibrillar oligomers adopt the protofilament topology, whereas fibrils contain at least protofilament pairs. To date, the underlying growth mechanism from oligomers to the mature fibril still remains to be elucidated. Here, we performed all-atom molecular dynamics simulations in explicit solvent on single layer-like protofilaments and fibril-like protofilament pairs of different size ranging from the tetramer to the 48-mer. We found that the initial U-shaped topology per monomer is maintained over time in all oligomers. The observed deviations of protofilaments from the starting structure increase significantly with size due to the twisting of the in-register parallel [Formula: see text]-sheets. This twist causes long protofilaments to be unstable and leads to a breakage. Protofilament pairs, which are stabilized by a hydrophobic interface, exhibit more fibril-like properties such as the overall structure and the twist angle. Thus, they can act as stable conformational templates for further fibril growth. Key properties like the twist angle, shape complementarity, and energetics show a size-dependent behavior so that small oligomers favor the protofilament topology, whereas large oligomers favor the protofilament pair topology. The region for this conformational transition is at the size of approximately twelve A[Formula: see text] monomers. From that, we propose the following growth mechanism from A[Formula: see text] oligomers to fibrils: (1 elongation of short protofilaments; (2 breakage of large protofilaments; (3 formation of short protofilament pairs; and (4 elongation of protofilament pairs.
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Senem Aykul
Full Text Available The Transforming Growth Factor-ß (TGFß family ligand Nodal is an essential embryonic morphogen that is associated with progression of breast and other cancers. It has therefore been suggested that Nodal inhibitors could be used to treat breast cancers where Nodal plays a defined role. As secreted antagonists, such as Cerberus, tightly regulate Nodal signaling during embryonic development, we undertook to produce human Cerberus, characterize its biochemical activities, and determine its effect on human breast cancer cells. Using quantitative methods, we investigated the mechanism of Nodal signaling, we evaluated binding of human Cerberus to Nodal and other TGFß family ligands, and we characterized the mechanism of Nodal inhibition by Cerberus. Using cancer cell assays, we examined the ability of Cerberus to suppress aggressive breast cancer cell phenotypes. We found that human Cerberus binds Nodal with high affinity and specificity, blocks binding of Nodal to its signaling partners, and inhibits Nodal signaling. Moreover, we showed that Cerberus profoundly suppresses migration, invasion, and colony forming ability of Nodal expressing and Nodal supplemented breast cancer cells. Taken together, our studies provide mechanistic insights into Nodal signaling and Nodal inhibition with Cerberus and highlight the potential value of Cerberus as anti-Nodal therapeutic.
Zhao, Liang; Kang, Le; Chen, Yan; Li, Gang; Wang, Lan; Hu, Chun; Yang, Peng
2018-03-01
A fluorescent 2,7-dimethoxy-substituted calix[4]carbazole (1) is facilely synthesized. The spectral behaviors of both the guest-induced switchable conformation of 1 and its abilities serving as the stabilizer and molecular carrier of curcumin are investigated. UV-vis, fluorescence and NMR spectral results show that upon binding to curcumin, the 1,3-alternate conformation of 1 is converted to be the cone one. The relative high association constant (6.4 × 106 M- 1) of 1 binding to curcumin enables it to stabilize the curcumin, to suppress its degradation, and to sustainably deliver it into the EYPC vesicles within 20 h. Moreover, the cytotoxicity assay shows that 1 does not interfere the antiproliferative activities of curcumin. All these properties endow 1 the potential capability of serving as the molecular drug carrier. Our current result may pave the way looking for more efficient fluorescent calixcarbazoles and thereof spectral utilities.
A nodalization study of steam separator in real time simulation
International Nuclear Information System (INIS)
Horugshyang, Lein; Luh, R.T.J.; Zen-Yow, Wang
1999-01-01
The motive of this paper is to investigate the influence of steam separator nodalization on reactor thermohydraulics in terms of stability and level response. Three different nodalizations of steam separator are studied by using THEATRE and REMARK Code in a BWR simulator. The first nodalization is the traditional one with two nodes for steam separator. In this nodalization, the steam separation is modeled in the outer node, i.e., upper downcomer. Separated steam enters the Steen dome node and the liquid goes to the feedwater node. The second nodalization is similar to the first one with the steam separation modeled in the inner node. There is one additional junction connecting steam dome node and the inner node. The liquid fallback junction connects the inner node and feedwater node. The third nodalization is a combination of the former two with an integrated node for steam separator. Boundary conditions in this study are provided by a simplified feedwater and main steam driver. For comparison purpose, three tests including full power steady state initialisation, recirculation pumps runback and reactor scram are conducted. Major parameters such as reactor pressure, reactor level, void fractions, neutronic power and junction flows are recorded for analysis. Test results clearly show that the first nodalization is stable for steady state initialisation. However it has too responsive level performance in core flow reduction transients. The second nodalization is the closest representation of real plant structure, but not the performance. Test results show that an instability occurs in the separator region for both steady state initialisation and transients. This instability is caused by an unbalanced momentum in the dual loop configuration. The magnitude of the oscillation reduces as the power decreases. No superiority to the other nodalizations is shown in the test results. The third nodalization shows both stability and responsiveness in the tests. (author)
Tsai, Jyh-Hsin Michael
obtained; the torsional band width was significantly reduced due to the decrease in solvent interactions. A series of ultraviolet absorption spectra of peroxynitrite diluted in methanol, ethanol, 1-propanol, and 2-propanol showed an apparent 7 nm red shift relative to the 302 nm characteristic peak of aqueous peroxynitrite. Semi -empirical ZINDO calculations with solvent simulation showed that the cis conformation could predict the characteristic UV peaks of peroxynitrite correctly whereas those based upon the trans conformation failed. From these experimental and theoretical studies, we propose that the stability of peroxynitrite anion in alkaline solution and nitrate crystals is related to the molecule being locked in the cis conformation. The stability of peroxynitrite anion in the cis conformation allows it to diffuse farther in biological systems. Peroxynitrite becomes far more reactive when protonated, in part by allowing the isomerization to the trans isomer. As a consequence, the conformation of peroxynitrite influences its reactivity at physiological pH.
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Monty Adkins
2014-12-01
Full Text Available This paper proposes the notion of Nodalism as a means describing contemporary culture and of understanding my own creative practice in electronic music composition. It draws on theories and ideas from Kirby, Bauman, Bourriaud, Deleuze, Guatarri, and Gochenour, to demonstrate how networks of ideas or connectionist neural models of cognitive behaviour can be used to contextualize, understand and become a creative tool for the creation of contemporary electronic music.
Nodal-line semimetals from Weyl superlattices
Behrends, Jan; Rhim, Jun-Won; Liu, Shang; Grushin, Adolfo G.; Bardarson, Jens H.
2017-12-01
The existence and topological classification of lower-dimensional Fermi surfaces is often tied to the crystal symmetries of the underlying lattice systems. Artificially engineered lattices, such as heterostructures and other superlattices, provide promising avenues to realize desired crystal symmetries that protect lower-dimensional Fermi surfaces, such as nodal lines. In this work, we investigate a Weyl semimetal subjected to spatially periodic onsite potential, giving rise to several phases, including a nodal-line semimetal phase. In contrast to proposals that purely focus on lattice symmetries, the emergence of the nodal line in this setup does not require small spin-orbit coupling, but rather relies on its presence. We show that the stability of the nodal line is understood from reflection symmetry and a combination of a fractional lattice translation and charge-conjugation symmetry. Depending on the choice of parameters, this model exhibits drumhead surface states that are exponentially localized at the surface, or weakly localized surface states that decay into the bulk at all energies.
Yu, Jibing; Wei, Xiuli; Zhang, Li; Fang, Xiaocui; Yang, Tao; Huang, Feng; Liang, Wei
2014-10-06
Proteolytic enzymes in the gut represent one of the biggest barriers against oral delivery of therapeutic proteins and peptides. In the current study, we explored the effect of poly(ethylene glycol) 400 (PEG 400), a commonly used crowding agent, on insulin degradation mediated by α-chymotrypsin (α-CT). Without PEG 400, insulin was quickly cleaved by α-CT to generate inactive degradation products. In comparison, incorporation of PEG 400 resulted in reaction mixtures with retained biological activity. The analysis on the conformation of α-CT and the local environment of the enzyme's active site unraveled that PEG 400 altered the conformation of α-CT to prevent the inactivation of insulin via stabilization of active intermediates. These findings indicated that PEG 400 may provide a promising addition toward oral delivery of insulin.
Radiotherapy studies and extra-nodal non-Hodgkin lymphomas, progress and challenges
DEFF Research Database (Denmark)
Specht, L
2012-01-01
not been carried out, and treatment decisions are made on small patient series and extrapolations from nodal lymphomas. Hopefully, wide international collaboration will make controlled clinical trials possible in the less common extra-nodal lymphomas. Modern highly conformal radiotherapy allows better...... coverage of extra-nodal lymphomatous involvement with better sparing of normal tissues. The necessary radiation doses and volumes need to be defined for the different extra-nodal lymphoma entities. The challenge is to optimise the use of radiotherapy in the modern multimodality treatment of extra...
Avoided intersections of nodal lines
International Nuclear Information System (INIS)
Monastra, Alejandro G; Smilansky, Uzy; Gnutzmann, Sven
2003-01-01
We consider real eigenfunctions of the Schroedinger operator in 2D. The nodal lines of separable systems form a regular grid, and the number of nodal crossings equals the number of nodal domains. In contrast, for wavefunctions of non-integrable systems nodal intersections are rare, and for random waves, the expected number of intersections in any finite area vanishes. However, nodal lines display characteristic avoided crossings which we study in this work. We define a measure for the avoidance range and compute its distribution for the random wave ensemble. We show that the avoidance range distribution of wavefunctions of chaotic systems follows the expected random wave distributions, whereas for wavefunctions of classically integrable but quantum non-separable systems, the distribution is quite different. Thus, the study of the avoidance distribution provides more support to the conjecture that nodal structures of chaotic systems are reproduced by the predictions of the random wave ensemble
Counterion-Induced Inversion of Conformer Stability of a [5]Helquat Dication
Czech Academy of Sciences Publication Activity Database
Severa, Lukáš; Jirásek, Michael; Švec, Pavel; Teplý, Filip; Révész, Agnes; Schröder, Detlef; Koval, Dušan; Kašička, Václav; Císařová, I.; Šaman, David
2012-01-01
Roč. 77, č. 8 (2012), s. 624-635 ISSN 2192-6506 R&D Projects: GA ČR GAP207/10/2391; GA ČR(CZ) GA203/08/1428 Institutional research plan: CEZ:AV0Z40550506 Keywords : conformers * density functional calculations * dications * helical molecules * ion pairs * mass spectrometry Subject RIV: CC - Organic Chemistry
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Jonathan Maiangwa
2017-05-01
Full Text Available The dynamics and conformational landscape of proteins in organic solvents are events of potential interest in nonaqueous process catalysis. Conformational changes, folding transitions, and stability often correspond to structural rearrangements that alter contacts between solvent molecules and amino acid residues. However, in nonaqueous enzymology, organic solvents limit stability and further application of proteins. In the present study, molecular dynamics (MD of a thermostable Geobacillus zalihae T1 lipase was performed in different chain length polar organic solvents (methanol, ethanol, propanol, butanol, and pentanol and water mixture systems to a concentration of 50%. On the basis of the MD results, the structural deviations of the backbone atoms elucidated the dynamic effects of water/organic solvent mixtures on the equilibrium state of the protein simulations in decreasing solvent polarity. The results show that the solvent mixture gives rise to deviations in enzyme structure from the native one simulated in water. The drop in the flexibility in H2O, MtOH, EtOH and PrOH simulation mixtures shows that greater motions of residues were influenced in BtOH and PtOH simulation mixtures. Comparing the root mean square fluctuations value with the accessible solvent area (SASA for every residue showed an almost correspondingly high SASA value of residues to high flexibility and low SASA value to low flexibility. The study further revealed that the organic solvents influenced the formation of more hydrogen bonds in MtOH, EtOH and PrOH and thus, it is assumed that increased intraprotein hydrogen bonding is ultimately correlated to the stability of the protein. However, the solvent accessibility analysis showed that in all solvent systems, hydrophobic residues were exposed and polar residues tended to be buried away from the solvent. Distance variation of the tetrahedral intermediate packing of the active pocket was not conserved in organic solvent
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Shubhasis Haldar
Full Text Available Viperin, an antiviral protein, has been shown to contain a CX(3CX(2C motif, which is conserved in the radical S-adenosyl-methionine (SAM enzyme family. A triple mutant which replaces these three cysteines with alanines has been shown to have severe deficiency in antiviral activity. Since the crystal structure of Viperin is not available, we have used a combination of computational methods including multi-template homology modeling and molecular dynamics simulation to develop a low-resolution predicted structure. The results show that Viperin is an α-β protein containing iron-sulfur cluster at the center pocket. The calculations suggest that the removal of iron-sulfur cluster would lead to collapse of the protein tertiary structure. To verify these predictions, we have prepared, expressed and purified four mutant proteins. In three mutants individual cysteine residues were replaced by alanine residues while in the fourth all the cysteines were replaced by alanines. Conformational analyses using circular dichroism and steady state fluorescence spectroscopy indicate that the mutant proteins are partially unfolded, conformationally unstable and aggregation prone. The lack of conformational stability of the mutant proteins may have direct relevance to the absence of their antiviral activity.
Conformal contact and pattern stability of stamps used for soft lithography
Bietsch, Alexander; Michel, Bruno
2000-10-01
Patterning in soft lithography techniques such as microcontact printing or light-coupling mask lithography is mediated by surface topographical patterns of elastomeric stamps: intimate contact with the substrate is achieved locally at the protruding areas, whereas a gap remains between the substrate and recessed zones. This principle challenges the properties of the stamp, especially when printing high-resolution or extreme aspect-ratio patterns with high accuracy. On the one hand, the stamp must be soft enough to enable conformal contact with the substrate, which means that it must adapt elastically without leaving voids created by the natural roughness of the substrate. On the other hand, a precise definition of micropatterns requires a rigid material. In this article, we analyze the conditions of elasticity, roughness, and energy of adhesion to establish conformal contact between an elastomer and the target surface. Furthermore, we address questions of replication accuracy and evaluate local elastic deformation induced by normal forces using model calculations for simple pattern geometries. Pressure applied during contact leads to a sagging or collapse of the unsupported areas. We discuss implications on both material and pattern design that allow spontaneous propagation of conformal contact while inhibiting the spreading of collapse.
Stabilizing the weak scale with conformal dynamics: A survey of model building approaches
Galloway, Jamison Robert
The Standard Model of particle physics stands as the most accurate description we have of our observed phenomena. It accommodates the experimental data collected to date, and provides an economical and predictive framework for understanding nature on small scales. The model can in fact be consistently extrapolated to the smallest length scales we can imagine, where the concept of spacetime itself is believed to require modification. As such, the Standard Model stands as a truly monumental achievement of scientific pursuits. The successes of the model, however, present some equally profound questions. The model, for instance, can in fact be extrapolated to very high scales, but only at the cost of introducing a highly unstable hierarchy. This thesis addresses the possibilities afforded by conformal field theories in addressing this problem. There are three classes of models discussed: four-dimensional composite models, five-dimensional composite models, and unparticle models. The foundations of each scenario are reviewed, and new approaches to solving some of their problems are presented. In each case, conformality plays a central role. Generically this is due to the fact that nontrivial scale dependence is at the heart of conformal field theories: we will see the common occurrence of large anomalous dimensions in strongly-coupled conformal field theories, which allow a softening of the dependence of relatively low-energy physics on unknown physics at higher energies. Finding a mechanism to achieve a stable separation of low-scale physics presents many challenges, but typically gives concrete predictions for new phenomena to be observed at the Large Hadron Collider, which recently became the world's highest energy particle accelerator. What will be revealed there in coming years is still very uncertain, so knowing in advance how each theoretical construction will be manifested physically is the immediate concern of particle physicists. The goal of this work is to
International Nuclear Information System (INIS)
Skaali, T.B.
1980-10-01
NODAL is a high level programming language based on FOCAL and SNOBOL4, with some influence from BASIC. The language was developed to operate on the computer network controlling the SPS accelerator at CERN. NODAL is an interpretive language designed for interactive use. This is the most important aspect of the language, and is reflected in its structure. The interactive facilities make it possible to write, debug and modify programs much faster than with compiler based languages like FORTRAN and ALGOL. Apart from a few minor modifications, the basic part of the Oslo University NODAL system does not differ from the CERN version. However, the Oslo University implementation has been expanded with new functions which enable the user to execute many of the SINTRAN III monitor calls from the NODAL level. In particular the most important RT monitor calls have been implemented in this way, a property which renders possible the use of NODAL as a RT program administrator. (JIW)
A study of the conformation and stability of nitroxide free radicals
International Nuclear Information System (INIS)
Briere, R.
1969-03-01
The first part of this study is an application of nuclear magnetic resonance to the determination of the sign and magnitude of the long range nuclear-electron spin-spin couplings in the free radical nitroxide derived from piperidine. It has been shown that the coupling constants of the protons γ to the nitrogen atom have a pronounced spatial dependence as do the protons in the β position, a point which has not been brought out by previous investigations. Conformational analysis of these compounds has been carried out by measurement of the effect of temperature on the NMR spectra at 310 MHz. The synthesis of di-t-Bu nitroxide labelled with C 13 in the α-position made possible the unambiguous determination of the corresponding 13 C nuclear-electron spin-spin coupling constant, a parameter which had not previously been measured. The coupling constants measured in the 2,2,6,6-tetramethyl piperidine series could then be attributed to the 13 C atoms in the β-position and their variation related to the conformations of the heterocycles. This constitutes the second part of the work reported here. The final section is devoted to a study of the decomposition of an unstable nitroxide having a hydrogen atom in the p-position. This decomposition is bimolecular and the primary isotope effect shows that the rupture. of the C-H bond is involved. From this one can conclude that a nitroxide is stable when the different groups attached to the nitrogen atom cannot give rise to a decomposition either intra molecularly, if the molecular geometry is suitable, or inter molecularly by dimerisation through attack on a different center of a neighbouring molecule thus leading to a fragmentation or a disproportionation. (author) [fr
Singh, Swapnil; Singh, Harshita; Srivastava, Anubha; Tandon, Poonam; Sinha, Kirti; Bharti, Purnima; Kumar, Sudhir; Kumar, Padam; Maurya, Rakesh
2014-11-11
In the present work, a detailed conformational study of cladrin (3-(3,4-dimethoxy phenyl)-7-hydroxychromen-4-one) has been done by using spectroscopic techniques (FT-IR/FT-Raman/UV-Vis/NMR) and quantum chemical calculations. The optimized geometry, wavenumber and intensity of the vibrational bands of the cladrin in ground state were calculated by density functional theory (DFT) employing 6-311++G(d,p) basis sets. The study has been focused on the two most stable conformers that are selected after the full geometry optimization of the molecule. A detailed assignment of the FT-IR and FT-Raman spectra has been done for both the conformers along with potential energy distribution for each vibrational mode. The observed and scaled wavenumber of most of the bands has been found to be in good agreement. The UV-Vis spectrum has been recorded and compared with calculated spectrum. In addition, 1H and 13C nuclear magnetic resonance spectra have been also recorded and compared with the calculated data that shows the inter or intramolecular hydrogen bonding. The electronic properties such as HOMO-LUMO energies were calculated by using time-dependent density functional theory. Molecular electrostatic potential has been plotted to elucidate the reactive part of the molecule. Natural bond orbital analysis was performed to investigate the molecular stability. Non linear optical property of the molecule have been studied by calculating the electric dipole moment (μ) and the first hyperpolarizability (β) that results in the nonlinearity of the molecule. Copyright © 2014 Elsevier B.V. All rights reserved.
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Ángeles Bañares-Hidalgo
Full Text Available Assembly of pulmonary surfactant lipid-protein complexes depends on conformational changes coupled with proteolytic maturation of proSP-B, the precursor of pulmonary surfactant protein B (SP-B, along the surfactant biogenesis pathway in pneumocytes. Conformational destabilization of the N-terminal propeptide of proSP-B (SP-BN triggers exposure of the mature SP-B domain for insertion into surfactant lipids. We have studied the conformational stability during GdmCl- or urea-promoted unfolding of SP-BN with trp fluorescence and circular dichroism spectroscopies. Binding of the intermediate states to bis-ANS suggests their molten globule-like character. ΔG0H2O was ~ 12.7 kJ·mol-1 either with urea or GdmCl. None of the thermal transitions of SP-BN detected by CD correspond to protein unfolding. Differential scanning calorimetry of SP-BN evidenced two endothermic peaks involved in oligomer dissociation as confirmed with 2 M urea. Ionic strength was relevant since at 150 mM NaCl, the process originating the endotherm at the highest temperature was irreversible (Tm2 = 108.5°C with an activation energy of 703.8 kJ·mol-1. At 500 mM NaCl the process became reversible (Tm2 = 114.4°C and data were fitted to the Non-two States model with two subpeaks. No free thiols in the propeptide could be titrated by DTNB with or without 5.7 M GdmCl, indicating disulfide bonds establishment.
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Matteo eLambrughi
2012-11-01
Full Text Available Cyclin-dependent kinase inhibitors (CKIs are key regulatory proteins of the eukaryotic cell cycle, which modulate cyclin-dependent kinase (Cdk activity. CKIs perform their inhibitory effect by the formation of ternary complexes with a target kinase and its cognate cyclin. These regulators generally belong to the class of intrinsically disordered proteins (IDPs, which lack a well-defined and organized three-dimensional structure in their free state, undergoing folding upon binding to specific partners. Unbound IDPs are not merely random-coil structures, but can present intrinsically folded structural units (IFSUs and collapsed conformations. These structural features can be relevant to protein function in vivo.The yeast CKI Sic1 is a 284-amino acid IDP that binds to Cdk1 in complex with the Clb5,6 cyclins, preventing phosphorylation of G1 substrates and, therefore, entrance to the S phase. Sic1 degradation, triggered by multiple phosphorylation events, promotes cell-cycle progression. Previous experimental studies pointed out a propensity of Sic1 and its isolated domains to populate both extended and compact conformations. The present contribution provides models of the compact conformations of the Sic1 kinase-inhibitory domain (KID by all-atom molecular-dynamics simulations in explicit solvent and in the absence of interactors. The results are integrated by spectroscopic and spectrometric data. Helical IFSUs are identified, along with networks of intramolecular interactions. The results identify a group of hub residues and electrostatic interactions which are likely to be involved in the stabilization of globular states.
Nodal Statistics on Quantum Graphs
Alon, Lior; Band, Ram; Berkolaiko, Gregory
2018-03-01
It has been suggested that the distribution of the suitably normalized number of zeros of Laplacian eigenfunctions contains information about the geometry of the underlying domain. We study this distribution (more precisely, the distribution of the "nodal surplus") for Laplacian eigenfunctions of a metric graph. The existence of the distribution is established, along with its symmetry. One consequence of the symmetry is that the graph's first Betti number can be recovered as twice the average nodal surplus of its eigenfunctions. Furthermore, for graphs with disjoint cycles it is proven that the distribution has a universal form—it is binomial over the allowed range of values of the surplus. To prove the latter result, we introduce the notion of a local nodal surplus and study its symmetry and dependence properties, establishing that the local nodal surpluses of disjoint cycles behave like independent Bernoulli variables.
Robust doubly charged nodal lines and nodal surfaces in centrosymmetric systems
Bzdušek, Tomáš; Sigrist, Manfred
2017-10-01
Weyl points in three spatial dimensions are characterized by a Z -valued charge—the Chern number—which makes them stable against a wide range of perturbations. A set of Weyl points can mutually annihilate only if their net charge vanishes, a property we refer to as robustness. While nodal loops are usually not robust in this sense, it has recently been shown using homotopy arguments that in the centrosymmetric extension of the AI symmetry class they nevertheless develop a Z2 charge analogous to the Chern number. Nodal loops carrying a nontrivial value of this Z2 charge are robust, i.e., they can be gapped out only by a pairwise annihilation and not on their own. As this is an additional charge independent of the Berry π -phase flowing along the band degeneracy, such nodal loops are, in fact, doubly charged. In this manuscript, we generalize the homotopy discussion to the centrosymmetric extensions of all Atland-Zirnbauer classes. We develop a tailored mathematical framework dubbed the AZ +I classification and show that in three spatial dimensions such robust and multiply charged nodes appear in four of such centrosymmetric extensions, namely, AZ +I classes CI and AI lead to doubly charged nodal lines, while D and BDI support doubly charged nodal surfaces. We remark that no further crystalline symmetries apart from the spatial inversion are necessary for their stability. We provide a description of the corresponding topological charges, and develop simple tight-binding models of various semimetallic and superconducting phases that exhibit these nodes. We also indicate how the concept of robust and multiply charged nodes generalizes to other spatial dimensions.
The two C-terminal tyrosines stabilize occluded Na/K pump conformations containing Na or K ions.
Vedovato, Natascia; Gadsby, David C
2010-07-01
Interactions of the three transported Na ions with the Na/K pump remain incompletely understood. Na/K pump crystal structures show that the extended C terminus of the Na,K-adenosine triphosphatase (ATPase) alpha subunit directly contacts transmembrane helices. Deletion of the last five residues (KETYY in almost all Na/K pumps) markedly lowered the apparent affinity for Na activation of pump phosphorylation from ATP, a reflection of cytoplasmic Na affinity for forming the occluded E1P(Na3) conformation. ATPase assays further suggested that C-terminal truncations also interfere with low affinity Na interactions, which are attributable to extracellular effects. Because extracellular Na ions traverse part of the membrane's electric field to reach their binding sites in the Na/K pump, their movements generate currents that can be monitored with high resolution. We report here electrical measurements to examine how Na/K pump interactions with extracellular Na ions are influenced by C-terminal truncations. We deleted the last two (YY) or five (KESYY) residues in Xenopus laevis alpha1 Na/K pumps made ouabain resistant by either of two kinds of point mutations and measured their currents as 10-mM ouabain-sensitive currents in Xenopus oocytes after silencing endogenous Xenopus Na/K pumps with 1 microM ouabain. We found the low affinity inhibitory influence of extracellular Na on outward Na/K pump current at negative voltages to be impaired in all of the C-terminally truncated pumps. Correspondingly, voltage jump-induced transient charge movements that reflect pump interactions with extracellular Na ions were strongly shifted to more negative potentials; this signals a several-fold reduction of the apparent affinity for extracellular Na in the truncated pumps. Parallel lowering of Na affinity on both sides of the membrane argues that the C-terminal contacts provide important stabilization of the occluded E1P(Na3) conformation, regardless of the route of Na ion entry into the
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Farah El-Turk
Full Text Available Macrophage Migration Inhibitory Factor (MIF is a key mediator of inflammatory responses and innate immunity and has been implicated in the pathogenesis of several inflammatory and autoimmune diseases. The oligomerization of MIF, more specifically trimer formation, is essential for its keto-enol tautomerase activity and probably mediates several of its interactions and biological activities, including its binding to its receptor CD74 and activation of certain signaling pathways. Therefore, understanding the molecular factors governing the oligomerization of MIF and the role of quaternary structure in modulating its structural stability and multifunctional properties is crucial for understanding the function of MIF in health and disease. Herein, we describe highly conserved intersubunit interactions involving the hydrophobic packing of the side chain of Leu46 onto the β-strand β3 of one monomer within a hydrophobic pocket from the adjacent monomer constituted by residues Arg11, Val14, Phe18, Leu19, Val39, His40, Val41, Val42, and Pro43. To elucidate the structural significance of these intersubunit interactions and their relative contribution to MIF's trimerization, structural stability and catalytic activity, we generated three point mutations where Leu46 was replaced by glycine (L46G, alanine (L46A and phenylalanine (L46F, and their structural properties, stability, oligomerization state, and catalytic activity were characterized using a battery of biophysical methods and X-ray crystallography. Our findings provide new insights into the role of the Leu46 hydrophobic pocket in stabilizing the conformational state of MIF in solution. Disrupting the Leu46 hydrophobic interaction perturbs the secondary and tertiary structure of the protein but has no effect on its oligomerization state.
International Nuclear Information System (INIS)
Oide, Katsunobu.
1982-11-01
A NODAL interpreter which works under CP/M operating system is made for microcomputers. This interpreter language named NODAL-80 has a similar structure to the NODAL of SPS, but its commands, variables, and expressions are modified to increase the flexibility of programming. NODAL-80 also uses a simple intermediate code to make the execution speed fast without imposing any restriction on the dynamic feature of NODAL language. (author)
Joglekar, Madhav M; Panaskar, Shrimant N; Chougale, Ashok D; Kulkarni, Mahesh J; Arvindekar, Akalpita U
2013-10-01
Inhibition of protein glycation is known to ameliorate secondary complications in diabetes. In the present study antiglycative properties of limonene, a natural product, were evaluated using BSA as a model protein. AMG (aminoguanidine) was used as a positive control. Measurement of total AGEs (Advanced Glycation End-products) and specific AGEs revealed that limonene could inhibit protein glycation to the extent of 56.3% and 75.1% respectively at 50 μM concentration as against 54.4% and 82.2% by AMG at 1 mM. Congo red binding and CD (Circular Dichroism) analysis revealed inhibition of α-helix to β-sheet transition wherein 18.5% β-sheet structures were observed in glycated BSA (bovine serum albumin) as against 4.9% with limonene. Glycation of protein in the presence of urea was enhanced by 18%, while in the presence of limonene it was reduced by 23% revealing the stabilizing effect of limonene. Electrophoretic mobility was similar to the normal control and a zeta potential value of -12.1 mV as against -15.1 mV in diabetic control was observed. Inhibition of glycation in limonene treated samples was confirmed through LC-MS analysis wherein AGEs such as pentosidine, CML (N(ε)-(carboxymethyl)lysine), CEL (N(ε)-(carboxyethyl)lysine), MOLD (methylglyoxal-lysine dimer) and imidazolone observed in glycated samples were absent in limonene treated samples. PatchDock studies revealed that limonene could bind to the major glycation sites IB, IIA and IIB sub domains and AMG to the IIIA sub domain. Thus limonene is a potent protein glycation inhibitor that prevents protein glycation through a novel mechanism of stabilization of protein structure through hydrophobic interactions.
Czech Academy of Sciences Publication Activity Database
Setnička, V.; Hlaváček, Jan; Urbanová, J.
2009-01-01
Roč. 15, č. 8 (2009), s. 533-539 ISSN 1075-2617 Institutional research plan: CEZ:AV0Z40550506 Keywords : cationic peptides * conformation * thermal stability * vibrational circular dichroism Subject RIV: CC - Organic Chemistry Impact factor: 1.807, year: 2009
Adeniyi, Adebayo A; Akintayo, Cecilia O; Akintayo, Emmanuel T; Conradie, Jeanet
2017-11-01
There have been constant research efforts towards the development of new and thermally stable resins, containing properties to outdoor usage, such as high quality of adhesion, as well as resistance to water and acid, amongst others. In this computational study, the spectroscopic properties were calculated, also the intramolecular electronic communication, susceptibility, as well as conformational changes in two monomers of potential resins, namely Albiziabenth oil polyetheramide (ABOPEtA) and urethanated Albiziabenth oil polyetheramide (UABOPEtA), as well as their precursor, namely hydroxylethyl albiziabenth oil amide (HEABOA). Many of these computed properties clearly show that the urethane linkage group in UABOPEtA acts as a strong electron withdrawing group, consequently causing the rest of the molecule to be more nucleophilic. This leads to an increase in the stability of UABOPEtA, as compared the rest of the molecules, as evidenced by an increase in the intramolecular energy of interaction, as well as negative values of the polarizability exaltation index (Γ). Further UABOPEtA is also associated with higher non-linear optical properties, in terms of the hyperpolarizabilities (β) and increased aromaticity, than for molecules ABOPEtA and HEABOA. The conformational folding of molecule UABOPEtA is characterized by larger values of the bisphenol-A linkage bond angle C⋯C⋯C, contrary to the angle observed in molecule ABOPEtA. This is a direct effect of hiding the urethane unit in the cleft of the folded UABOPEtA, which clearly leads to an increase in the hydrophobicity of UABOPEtA. Copyright © 2017 Elsevier Inc. All rights reserved.
Cescatti, Maura; Saverioni, Daniela; Capellari, Sabina; Tagliavini, Fabrizio; Kitamoto, Tetsuyuki; Ironside, James; Giese, Armin
2016-01-01
ABSTRACT The wide phenotypic variability of prion diseases is thought to depend on the interaction of a host genotype with prion strains that have self-perpetuating biological properties enciphered in distinct conformations of the misfolded prion protein PrPSc. This concept is largely based on indirect approaches studying the effect of proteases or denaturing agents on the physicochemical properties of PrPSc aggregates. Furthermore, most data come from studies on rodent-adapted prion strains, making current understanding of the molecular basis of strains and phenotypic variability in naturally occurring diseases, especially in humans, more limited. To fill this gap, we studied the effects of guanidine hydrochloride (GdnHCl) and heating on PrPSc aggregates extracted from 60 sporadic Creutzfeldt-Jakob disease (CJD) and 6 variant CJD brains. While denaturation curves obtained after exposure of PrPSc to increasing GdnHCl concentrations showed similar profiles among the 7 CJD types analyzed, PrPSc exposure to increasing temperature revealed significantly different and type-specific responses. In particular, MM1 and VV2, the most prevalent and fast-replicating CJD types, showed stable and highly resistant PrPSc aggregates, whereas VV1, a rare and slowly propagating type, revealed unstable aggregates that easily dissolved at low temperature. Taken together, our results indicate that the molecular interactions mediating the aggregation state of PrPSc, possibly enciphering strain diversity, are differently targeted by GdnHCl, temperature, and proteases. Furthermore, the detected positive correlation between the thermostability of PrPSc aggregates and disease transmission efficiency makes inconsistent the proposed hypothesis that a decrease in conformational stability of prions results in an increase in their replication efficiency. IMPORTANCE Prion strains are defined as infectious isolates propagating distinctive phenotypic traits after transmission to syngeneic hosts
Dolinska, Monika B; Kus, Nicole J; Farney, S Katie; Wingfield, Paul T; Brooks, Brian P; Sergeev, Yuri V
2017-01-01
Oculocutaneous albinism type 1 (OCA1) is an autosomal recessive disorder caused by mutations in the tyrosinase gene. Two subtypes of OCA1 have been described: severe OCA1A with complete absence of tyrosinase activity and less severe OCA1B with residual tyrosinase activity. Here, we characterize the recombinant human tyrosinase intramelanosomal domain and mutant variants, which mimic genetic changes in both subtypes of OCA1 patients. Proteins were prepared using site-directed mutagenesis, expressed in insect larvae, purified by chromatography, and characterized by enzymatic activities, tryptophan fluorescence, and Gibbs free energy changes. The OCA1A mutants showed very low protein expression and protein yield and are enzymatically inactive. Mutants mimicking OCA1B were biochemically similar to the wild type, but exhibited lower specific activities and protein stabilities. The results are consistent with clinical data, which indicates that OCA1A mutations inactivate tyrosinase and result in severe phenotype, while OCA1B mutations partially inactivate tyrosinase and result in OCA1B albinism. Published 2017. This article is a U.S. Government work and is in the public domain in the USA.
An in silico study of the molecular basis of B-RAF activation and conformational stability
Directory of Open Access Journals (Sweden)
Jónsdóttir Svava
2009-07-01
Full Text Available Abstract Background B-RAF kinase plays an important role both in tumour induction and maintenance in several cancers and it is an attractive new drug target. However, the structural basis of the B-RAF activation is still not well understood. Results In this study we suggest a novel molecular basis of B-RAF activation based on molecular dynamics (MD simulations of B-RAFWT and the B-RAFV600E, B-RAFK601E and B-RAFD594V mutants. A strong hydrogen bond network was identified in B-RAFWT in which the interactions between Lys601 and the well known catalytic residues Lys483, Glu501 and Asp594 play an important role. It was found that several mutations, which directly or indirectly destabilized the interactions between these residues within this network, contributed to the changes in B-RAF activity. Conclusion Our results showed that the above mechanisms lead to the disruption of the electrostatic interactions between the A-loop and the αC-helix in the activating mutants, which presumably contribute to the flipping of the activation segment to an active form. Conversely, in the B-RAFD594V mutant that has impaired kinase activity, and in B-RAFWT these interactions were strong and stabilized the kinase inactive form.
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T.S. Humani
2015-04-01
Full Text Available Nimotuzumab is a humanized monoclonal antibody (mAb, a potential anticancer against epidermal growth factor receptor (EGFRoverexpressed by glioma, head and neck, lung, ovarium, and colon cancers. The combination of its use with both external and internal beam radiotherapies showed improvement of the therapeutic effect. However, the high molecular weight slows its uptake on tumor cells. In a recent development, nimotuzumab has been fragmented and then labeled using diagnostic and therapeutic radionuclides, such as gallium-68, yttrium-90, lutetium-177, and holmium-166. In that preparation, nimotuzumab is often conditioned in various environments with variations of pH, temperature and the presence of other compounds. In this research, molecular dynamics (MD simulation have been carried out to study the CDRs conformational change of nimotuzumab due to the effect of temperature, and also steered molecular dynamics (SMD simulation to study the stability of nimotuzumab domain as a result of external forces. The simulations were performed using the Not Just Another Molecular Dynamics (NAMD program package and the analysis was performed with the Visual Molecular Dynamics (VMD program package. Based on the stability analysis of each residue on the heavy chain, the active site (CDR3 region that is at residues numbered 98 (Tryptophan and 99 (Phenylalanine has the highest conformational changes. On the light chain, the change occurs at residues numbered 1 (Aspartat, 127 (Serin, and 186 (Tyrosine; and that none of that residues is part of active site or CDRs region of the light chain. The SMD simulation was carried out by fixing the N-terminal end of the heavy chain and applying external forces to the C-terminal end. The pulling was set at a constant velocity of 0.5 Å/ps. The force peak arising at the beginning of the unfolding process is 1226 pN. This force was allegedly caused by the rupture of hydrogen bonds between the heavy chain residue VAL211 (Valine
Antony M, Steffi; Jaganathan, Maheshkumar; Dhathathreyan, Aruna
2016-08-01
Soft materials are complex macromolecular systems often exhibiting perplexing non-Newtonian viscoelastic properties, especially when the macromolecules are entangled, crowded or cross-linked. These materials are ubiquitous in the biology, food and pharma industry and have several applications in biotechnology and in the field of biosensors. Based on the length scales, topologies, flexibility and concentration, the systems behave both as liquids (viscous) and solids (elastic). Particularly, for proteins and protein-lipid systems, viscoelasticity is an important parameter because it often relates directly to stability and thermodynamic interactions of the pure biological components as well as their mixtures. Despite the large body of work that is available in solution macro-rheometry, there are still a number of issues that need to be addressed in dealing with proteins at air/fluid interfaces and with protein-polymer or protein-lipid interfaces that often exhibit very low interfacial viscosity values. Considering the important applications that they have in biopharmaceutical, biotechnological and nutraceutical industries, there is a need for developing methods that meet the following three specific issues: small volume, large dynamic range of shear rates and interfacial properties of different biomolecules. Further, the techniques that are developed should include Newtonian, shear thinning and yielding properties, which are representative of the different solution behaviors typically encountered. The review presented here is a comprehensive account of the rheological properties of different biomolecules at air/fluid and solid/fluid interfaces. It addresses the usefulness of 'viscoelasticity' of the systems at the interfaces analyzed at the molecular level that can be correlated with the microscopic material properties and touches upon some recent techniques in microrheology that are being used to measure the unusually low viscosity values sensitively. Copyright
Nodal metastasis in thyroid cancer
International Nuclear Information System (INIS)
Samuel, A.M.
1999-01-01
The biological behavior and hence the prognosis of thyroid cancer (TC) depends among other factors on the extent of spread of the disease outside the thyroid bed. This effect is controversial, especially for nodal metastasis of well differentiated thyroid carcinoma (WDC). Nodal metastasis at the time of initial diagnosis behaves differently depending on the histology, age of the patient, presence of extrathyroidal extension, and the sex of the individual. The type of the surgery, administration of 131 I and thyroxin suppression also to some extent influence the rate of recurrence and mortality. Experience has shown that it is not as innocuous as a small intrathyroidal tumor without any invasion outside the thyroid bed and due consideration should be accorded to the management strategies for handling patients with nodal metastasis
Double Helix Nodal Line Superconductor
Sun, Xiao-Qi; Lian, Biao; Zhang, Shou-Cheng
2017-10-01
Time-reversal invariant superconductors in three dimensions may contain nodal lines in the Brillouin zone, which behave as Wilson loops of 3D momentum-space Chern-Simons theory of the Berry connection. Here we study the conditions of realizing linked nodal lines (Wilson loops), which yield a topological contribution to the thermal magnetoelectric coefficient that is given by the Chern-Simons action. We find the essential conditions are the existence of torus or higher genus Fermi surfaces and spiral spin textures. We construct such a model with two torus Fermi surfaces, where a generic spin-dependent interaction leads to double-helix-like linked nodal lines as the superconductivity is developed.
"AV nodal" reentry: Part I: "AV nodal" reentry revisited
Janse, M. J.; Anderson, R. H.; McGuire, M. A.; Ho, S. Y.
1993-01-01
This review is the first of a two-part series of articles on "atrioventricular [AV] nodal reentry." The early clinical literature as well as the experimental studies are reviewed, and more recent morphologic data are presented, with the aim of clarifying whether the reentrant circuit is confined to
Newman, Michael J; Speller, Emily M; Barbé, Jérémy; Luke, Joel; Li, Meng; Li, Zhe; Wang, Zhao-Kui; Jain, Sagar M; Kim, Ji-Seon; Lee, Harrison Ka Hin; Tsoi, Wing Chung
2018-01-01
Solution-processed organic small molecule solar cells (SMSCs) have achieved efficiency over 11%. However, very few studies have focused on their stability under illumination and the origin of the degradation during the so-called burn-in period. Here, we studied the burn-in period of a solution-processed SMSC using benzodithiophene terthiophene rhodamine:[6,6]-phenyl C 71 butyric acid methyl ester (BTR:PC 71 BM) with increasing solvent vapour annealing time applied to the active layer, controlling the crystallisation of the BTR phase. We find that the burn-in behaviour is strongly correlated to the crystallinity of BTR. To look at the possible degradation mechanisms, we studied the fresh and photo-aged blend films with grazing incidence X-ray diffraction, UV-vis absorbance, Raman spectroscopy and photoluminescence (PL) spectroscopy. Although the crystallinity of BTR affects the performance drop during the burn-in period, the degradation is found not to originate from the crystallinity changes of the BTR phase, but correlates with changes in molecular conformation - rotation of the thiophene side chains, as resolved by Raman spectroscopy which could be correlated to slight photobleaching and changes in PL spectra.
Yu, Yanhao; Zhang, Zheng; Yin, Xin; Kvit, Alexander; Liao, Qingliang; Kang, Zhuo; Yan, Xiaoqin; Zhang, Yue; Wang, Xudong
2017-06-01
Black silicon (b-Si) is a surface-nanostructured Si with extremely efficient light absorption capability and is therefore of interest for solar energy conversion. However, intense charge recombination and low electrochemical stability limit the use of b-Si in photoelectrochemical solar-fuel production. Here we report that a conformal, ultrathin, amorphous TiO2 film deposited by low-temperature atomic layer deposition (ALD) on top of b-Si can simultaneously address both of these issues. Combined with a Co(OH)2 thin film as the oxygen evolution catalyst, this b-Si/TiO2/Co(OH)2 heterostructured photoanode was able to produce a saturated photocurrent density of 32.3 mA cm-2 at an external potential of 1.48 V versus reversible reference electrode (RHE) in 1 M NaOH electrolyte. The enhanced photocurrent relative to planar Si and unprotected b-Si photoelectrodes was attributed to the enhanced charge separation efficiency as a result of the effective passivation of defective sites on the b-Si surface. The 8-nm ALD TiO2 layer extends the operational lifetime of b-Si from less than half an hour to four hours.
Nodal in computerized control systems of accelerators
International Nuclear Information System (INIS)
Kagarmanov, A.A.; Koval'tsov, V.I.; Korobov, S.A.
1994-01-01
Brief description of the Nodal language programming structure is presented. Its possibilities as high-level programming language for accelerator control systems are considered. The status of the Nodal language in the HEPI is discussed. 3 refs
A variational synthesis nodal discrete ordinates method
International Nuclear Information System (INIS)
Favorite, J.A.; Stacey, W.M.
1999-01-01
A self-consistent nodal approximation method for computing discrete ordinates neutron flux distributions has been developed from a variational functional for neutron transport theory. The advantage of the new nodal method formulation is that it is self-consistent in its definition of the homogenized nodal parameters, the construction of the global nodal equations, and the reconstruction of the detailed flux distribution. The efficacy of the method is demonstrated by two-dimensional test problems
Khoshaman, Kazem; Yousefi, Reza; Niazi, Ali; Oryan, Ahmad; Moosavi-Movahedi, Ali Akbar; Kurganov, Boris I
2018-03-01
Arginine 54 (R54) in αA-Crystallin (αA-Cry) is highly conserved within different species. Recently, three missense mutations at this hot spot position have been reported to cause congenital cataract disorders. To investigate the impact of charge on structural and functional aspects of αA-Cry, R54 was individually substituted with lysine and aspartate. Replacement of R54 with the positively and negatively charged residues led to structural alteration and reduction in the protein conformational and proteolytic stability. Also, these mutations resulted in important increase in the amyloidogenic propensity of αA-Cry. Additionally, all these changes were more pronounced upon R54D mutation. Keeping the positive charge by R54K mutation, the structural integrity and stability of αA-Cry were partially preserved. Our results suggest that arginine 54 may also participate in salt bridge formation and conformational stabilization of αA-Cry. Also, it seems that unique physicochemical properties of arginine 54 may have a prominent role in the structural integrity, conformational stability and functional aspects of human αA-Cry.
Goyal, Bhupesh; Srivastava, Kinshuk Raj; Durani, Susheel
2017-06-01
Protein folding problem remains a formidable challenge as main chain, side chain and solvent interactions remain entangled and have been difficult to resolve. Alanine-based short peptides are promising models to dissect protein folding initiation and propagation structurally as well as energetically. The effect of N-terminal diproline and charged side chains is assessed on the stabilization of helical conformation in alanine-based short peptides using circular dichroism (CD) with water and methanol as solvent. A1 (Ac-Pro-Pro-Ala-Lys-Ala-Lys-Ala-Lys-Ala-NH 2 ) is designed to assess the effect of N-terminal homochiral diproline and lysine side chains to induce helical conformation. A2 (Ac-Pro-Pro-Glu-Glu-Ala-Ala-Lys-Lys-Ala-NH 2 ) and A3 (Ac-dPro-Pro-Glu-Glu-Ala-Ala-Lys-Lys-Ala-NH 2 ) with N-terminal homochiral and heterochiral diproline, respectively, are designed to assess the effect of Glu...Lys (i, i + 4) salt bridge interactions on the stabilization of helical conformation. The CD spectra of A1, A2 and A3 in water manifest different amplitudes of the observed polyproline II (PPII) signals, which indicate different conformational distributions of the polypeptide structure. The strong effect of solvent substitution from water to methanol is observed for the peptides, and CD spectra in methanol evidence A2 and A3 as helical folds. Temperature-dependent CD spectra of A1 and A2 in water depict an isodichroic point reflecting coexistence of two conformations, PPII and β-strand conformation, which is consistent with the previous studies. The results illuminate the effect of N-terminal diproline and charged side chains in dictating the preferences for extended-β, semi-extended PPII and helical conformation in alanine-based short peptides. The results of the present study will enhance our understanding on stabilization of helical conformation in short peptides and hence aid in the design of novel peptides with helical structures. Copyright © 2017 European Peptide
Directory of Open Access Journals (Sweden)
Erlinda Fernández
Full Text Available Recombinant virus-like particles (VLP antigenically similar to rabbit hemorrhagic disease virus (RHDV were recently expressed at high levels inside Pichia pastoris cells. Based on the potential of RHDV VLP as platform for diverse vaccination purposes we undertook the design, development and scale-up of a production process. Conformational and stability issues were addressed to improve process control and optimization. Analyses on the structure, morphology and antigenicity of these multimers were carried out at different pH values during cell disruption and purification by size-exclusion chromatography. Process steps and environmental stresses in which aggregation or conformational instability can be detected were included. These analyses revealed higher stability and recoveries of properly assembled high-purity capsids at acidic and neutral pH in phosphate buffer. The use of stabilizers during long-term storage in solution showed that sucrose, sorbitol, trehalose and glycerol acted as useful aggregation-reducing agents. The VLP emulsified in an oil-based adjuvant were subjected to accelerated thermal stress treatments. None to slight variations were detected in the stability of formulations and in the structure of recovered capsids. A comprehensive analysis on scale-up strategies was accomplished and a nine steps large-scale production process was established. VLP produced after chromatographic separation protected rabbits against a lethal challenge. The minimum protective dose was identified. Stabilized particles were ultimately assayed as carriers of a foreign viral epitope from another pathogen affecting a larger animal species. For that purpose, a linear protective B-cell epitope from Classical Swine Fever Virus (CSFV E2 envelope protein was chemically coupled to RHDV VLP. Conjugates were able to present the E2 peptide fragment for immune recognition and significantly enhanced the peptide-specific antibody response in vaccinated pigs
Nodal surface semimetals: Theory and material realization
Wu, Weikang; Liu, Ying; Li, Si; Zhong, Chengyong; Yu, Zhi-Ming; Sheng, Xian-Lei; Zhao, Y. X.; Yang, Shengyuan A.
2018-03-01
We theoretically study the three-dimensional topological semimetals with nodal surfaces protected by crystalline symmetries. Different from the well-known nodal-point and nodal-line semimetals, in these materials, the conduction and valence bands cross on closed nodal surfaces in the Brillouin zone. We propose different classes of nodal surfaces, both in the absence and in the presence of spin-orbit coupling (SOC). In the absence of SOC, a class of nodal surfaces can be protected by space-time inversion symmetry and sublattice symmetry and characterized by a Z2 index, while another class of nodal surfaces are guaranteed by a combination of nonsymmorphic twofold screw-rotational symmetry and time-reversal symmetry. We show that the inclusion of SOC will destroy the former class of nodal surfaces but may preserve the latter provided that the inversion symmetry is broken. We further generalize the result to magnetically ordered systems and show that protected nodal surfaces can also exist in magnetic materials without and with SOC, given that certain magnetic group symmetry requirements are satisfied. Several concrete nodal-surface material examples are predicted via the first-principles calculations. The possibility of multi-nodal-surface materials is discussed.
Alsenaidy, Mohammad A; Wang, Tingting; Kim, Jae Hyun; Joshi, Sangeeta B; Lee, Jihun; Blaber, Michael; Volkin, David B; Middaugh, C Russell
2012-03-01
Acidic fibroblast growth factor-1 (FGF-1) is an angiogenic protein which requires binding to a polyanion such as heparin for its mitogenic activity and physicochemical stability. To evaluate the extent to which this heparin dependence on solution stability could be reduced or eliminated, the structural integrity and conformational stability of 10 selected FGF-1 mutants were examined as a function of solution pH and temperature by a series of spectroscopic methods including circular dichroism, intrinsic and extrinsic fluorescence spectroscopy and static light scattering. The biophysical data were summarized in the form of colored empirical phase diagrams (EPDs). FGF-1 mutants were identified with stability profiles in the absence of heparin comparable to that of wild-type FGF-1 in the presence of heparin while still retaining their biological activity. In addition, a revised version of the EPD methodology was found to provide an information rich, high throughput approach to compare the effects of mutations on the overall conformational stability of proteins in terms of their response to environmental stresses such as pH and temperature. Copyright © 2011 The Protein Society.
Helal, Mustafa R; Yousef, Yaser A; Afaneh, Akef T
2002-07-30
HF, MP2, and B3LYP calculations with different basis sets have been used in the computation of the stabilization energies of C(3)H(7)X isomers, where X is F, Cl, and Br. The experimental stabilization energies of the structural isomers of C(3)H(7)Cl and C(3)H(7)Br have been reproduced via B3LYP calculations. However, the calculated stabilization energies of fluoropropane isomers from their reported enthalpies of formation have been reproduced in all methods of calculations in present work. The experimental relative stabilities of the gauche conformers of 1-fluoro-, 1-chloro-, and 1-bromopropanes have been also reproduced via some of the used calculations in the present work. The effect of the geminal interactions on X atomic charges and on the C-X and C-C bond lengths in halopropane isomers are also discussed. Copyright 2002 Wiley Periodicals, Inc.
International Nuclear Information System (INIS)
Al-Chalabi, R.M.; Turinsky, P.J.; Faure, F.-X.; Sarsour, H.N.; Engrand, P.R.
1993-01-01
The NESTLE nodal kinetics code has been developed for utilization as a stand-alone code for steady-state and transient reactor neutronic analysis and for incorporation into system transient codes, such as TRAC and RELAP. The latter is desirable to increase the simulation fidelity over that obtained from currently employed zero- and one-dimensional neutronic models and now feasible due to advances in computer performance and efficiency of nodal methods. As a stand-alone code, requirements are that it operate on a range of computing platforms from memory-limited personal computers (PCs) to supercomputers with vector processors. This paper summarizes the features of NESTLE that reflect the utilization and requirements just noted
Variational nodal transport perturbation theory
International Nuclear Information System (INIS)
Laurin-Kovitz, K.F.; Lewis, E.E.
1996-01-01
A perturbation method based on the variational nodal method for solving the neutron transport equation is developed for multidimensional geometries. The method utilizes the solution of the corresponding adjoint transport equation to calculate changes in the critical eigenvalue due to cross-section changes. Both first-order and exact perturbation theory expressions are derived. The adjoint solution algorithm has been formulated and incorporated into the variational nodal option of the Argonne National Laboratory DIF3D production code. To demonstrate the efficacy of the methods, perturbation calculations are performed on the three-dimensional Takeda benchmark problems in both Cartesian and hexagonal geometries. The resulting changes in eigenvalue are also obtained by direct calculation with the variational nodal method and compared with the change approximated by the first-order and exact theory expressions from the perturbation method. Exact perturbation results are in excellent agreement with the actual eigenvalue differences calculated in VARIANT. First-order theory holds well for sufficiently small perturbations. The times required for the perturbation calculations are small compared with those expended for the base-forward and adjoint calculations
Blais, Normand; Gagné, Martin; Hamuro, Yoshitomo; Rheault, Patrick; Boyer, Martine; Steff, Ann-Muriel; Baudoux, Guy; Dewar, Vincent; Demers, Josée; Ruelle, Jean-Louis; Martin, Denis
2017-07-01
The human respiratory syncytial virus (hRSV) fusion (F) protein is considered a major target of the neutralizing antibody response to hRSV. This glycoprotein undergoes a major structural shift from the prefusion (pre-F) to the postfusion (post-F) state at the time of virus-host cell membrane fusion. Recent evidences suggest that the pre-F state is a superior target for neutralizing antibodies compared to the post-F state. Therefore, for vaccine purposes, we have designed and characterized a recombinant hRSV F protein, called Pre-F-GCN4t, stabilized in a pre-F conformation. To show that Pre-F-GCN4t does not switch to a post-F conformation, it was compared with a recombinant post-F molecule, called Post-F-XC. Pre-F-GCN4t was glycosylated and trimeric and displayed a conformational stability different from that of Post-F-XC, as shown by chemical denaturation. Electron microscopy analysis suggested that Pre-F-GCN4t adopts a lollipop-like structure. In contrast, Post-F-XC had a typical elongated conical shape. Hydrogen/deuterium exchange mass spectrometry demonstrated that the two molecules had common rigid folding core and dynamic regions and provided structural insight for their biophysical and biochemical properties and reactivity. Pre-F-GCN4t was shown to deplete hRSV-neutralizing antibodies from human serum more efficiently than Post-F-XC. Importantly, Pre-F-GCN4t was also shown to bind D25, a highly potent monoclonal antibody specific for the pre-F conformation. In conclusion, this construct presents several pre-F characteristics, does not switch to the post-F conformation, and presents antigenic features required for a protective neutralizing antibody response. Therefore, Pre-F-GCN4t can be considered a promising candidate vaccine antigen. IMPORTANCE Human respiratory syncytial virus (RSV) is a global leading cause of infant mortality and adult morbidity. The development of a safe and efficacious RSV vaccine remains an important goal. The RSV class I fusion (F
International Nuclear Information System (INIS)
Fedon-Magnaud, C.; Hennart, J.P.; Lautard, J.J.
1983-03-01
An unified formulation of non conforming finite elements with quadrature formula and simple nodal scheme is presented. The theoretical convergence is obtained for the previous scheme when the mesh is refined. Numerical tests are provided in order to bear out the theorical results
Directory of Open Access Journals (Sweden)
Laura Pirisinu
Full Text Available Although proteinacious in nature, prions exist as strains with specific self-perpetuating biological properties. Prion strains are thought to be associated with different conformers of PrP(Sc, a disease-associated isoform of the host-encoded cellular protein (PrP(C. Molecular strain typing approaches have been developed which rely on the characterization of protease-resistant PrP(Sc. However, PrP(Sc is composed not only of protease-resistant but also of protease-sensitive isoforms. The aim of this work was to develop a protocol for the molecular characterization of both, protease-resistant and protease-sensitive PrP(Sc aggregates. We first set up experimental conditions which allowed the most advantageous separation of PrP(C and PrP(Sc by means of differential centrifugation. The conformational solubility and stability assay (CSSA was then developed by measuring PrP(Sc solubility as a function of increased exposure to GdnHCl. Brain homogenates from voles infected with human and sheep prion isolates were analysed by CSSA and showed strain-specific conformational stabilities, with mean [GdnHCl](1/2 values ranging from 1.6 M for MM2 sCJD to 2.1 for scrapie and to 2.8 M for MM1/MV1 sCJD and E200K gCJD. Interestingly, the rank order of [GdnHCl](1/2 values observed in the human and sheep isolates used as inocula closely matched those found following transmission in voles, being MM1 sCJD the most resistant (3.3 M, followed by sheep scrapie (2.2 M and by MM2 sCJD (1.6 M. In order to test the ability of CSSA to characterise protease-sensitive PrP(Sc, we analysed sheep isolates of Nor98 and compared them to classical scrapie isolates. In Nor98, insoluble PrP(Sc aggregates were mainly protease-sensitive and showed a conformational stability much lower than in classical scrapie. Our results show that CSSA is able to reveal strain-specified PrP(Sc conformational stabilities of protease-resistant and protease-sensitive PrP(Sc and that it is a valuable tool
Pirisinu, Laura; Di Bari, Michele; Marcon, Stefano; Vaccari, Gabriele; D'Agostino, Claudia; Fazzi, Paola; Esposito, Elena; Galeno, Roberta; Langeveld, Jan; Agrimi, Umberto; Nonno, Romolo
2010-09-14
Although proteinacious in nature, prions exist as strains with specific self-perpetuating biological properties. Prion strains are thought to be associated with different conformers of PrP(Sc), a disease-associated isoform of the host-encoded cellular protein (PrP(C)). Molecular strain typing approaches have been developed which rely on the characterization of protease-resistant PrP(Sc). However, PrP(Sc) is composed not only of protease-resistant but also of protease-sensitive isoforms. The aim of this work was to develop a protocol for the molecular characterization of both, protease-resistant and protease-sensitive PrP(Sc) aggregates. We first set up experimental conditions which allowed the most advantageous separation of PrP(C) and PrP(Sc) by means of differential centrifugation. The conformational solubility and stability assay (CSSA) was then developed by measuring PrP(Sc) solubility as a function of increased exposure to GdnHCl. Brain homogenates from voles infected with human and sheep prion isolates were analysed by CSSA and showed strain-specific conformational stabilities, with mean [GdnHCl](1/2) values ranging from 1.6 M for MM2 sCJD to 2.1 for scrapie and to 2.8 M for MM1/MV1 sCJD and E200K gCJD. Interestingly, the rank order of [GdnHCl](1/2) values observed in the human and sheep isolates used as inocula closely matched those found following transmission in voles, being MM1 sCJD the most resistant (3.3 M), followed by sheep scrapie (2.2 M) and by MM2 sCJD (1.6 M). In order to test the ability of CSSA to characterise protease-sensitive PrP(Sc), we analysed sheep isolates of Nor98 and compared them to classical scrapie isolates. In Nor98, insoluble PrP(Sc) aggregates were mainly protease-sensitive and showed a conformational stability much lower than in classical scrapie. Our results show that CSSA is able to reveal strain-specified PrP(Sc) conformational stabilities of protease-resistant and protease-sensitive PrP(Sc) and that it is a valuable tool for
Fang, Jing; Richardson, Jason; Du, Zhimei; Zhang, Zhongqi
2016-02-16
Human therapeutic immunoglobulin gamma (IgG) molecules contain an N-glycan on each of their Fc CH2 domains. These glycans include high-mannose, hybrid, and complex types. Recombinant IgG molecules containing high-mannose glycans have been shown to clear faster in human blood, and exhibit decreased thermal stability. The molecular mechanism behind these observations, however, is not well understood. In this work, we used hydrogen/deuterium exchange combined with mass spectrometry (HDX MS), as well as proteolytic degradation under a native-like condition, to assess the impact of different glycoforms on the molecular structure and stability of recombinant IgG1 and IgG2 molecules expressed from Chinese hamster ovary cells. Our HDX MS data indicate that the conformation of these IgG molecules was indeed influenced by the glycan structure. IgG molecules containing high-mannose and hybrid glycans showed more conformational flexibility in the CH2 domain. This conclusion was further supported by the analysis of glycopeptides released from these molecules by trypsin digestion under a native-like condition. The higher CH2 conformational flexibility of IgG molecules with high-mannose and hybrid glycans contributes to their decreased thermal stability. IgG molecules containing sialylated glycans in the CH2 domain exhibited similar enzymatic degradation behavior as high-mannose glycans, suggesting decreased CH2-domain stability compared to shorter complex glycans, likely resulting from steric effect that decreased the glycan-CH2 domain interaction.
Energy Technology Data Exchange (ETDEWEB)
Datta, Supratim; Koutmos, Markos; Pattridge, Katherine A.; Ludwig, Martha L.; Matthews, Rowena G. (Michigan)
2008-07-08
B{sub 12}-dependent methionine synthase (MetH) from Escherichia coli is a large modular protein that is alternately methylated by methyltetrahydrofolate to form methylcobalamin and demethylated by homocysteine to form cob(I)alamin. Major domain rearrangements are required to allow cobalamin to react with three different substrates: homocysteine, methyltetrahydrofolate, and S-adenosyl-l-methionine (AdoMet). These same rearrangements appear to preclude crystallization of the wild-type enzyme. Disulfide cross-linking was used to lock a C-terminal fragment of the enzyme into a unique conformation. Cysteine point mutations were introduced at Ile-690 and Gly-743. These cysteine residues span the cap and the cobalamin-binding module and form a cross-link that reduces the conformational space accessed by the enzyme, facilitating protein crystallization. Here, we describe an x-ray structure of the mutant fragment in the reactivation conformation; this conformation enables the transfer of a methyl group from AdoMet to the cobalamin cofactor. In the structure, the axial ligand to the cobalamin, His-759, dissociates from the cobalamin and forms intermodular contacts with residues in the AdoMet-binding module. This unanticipated intermodular interaction is expected to play a major role in controlling the distribution of conformers required for the catalytic and the reactivation cycles of the enzyme.
DEFF Research Database (Denmark)
Zhao, Qian; Wang, Peng; Goel, Lalit
2013-01-01
The deregulation of power systems allows customers to participate in power market operation. In deregulated power systems, nodal price and nodal reliability are adopted to represent locational operation cost and reliability performance. Since contingency reserve (CR) plays an important role...... and CR allocation. Customers' nodal unit commitment risk and nodal energy interruption have been evaluated through contingency analysis. Customers' reliability cost including reserve service cost and energy interruption cost have also been evaluated....
The Nudo, Rollo, Melon codes and nodal correlations
International Nuclear Information System (INIS)
Perlado, J.M.; Aragones, J.M.; Minguez, E.; Pena, J.
1975-01-01
Analysis of nodal calculation and checking results by the reference reactor experimental data. Nudo code description, adapting experimental data to nodal calculations. Rollo, Melon codes as improvement in the cycle life calculations of albedos, mixing parameters and nodal correlations. (author)
Heterogeneous treatment in the variational nodal method
International Nuclear Information System (INIS)
Fanning, T.H.
1995-01-01
The variational nodal transport method is reduced to its diffusion form and generalized for the treatment of heterogeneous nodes while maintaining nodal balances. Adapting variational methods to heterogeneous nodes requires the ability to integrate over a node with discontinuous cross sections. In this work, integrals are evaluated using composite gaussian quadrature rules, which permit accurate integration while minimizing computing time. Allowing structure within a nodal solution scheme avoids some of the necessity of cross section homogenization, and more accurately defines the intra-nodal flux shape. Ideally, any desired heterogeneity can be constructed within the node; but in reality, the finite set of basis functions limits the practical resolution to which fine detail can be defined within the node. Preliminary comparison tests show that the heterogeneous variational nodal method provides satisfactory results even if some improvements are needed for very difficult, configurations
Tsuge, Masashi; Marushkevich, Kseniya; Räsänen, Markku; Khriachtchev, Leonid
2012-06-07
The complexes of formic acid (HCOOH, FA) with carbon dioxide are studied by infrared spectroscopy in an argon matrix. Two trans-FA···CO(2) and one cis-FA···CO(2) complexes are experimentally identified while the calculations at the MP2(full)/6-311++G(2d,2p) level of theory predict one more minimum for the cis-FA···CO(2) complex. The complex of the higher-energy conformer cis-FA with CO(2) is prepared by vibrational excitation of the ground-state trans-FA conformer combined with thermal annealing. The lifetime of the cis-FA···CO(2) complex in an argon matrix at 10 K is 2 orders of magnitude longer than that of the cis-FA monomer. This big difference is explained by the computational results which show a higher stabilization barrier for the complex. The solvation effects in solid argon are theoretically estimated and their contribution to the stabilization barriers of the higher-energy species is discussed. The relative barrier transmissions for hydrogen tunneling in the cis-FA···CO(2) complex and cis-FA monomer are in good agreement with the experimental decay rates.
Yasarawan, Nuttawisit; Thipyapong, Khajadpai; Sirichai, Somsak; Ruangpornvisuti, Vithaya
2013-09-01
Conformational stability of (+)-catechin species in water has been examined with density functional theory, associated with the polarizable continuum model (PCM) of solvation. Factors such as electron delocalization, lone-pair electron donation and intramolecular hydrogen bonding substantially contribute to the conformational stabilization. Upon deprotonation, the HOMO and LUMO energies for (+)-catechin are both elevated; the energy gaps for the deprotonated species are narrower than the energy gap for the neutral species. The preferential deprotonation occurs at the C3'-, C5-, C7- and C4'-OH groups successively. The pKa value at 9.3 predicted for the most acidic OH group agrees well with previous experimental data; however the values are overestimated for the less acidic OH groups due to limitations of the PCM for charged solutes and/or complex nature of true deprotonation pathways. Formation of hydrogen radicals should be promoted at high pH values following the bond dissociation enthalpies. Complexation of (+)-catechin with either zinc(II) or oxovanadium(IV) is favored at the 1:1 metal-to-ligand (M:L) mole ratio, with the oxovanadium(IV) complex showing higher reaction preference. At M:L = 1:2, formation of two isomeric complexes are plausible for each type of metal ion. Effects of stoichiometry and isomerism on the computational spectral features of the possibly formed metal complexes have been described.
Directory of Open Access Journals (Sweden)
Paulina Miernikiewicz
Full Text Available Understanding the biological activity of bacteriophage particles is essential for rational design of bacteriophages with defined pharmacokinetic parameters and to identify the mechanisms of immunobiological activities demonstrated for some bacteriophages. This work requires highly purified preparations of the individual phage structural proteins, possessing native conformation that is essential for their reactivity, and free of incompatible biologically active substances such as bacterial lipopolysaccharide (LPS. In this study we describe expression in E. coli and purification of four proteins forming the surface of the bacteriophage T4 head: gp23, gp24, gphoc and gpsoc. We optimized protein expression using a set of chaperones for effective production of soluble proteins in their native conformations. The assistance of chaperones was critical for production of soluble gp23 (chaperone gp31 of T4 phage and of gpsoc (chaperone TF of E. coli. Phage head proteins were purified in native conditions by affinity chromatography and size-exclusion chromatography. Two-step LPS removal allowed immunological purity grade with the average endotoxin activity less than 1 unit per ml of protein preparation. The secondary structure and stability of the proteins were studied using circular dichroism (CD spectrometry, which confirmed that highly purified proteins preserve their native conformations. In increasing concentration of a denaturant (guanidine hydrochloride, protein stability was proved to increase as follows: gpsoc, gp23, gphoc. The denaturation profile of gp24 protein showed independent domain unfolding with the most stable larger domain. The native purified recombinant phage proteins obtained in this work were shown to be suitable for immunological experiments in vivo and in vitro.
Directory of Open Access Journals (Sweden)
Alline Artigiani Lima Tribst
Full Text Available High pressure homogenization (HPH is a non-thermal method, which has been employed to change the activity and stability of biotechnologically relevant enzymes. This work investigated how HPH affects the structural and functional characteristics of a glucose oxidase (GO from Aspergillus niger. The enzyme was homogenized at 75 and 150 MPa and the effects were evaluated with respect to the enzyme activity, stability, kinetic parameters and molecular structure. The enzyme showed a pH-dependent response to the HPH treatment, with reduction or maintenance of activity at pH 4.5-6.0 and a remarkable activity increase (30-300% at pH 6.5 in all tested temperatures (15, 50 and 75°C. The enzyme thermal tolerance was reduced due to HPH treatment and the storage for 24 h at high temperatures (50 and 75°C also caused a reduction of activity. Interestingly, at lower temperatures (15°C the activity levels were slightly higher than that observed for native enzyme or at least maintained. These effects of HPH treatment on function and stability of GO were further investigated by spectroscopic methods. Both fluorescence and circular dichroism revealed conformational changes in the molecular structure of the enzyme that might be associated with the distinct functional and stability behavior of GO.
Balachandran, V.; Parimala, K.
This study is a comparative analysis of FT-IR and FT-Raman spectra of vanillin (3-methoxy-4-hydroxybenzaldehyde) and isovanillin (3-hydroxy-4-methoxybenzaldehyde). The molecular structure, vibrational wavenumbers, infrared intensities, Raman scattering activities were calculated for both molecules using the B3LYP density functional theory (DFT) with the standard 6-311++G∗∗ basis set. The computed values of frequencies are scaled using multiple scaling factors to yield good coherence with the observed values. The calculated harmonic vibrational frequencies are compared with experimental FT-IR and FT-Raman spectra. The geometrical parameters and total energies of vanillin and isovanillin were obtained for all the eight conformers (a-h) from DFT/B3LYP method with 6-311++G∗∗ basis set. The computational results identified the most stable conformer of vanillin and isovanillin as in the "a" form. Non-linear properties such as electric dipole moment (μ), polarizability (α), and hyperpolarizability (β) values of the investigated molecules have been computed using B3LYP quantum chemical calculation. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecules.
Energy Technology Data Exchange (ETDEWEB)
Seol, Ki Ho; Lee, Jeong Eun [Dept. of Radiation Oncology, Kyungpook National University School of Medicine, Daegu (Korea, Republic of)
2016-03-15
To evaluate the patterns of nodal failure after radiotherapy (RT) with the reduced volume approach for elective neck nodal irradiation (ENI) in nasopharyngeal carcinoma (NPC). Fifty-six NPC patients who underwent definitive chemoradiotherapy with the reduced volume approach for ENI were reviewed. The ENI included retropharyngeal and level II lymph nodes, and only encompassed the echelon inferior to the involved level to eliminate the entire neck irradiation. Patients received either moderate hypofractionated intensity-modulated RT for a total of 72.6 Gy (49.5 Gy to elective nodal areas) or a conventional fractionated three-dimensional conformal RT for a total of 68.4-72 Gy (39.6-45 Gy to elective nodal areas). Patterns of failure, locoregional control, and survival were analyzed. The median follow-up was 38 months (range, 3 to 80 months). The out-of-field nodal failure when omitting ENI was none. Three patients developed neck recurrences (one in-field recurrence in the 72.6 Gy irradiated nodal area and two in the elective irradiated region of 39.6 Gy). Overall disease failure at any site developed in 11 patients (19.6%). Among these, there were six local failures (10.7%), three regional failures (5.4%), and five distant metastases (8.9%). The 3-year locoregional control rate was 87.1%, and the distant failure-free rate was 90.4%; disease-free survival and overall survival at 3 years was 80% and 86.8%, respectively. No patient developed nodal failure in the omitted ENI site. Our investigation has demonstrated that the reduced volume approach for ENI appears to be a safe treatment approach in NPC.
Twisted vector bundles on pointed nodal curves
Indian Academy of Sciences (India)
Abstract. Motivated by the quest for a good compactification of the moduli space of -bundles on a nodal curve we establish a striking relationship between Abramovich's and Vistoli's twisted bundles and Gieseker vector bundles.
Sensitivity of SBLOCA analysis to model nodalization
International Nuclear Information System (INIS)
Lee, C.; Ito, T.; Abramson, P.B.
1983-01-01
The recent Semiscale test S-UT-8 indicates the possibility for primary liquid to hang up in the steam generators during a SBLOCA, permitting core uncovery prior to loop-seal clearance. In analysis of Small Break Loss of Coolant Accidents with RELAP5, it is found that resultant transient behavior is quite sensitive to the selection of nodalization for the steam generators. Although global parameters such as integrated mass loss, primary inventory and primary pressure are relatively insensitive to the nodalization, it is found that the predicted distribution of inventory around the primary is significantly affected by nodalization. More detailed nodalization predicts that more of the inventory tends to remain in the steam generators, resulting in less inventory in the reactor vessel and therefore causing earlier and more severe core uncovery
Twisted Vector Bundles on Pointed Nodal Curves
Indian Academy of Sciences (India)
Abstract. Motivated by the quest for a good compactification of the moduli space of -bundles on a nodal curve we establish a striking relationship between Abramovich's and Vistoli's twisted bundles and Gieseker vector bundles.
Aircraft Nodal Data Acquisition System (ANDAS) Project
National Aeronautics and Space Administration — Development of an Aircraft Nodal Data Acquisition System (ANDAS) based upon the short haul Zigbee networking standard is proposed. It employs a very thin (135 um)...
Aircraft Nodal Data Acquisition System (ANDAS) Project
National Aeronautics and Space Administration — Development of an Aircraft Nodal Data Acquisition System (ANDAS) is proposed. The proposed methodology employs the development of a very thin (135m) hybrid...
Origins and fundamentals of nodal aberration theory
Rogers, John R.
2017-11-01
Nodal Aberration Theory, developed by Kevin Thompson and Roland Shack, predicts several important aberration phenomena but remains poorly understood. To de-mystify the theory, we describe the origins and fundamental concepts of the theory.
Nodal coupling by response matrix principles
International Nuclear Information System (INIS)
Ancona, A.; Becker, M.; Beg, M.D.; Harris, D.R.; Menezes, A.D.; VerPlanck, D.M.; Pilat, E.
1977-01-01
The response matrix approach has been used in viewing a reactor node in isolation and in characterizing the node by reflection and trans-emission factors. These are then used to generate invariant imbedding parameters, which in turn are used in a nodal reactor simulator code to compute core power distributions in two and three dimensions. Various nodal techniques are analyzed and converted into a single invariant imbedding formalism
International Nuclear Information System (INIS)
Crowley-Milling, M.C.; Shering, G.C.
1978-01-01
A comprehensive description is given of the NODAL system used for computer control of the CERN Super-Proton Synchrotron. Details are given of NODAL, a high-level programming language based on FOCAL and SNOBOL4, designed for interactive use. It is shown how this interpretive language is used with a network of computers and how it can be extended by adding machine-code modules. The report updates and replaces an earlier one published in 1974. (Auth.)
Nodal signalling determines biradial asymmetry in Hydra.
Watanabe, Hiroshi; Schmidt, Heiko A; Kuhn, Anne; Höger, Stefanie K; Kocagöz, Yigit; Laumann-Lipp, Nico; Ozbek, Suat; Holstein, Thomas W
2014-11-06
In bilaterians, three orthogonal body axes define the animal form, with distinct anterior-posterior, dorsal-ventral and left-right asymmetries. The key signalling factors are Wnt family proteins for the anterior-posterior axis, Bmp family proteins for the dorsal-ventral axis and Nodal for the left-right axis. Cnidarians, the sister group to bilaterians, are characterized by one oral-aboral body axis, which exhibits a distinct biradiality of unknown molecular nature. Here we analysed the biradial growth pattern in the radially symmetrical cnidarian polyp Hydra, and we report evidence of Nodal in a pre-bilaterian clade. We identified a Nodal-related gene (Ndr) in Hydra magnipapillata, and this gene is essential for setting up an axial asymmetry along the main body axis. This asymmetry defines a lateral signalling centre, inducing a new body axis of a budding polyp orthogonal to the mother polyp's axis. Ndr is expressed exclusively in the lateral bud anlage and induces Pitx, which encodes an evolutionarily conserved transcription factor that functions downstream of Nodal. Reminiscent of its function in vertebrates, Nodal acts downstream of β-Catenin signalling. Our data support an evolutionary scenario in which a 'core-signalling cassette' consisting of β-Catenin, Nodal and Pitx pre-dated the cnidarian-bilaterian split. We presume that this cassette was co-opted for various modes of axial patterning: for example, for lateral branching in cnidarians and left-right patterning in bilaterians.
Magnonic triply-degenerate nodal points
Owerre, S. A.
2017-12-01
We generalize the concept of triply-degenerate nodal points to non-collinear antiferromagnets. Here, we introduce this concept to insulating quantum antiferromagnets on the decorated honeycomb lattice, with spin-1 bosonic quasiparticle excitations known as magnons. We demonstrate the existence of magnonic surface states with constant energy contours that form pairs of magnonic arcs connecting the surface projection of the magnonic triple nodal points. The quasiparticle excitations near the triple nodal points represent three-component bosons beyond that of magnonic Dirac, Weyl, and nodal-line cases. They can be regarded as a direct reflection of the intrinsic spin carried by magnons. Furthermore, we show that the magnonic triple nodal points can split into magnonic Weyl points, as the system transits from a non-collinear spin structure to a non-coplanar one with a non-zero scalar spin chirality. Our results not only apply to insulating antiferromagnets, but also provide a platform to seek for triple nodal points in metallic antiferromagnets.
International Nuclear Information System (INIS)
Jerzmanowski, A.; Krezel, A.M.
1986-01-01
To elucidate the intramolecular localization of irreversible interphase phosphorylation of Physarum histone H1 and its effect on H1,s conformational properties, the circular dichroism spectra, the pH- and salt-dependent folding, and the products of trypsin digestion for the interphase phosphorylated (with five to nine phosphates per molecule) and enzymatically dephosphorylated H1 were compared. Both phosphorylated and dephosphorylated H1 show similar amounts of helicity at high ionic strength and upon limited digestion with trysin form identical trypsin-resistant peptides of the size slightly larger than the analogous peptide from calf thymus H1. The circular dichroism analysis of the pH-dependent folding of Physarum H1 in water shows a strong effect of phosphorylation on the folding process in both the acidic and alkaline pH region. The analysis of the products of trypsin digestion of [ 32 P] PO 4 -labeled Physarum H1 before and after enzymatic dephosphorylation is consistent with the interpretation that the interphase phosphorylation occurs predominantly within the 50-70 amino acid sequence directly adjacent to the trypsin-resistant peptide on its C-terminal side and that this sequence is itself involved in some kind of loose folding at high ionic strength. The studies of the formation of the trypsin-resistant peptide (the globular domain) as a function of salt concentration show that it is induced at 300 mM lower NaCl concentration for phosphorylated than for dephosphorylated H1. These results indicate that the stable, interphase phosphorylation of Physarum H1 enhances the salt-induced formation of the folded globular region in vitro. This conclusion together with the finding that only nonphosphorylated H1 occurs in the DNase I solubilized fraction of Physarum chromatin may be relevant for a mechanism of chromatin activation in Physarum
"AV nodal" reentry: Part II: AV nodal, AV junctional, or atrionodal reentry?
McGuire, M. A.; Janse, M. J.; Ross, D. L.
1993-01-01
The classical model of "atrioventricular (AV) nodal" reentrant tachycardia suggests that the reentrant circuit is entirely within the compact AV node and that AV nodal tissue is present proximal and distal to the circuit. Recent evidence from mapping studies and from examination of the effects of
Directory of Open Access Journals (Sweden)
Kritika Singh
Full Text Available Wheat α-amylase, a multi-domain protein with immense industrial applications, belongs to α+β class of proteins with native molecular mass of 32 kDa. In the present study, the pathways leading to denaturation and the relevant unfolded states of this multi-domain, robust enzyme from wheat were discerned under the influence of temperature, pH and chemical denaturants. The structural and functional aspects along with thermodynamic parameters for α-amylase unfolding were probed and analyzed using fluorescence, circular dichroism and enzyme assay methods. The enzyme exhibited remarkable stability up to 70°C with tendency to aggregate at higher temperature. Acid induced unfolding was also incomplete with respect to the structural content of the enzyme. Strong ANS binding at pH 2.0 suggested the existence of a partially unfolded intermediate state. The enzyme was structurally and functionally stable in the pH range 4.0-9.0 with 88% recovery of hydrolytic activity. Careful examination of biophysical properties of intermediate states populated in urea and GdHCl induced denaturation suggests that α-amylase unfolding undergoes irreversible and non-coincidental cooperative transitions, as opposed to previous reports of two-state unfolding. Our investigation highlights several structural features of the enzyme in relation to its catalytic activity. Since, α-amylase has been comprehensively exploited for use in a range of starch-based industries, in addition to its physiological significance in plants and animals, knowledge regarding its stability and folding aspects will promote its biotechnological applications.
DEFF Research Database (Denmark)
Ryttov, Thomas; Sannino, Francesco
2010-01-01
fixed point. As a consistency check we recover the previously investigated conformal windows bounds when restricting to a single matter representation. The earlier conformal windows can be imagined to be part now of the new conformal house. We predict the nonperturbative anomalous dimensions...... at the infrared fixed points. We further investigate the effects of adding mass terms to the condensates on the conformal house chiral dynamics and construct the simplest instanton induced effective Lagrangian terms....
Directory of Open Access Journals (Sweden)
Ee Li
Full Text Available Flocculation is an attractive property for Saccaromyces cerevisiae, which plays important roles in fermentation industry and environmental remediation. The process of flocculation is mediated by a family of cell surface flocculins. As one member of flocculins, Flo1 is characterized by four families of repeats (designated as repeat units A, B, C and D in the central domain. It is generally accepted that variation of repeat unit A in length in Flo1 influences the degree of flocculation or specificity for sugar recognization. However, no reports were observed for other repeat units. Here, we compared the flocculation ability and its sensitivity to environmental factors between yeast strain YSF1 carrying the intact FLO1 gene and yeast strains carrying the derived forms of FLO1 with partial or complete deletion of repeats in unit C. No obvious differences in flocculation ability and specificity of carbohydrate recognition were observed among these yeast strains, which indicates the truncated flocculins can stride across the cell wall and cluster the N-terminal domain on the surface of yeast cells as the intact Flo1 thereby improving intercellular binding. However, yeast strains with the truncated flocculins required more mannose to inhibit completely the flocculation, displayed broad tolerance of flocculation to pH fluctuation, and the fewer the repeats in unit C, the stronger adaptability of flocculation to pH change, which was not relevant to the position of deletion. This suggests that more stable active conformation is obtained for flocculin by deletion the repeat unit C in the central domain of Flo1, which was validated further by the higher hydrophobicity on the surface of cells of YSF1c with complete deletion of unit C under neutral and alkaline conditions and the stabilization of GFP conformation by fusion with flocculin with complete deletion of unit C in the central domain.
Counting nodal domains on surfaces of revolution
International Nuclear Information System (INIS)
Karageorge, Panos D; Smilansky, Uzy
2008-01-01
We consider eigenfunctions of the Laplace-Beltrami operator on special surfaces of revolution. For this separable system, the nodal domains of the (real) eigenfunctions form a checkerboard pattern, and their number ν n is proportional to the product of the angular and the 'surface' quantum numbers. Arranging the wavefunctions by increasing values of the Laplace-Beltrami spectrum, we obtain the nodal sequence, whose statistical properties we study. In particular, we investigate the distribution of the normalized counts ν n /n for sequences of eigenfunctions with K ≤ n ≤ K + ΔK, where K, ΔK element of N. We show that the distribution approaches a limit as K, ΔK → ∞ (the classical limit), and study the leading corrections in the semi-classical limit. With this information, we derive the central result of this work: the nodal sequence of a mirror-symmetric surface is sufficient to uniquely determine its shape (modulo scaling)
Resection of thymoma should include nodal sampling.
Weksler, Benny; Pennathur, Arjun; Sullivan, Jennifer L; Nason, Katie S
2015-03-01
Thymoma is best treated by surgical resection; however, no clear guidelines have been created regarding lymph node sampling at the time of resection. Additionally, the prognostic implications of nodal metastases are unclear. The aim of this study was to analyze the prognostic implications of nodal metastases in thymoma. The Surveillance, Epidemiology, and End Results database was queried for patients who underwent surgical resection of thymoma with documented pathologic examination of lymph nodes. The impact of nodal status on survival and thymoma staging was examined. We identified 442 patients who underwent thymoma resection with pathologic evaluation of 1 or more lymph nodes. A median of 2 nodes were sampled per patient. Fifty-nine patients (59 of 442, 13.3%) had ≥ 1 positive node. Patients with positive nodes were younger and had smaller tumors than node-negative patients. Median survival in the node-positive patients was 98 months, compared with 144 months in node-negative patients (P = .013). In multivariable analysis, the presence of positive nodes had a significant, independent, adverse impact on survival (hazard ratio 1.945, 95% confidence interval 1.296-2.919, P = .001). The presence of nodal metastases resulted in a change in classification to a higher stage in 80% of patients, the majority from Masaoka-Koga stage III to stage IV. Nodal status seems to be an important prognostic factor in patients with thymoma. Until the prognostic significance of nodal metastases is better understood, surgical therapy for thymoma should include sampling of regional lymph nodes. Copyright © 2015 The American Association for Thoracic Surgery. Published by Elsevier Inc. All rights reserved.
Nodal Structure of the Electronic Wigner Function
DEFF Research Database (Denmark)
Schmider, Hartmut; Dahl, Jens Peder
1996-01-01
On the example of several atomic and small molecular systems, the regular behavior of nodal patterns in the electronic one-particle reduced Wigner function is demonstrated. An expression found earlier relates the nodal pattern solely to the dot-product of the position and the momentum vector......, if both arguments are large. An argument analogous to the ``bond-oscillatory principle'' for momentum densities links the nuclear framework in a molecule to an additional oscillatory term in momenta parallel to bonds. It is shown that these are visible in the Wigner function in terms of characteristic...
Energy Technology Data Exchange (ETDEWEB)
Alarcon, Emilio I.; Bueno-Alejo, Carlos J.; Noel, Christopher W.; Stamplecoskie, Kevin G. [Centre for Catalysis Research and Innovation, University of Ottawa, Department of Chemistry (Canada); Pacioni, Natalia L. [Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, INFIQC, Departamento de Quimica Organica (Argentina); Poblete, Horacio [Center for Bioinformatics and Molecular Simulations, Universidad de Talca (Chile); Scaiano, J. C., E-mail: tito@photo.chem.uottawa.ca [Centre for Catalysis Research and Innovation, University of Ottawa, Department of Chemistry (Canada)
2013-01-15
Thermally denatured human serum albumin interacts with {approx}3.0 nm spherical AgNP enhancing the fluorescence of Trp-214 at large protein/nanoparticle ratios. However, using native HSA, no changes in the emission were observed. The observation is likely due to differences between native and denatured protein packing resulting from protein corona formation. We have also found that NH{sub 2} blocking of the protein strongly affects the ability of the protein to protect AgNP from different salts/ions such as NaCl, PBS, Hank's buffer, Tris-HCl, MES, and DMEM. Additionally, AgNP can be readily prepared in aqueous solutions by a photochemical approach employing HSA as an in situ protecting agent. The role of the protein in this case is beyond that of protecting agent; thus, Ag{sup +} ions and I-2959 complexation within the protein structure also affects the efficiency of AgNP formation. Blocking NH{sub 2} in HSA modified the AgNP growth profile, surface plasmon band shape, and long-term stability suggesting that amine groups are directly involved in the formation and post-stabilization of AgNP. In particular, AgNP size and shape are extensively influenced by NH{sub 2} blocking, leading primarily to cubes and plates with sizes around 5-15 nm; in contrast, spherical monodisperse 4.0 nm AgNP are observed for native HSA. The nanoparticles prepared by this protocol are non-toxic in primary cells and have remarkable antibacterial properties. Finally, surface plasmon excitation of native HSA-AgNP promoted loss of protein conformation in just 5 min, suggesting that plasmon heating causes protein denaturation using continuous light sources such as commercial LED.
Directory of Open Access Journals (Sweden)
Alexandra Olling
2014-07-01
Full Text Available Toxin A (TcdA and B (TcdB from Clostridium difficile enter host cells by receptor-mediated endocytosis. A prerequisite for proper toxin action is the intracellular release of the glucosyltransferase domain by an inherent cysteine protease, which is allosterically activated by inositol hexaphosphate (IP6. We found that in in vitro assays, the C-terminally-truncated TcdA1–1065 was more efficient at IP6-induced cleavage compared with full-length TcdA. We hypothesized that the C-terminally-located combined repetitive oligopeptides (CROPs interact with the N-terminal part of the toxin, thereby preventing autoproteolysis. Glutathione-S-transferase (GST pull-down assays and microscale thermophoresis confirmed binding between the CROPs and the glucosyltransferase (TcdA1–542 or intermediate (TcdA1102–1847 domain of TcdA, respectively. This interaction between the N- and C-terminus was not found for TcdB. Functional assays revealed that TcdB was more susceptible to inactivation by extracellular IP6-induced cleavage. In vitro autoprocessing and inactivation of TcdA, however, significantly increased, either by acidification of the surrounding milieu or following exchange of its CROP domain by the homologous CROP domain of TcdB. Thus, TcdA CROPs contribute to the stabilization and protection of toxin conformation in addition to function as the main receptor binding domain.
Friedrich, Lucas
2017-12-29
This work presents an entropy stable discontinuous Galerkin (DG) spectral element approximation for systems of non-linear conservation laws with general geometric (h) and polynomial order (p) non-conforming rectangular meshes. The crux of the proofs presented is that the nodal DG method is constructed with the collocated Legendre-Gauss-Lobatto nodes. This choice ensures that the derivative/mass matrix pair is a summation-by-parts (SBP) operator such that entropy stability proofs from the continuous analysis are discretely mimicked. Special attention is given to the coupling between nonconforming elements as we demonstrate that the standard mortar approach for DG methods does not guarantee entropy stability for non-linear problems, which can lead to instabilities. As such, we describe a precise procedure and modify the mortar method to guarantee entropy stability for general non-linear hyperbolic systems on h/p non-conforming meshes. We verify the high-order accuracy and the entropy conservation/stability of fully non-conforming approximation with numerical examples.
Nodal yield in selective neck dissection
DEFF Research Database (Denmark)
Norling, Rikke; Therkildsen, Marianne H; Bradley, Patrick J
2013-01-01
The total lymph node yield in neck dissection is highly variable and depends on anatomical, surgical and pathological parameters. A minimum yield of six lymph nodes for a selective neck dissection (SND) as recommended in guidelines lies in the lower range of the reported clinical nodal yields...
Comparison of neutronic transport equation resolution nodal methods
International Nuclear Information System (INIS)
Zamonsky, O.M.; Gho, C.J.
1990-01-01
In this work, some transport equation resolution nodal methods are comparatively studied: the constant-constant (CC), linear-nodal (LN) and the constant-quadratic (CQ). A nodal scheme equivalent to finite differences has been used for its programming, permitting its inclusion in existing codes. Some bidimensional problems have been solved, showing that linear-nodal (LN) are, in general, obtained with accuracy in CPU shorter times. (Author) [es
This section provides information on: current laws, regulations and guidance, policy and technical guidance, project-level conformity, general information, contacts and training, adequacy review of SIP submissions
International Nuclear Information System (INIS)
Maia, M.D.
2006-01-01
It is shown that the information loss/recovery theorem based on the ADS/CFT correspondence is not consistent with the stability of the Schwarzschild or Reissner-Nordstrom black holes. Nonetheless, the conformal invariance of Yang-Mills theory points to new relativity principle compatible with quantum unitarity near those black holes
Directory of Open Access Journals (Sweden)
Nikolay Ivantchev
2013-10-01
Full Text Available Conformism was studied among 46 workers with different kinds of occupations by means of two modified scales measuring conformity by Santor, Messervey, and Kusumakar (2000 – scale for perceived peer pressure and scale for conformism in antisocial situations. The hypothesis of the study that workers’ conformism is expressed in a medium degree was confirmed partly. More than a half of the workers conform in a medium degree for taking risk, and for the use of alcohol and drugs, and for sexual relationships. More than a half of the respondents conform in a small degree for anti-social activities (like a theft. The workers were more inclined to conform for risk taking (10.9%, then – for the use of alcohol, drugs and for sexual relationships (8.7%, and in the lowest degree – for anti-social activities (6.5%. The workers who were inclined for the use of alcohol and drugs tended also to conform for anti-social activities.
Saravanan, S; Balachandran, V
2015-03-05
The experimental and theoretical study on the structures and vibrations of 4-hexylacetophenone (abbreviated as 4HAP) are presented. The FT-IR and FT-Raman spectra of the title compound have been recorded in the region 4000-400cm(-1) and 3500-100cm(-1) respectively. The molecular structures, vibrational wavenumbers, infrared intensities and Raman activities were calculated using DFT (B3LYP and LSDA) method with 6-311++G(d,p) basis set. The most stable conformer of 4HAP is identified from the computational results. The assignments of the vibrational spectra have been carried out with the aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMEF). The linear polarizability (α) and the first hyperpolarizability (βtot) values of the investigated molecule have been computed using B3LYP and LSDA with 6-311++G(d,p) basis set. Stability of the molecule arising from hyper conjugative interaction and charge transfer delocalization has been analyzed using natural bond orbital (NBO) analysis. The molecule orbital contributions are studied by density of energy states (DOSs). UV-Vis spectrum and effects of solvents have been discussed effects of solvents have been discussed and the electronic properties such as HOMO and LUMO energies were determined by time-dependent TD-DFT approach. Fukui function and Mulliken analysis on atomic charges of the title compound have been calculated. Finally, electrophilic and nucleophilic descriptors of the title molecule have been calculated. Copyright © 2014 Elsevier B.V. All rights reserved.
Quantum anomalies in nodal line semimetals
Burkov, A. A.
2018-04-01
Topological semimetals are a new class of condensed matter systems with nontrivial electronic structure topology. Their unusual observable properties may often be understood in terms of quantum anomalies. In particular, Weyl and Dirac semimetals, which have point band-touching nodes, are characterized by the chiral anomaly, which leads to the Fermi arc surface states, anomalous Hall effect, negative longitudinal magnetoresistance, and planar Hall effect. In this paper, we explore analogous phenomena in nodal line semimetals. We demonstrate that such semimetals realize a three-dimensional analog of the parity anomaly, which is a known property of two-dimensional Dirac semimetals arising, for example, on the surface of a three-dimensional topological insulator. We relate one of the characteristic properties of nodal line semimetals, namely, the drumhead surface states, to this anomaly, and derive the field theory, which encodes the corresponding anomalous response.
Lunar nodal tide in the Baltic Sea
Directory of Open Access Journals (Sweden)
Andrzej Wróblewski
2001-03-01
Full Text Available The nodal tide in the Baltic Sea was studied on the basis of the Stockholm tide-gauge readings for 1825-1984; data from the tide gauge at Swinoujscie for the same period provided comparative material. The Stockholm readings are highly accurate and are considered representative of sea levels in the whole Baltic; hence, the final computations were performed for the readings from this particular tide gauge for the period 1888-1980. The tidal amplitude obtained from measurements uncorrected for atmospheric pressure or wind field was compared with that forced only by atmospheric effects. The amplitude of the recorded nodal tide was the same as the equilibrium tide amplitude calculated for Stockholm. Calculations for equilibrium tide amplitudes were also performed for the extreme latitudes of the Baltic basin.
Symmorphic Intersecting Nodal Rings in Semiconducting Layers
Gong, Cheng; Xie, Yuee; Chen, Yuanping; Kim, Heung-Sik; Vanderbilt, David
2018-03-01
The unique properties of topological semimetals have strongly driven efforts to seek for new topological phases and related materials. Here, we identify a critical condition for the existence of intersecting nodal rings (INRs) in symmorphic crystals, and further classify all possible kinds of INRs which can be obtained in the layered semiconductors with Amm2 and Cmmm space group symmetries. Several honeycomb structures are suggested to be topological INR semimetals, including layered and "hidden" layered structures. Transitions between the three types of INRs, named as α , β , and γ type, can be driven by external strains in these structures. The resulting surface states and Landau-level structures, more complicated than those resulting from a simple nodal loop, are also discussed.
Twisted vector bundles on pointed nodal curves
Indian Academy of Sciences (India)
R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22
is an element different from the identity and u is a geometric point of U fixed by γ, then the automorphism of the fiber ηu induced by γ is not trivial. 3. An essential action of a finite group on (η,U) is called tame, if the action of on. (U → S, i) is tame. DEFINITION 2.3. Let S be a k-scheme. Let C → S be an n-pointed nodal curve ...
Acceleration of the nodal program FERM
International Nuclear Information System (INIS)
Nakata, H.
1985-01-01
Acceleration of the nodal FERM was tried by three acceleration schemes. Results of the calculations showed the best acceleration with the Tchebyshev method where the savings in the computing time were of the order of 50%. Acceleration with the Assymptotic Source Extrapoltation Method and with the Coarse-Mesh Rebalancing Method did not result in any improvement on the global computational time, although a reduction in the number of outer iterations was observed. (Author) [pt
Acceleration of the FERM nodal program
International Nuclear Information System (INIS)
Nakata, H.
1985-01-01
It was tested three acceleration methods trying to reduce the number of outer iterations in the FERM nodal program. The results obtained indicated that the Chebychev polynomial acceleration method with variable degree results in a economy of 50% in the computer time. Otherwise, the acceleration method by source asymptotic extrapolation or by zonal rebalance did not result in economy of the global computer time, however some acceleration had been verified in outer iterations. (M.C.K.) [pt
Nodal methods in numerical reactor calculations
Energy Technology Data Exchange (ETDEWEB)
Hennart, J.P. [UNAM, IIMAS, A.P. 20-726, 01000 Mexico D.F. (Mexico)]. e-mail: jean_hennart@hotmail.com; Valle, E. del [National Polytechnic Institute, School of Physics and Mathematics, Department of Nuclear Engineering, Mexico, D.F. (Mexico)
2004-07-01
The present work describes the antecedents, developments and applications started in 1972 with Prof. Hennart who was invited to be part of the staff of the Nuclear Engineering Department at the School of Physics and Mathematics of the National Polytechnic Institute. Since that time and up to 1981, several master theses based on classical finite element methods were developed with applications in point kinetics and in the steady state as well as the time dependent multigroup diffusion equations. After this period the emphasis moved to nodal finite elements in 1, 2 and 3D cartesian geometries. All the thesis were devoted to the numerical solution of the neutron multigroup diffusion and transport equations, few of them including the time dependence, most of them related with steady state diffusion equations. The main contributions were as follows: high order nodal schemes for the primal and mixed forms of the diffusion equations, block-centered finite-differences methods, post-processing, composite nodal finite elements for hexagons, and weakly and strongly discontinuous schemes for the transport equation. Some of these are now being used by several researchers involved in nuclear fuel management. (Author)
Nodal methods in numerical reactor calculations
International Nuclear Information System (INIS)
Hennart, J.P.; Valle, E. del
2004-01-01
The present work describes the antecedents, developments and applications started in 1972 with Prof. Hennart who was invited to be part of the staff of the Nuclear Engineering Department at the School of Physics and Mathematics of the National Polytechnic Institute. Since that time and up to 1981, several master theses based on classical finite element methods were developed with applications in point kinetics and in the steady state as well as the time dependent multigroup diffusion equations. After this period the emphasis moved to nodal finite elements in 1, 2 and 3D cartesian geometries. All the thesis were devoted to the numerical solution of the neutron multigroup diffusion and transport equations, few of them including the time dependence, most of them related with steady state diffusion equations. The main contributions were as follows: high order nodal schemes for the primal and mixed forms of the diffusion equations, block-centered finite-differences methods, post-processing, composite nodal finite elements for hexagons, and weakly and strongly discontinuous schemes for the transport equation. Some of these are now being used by several researchers involved in nuclear fuel management. (Author)
Directory of Open Access Journals (Sweden)
Frauendiener Jörg
2004-01-01
Full Text Available The notion of conformal infinity has a long history within the research in Einstein's theory of gravity. Today, 'conformal infinity' is related to almost all other branches of research in general relativity, from quantisation procedures to abstract mathematical issues to numerical applications. This review article attempts to show how this concept gradually and inevitably evolved from physical issues, namely the need to understand gravitational radiation and isolated systems within the theory of gravitation, and how it lends itself very naturally to the solution of radiation problems in numerical relativity. The fundamental concept of null-infinity is introduced. Friedrich's regular conformal field equations are presented and various initial value problems for them are discussed. Finally, it is shown that the conformal field equations provide a very powerful method within numerical relativity to study global problems such as gravitational wave propagation and detection.
Directory of Open Access Journals (Sweden)
Frauendiener Jörg
2000-08-01
Full Text Available The notion of conformal infinity has a long history within the research in Einstein's theory of gravity. Today, ``conformal infinity'' is related with almost all other branches of research in general relativity, from quantisation procedures to abstract mathematical issues to numerical applications. This review article attempts to show how this concept gradually and inevitably evolved out of physical issues, namely the need to understand gravitational radiation and isolated systems within the theory of gravitation and how it lends itself very naturally to solve radiation problems in numerical relativity. The fundamental concept of null-infinity is introduced. Friedrich's regular conformal field equations are presented and various initial value problems for them are discussed. Finally, it is shown that the conformal field equations provide a very powerful method within numerical relativity to study global problems such as gravitational wave propagation and detection.
The General Conformity requirements ensure that the actions taken by federal agencies in nonattainment and maintenance areas do not interfere with a state’s plans to meet national standards for air quality.
International Nuclear Information System (INIS)
2010-01-01
The conformity assessment activities involve the IRD's actions related to the CNEN regulatory processing for licensing and control of nuclear and radioactive facilities in the country. They include regulatory inspections of radiation protection
On the non-uniqueness of the nodal mathematical adjoint
International Nuclear Information System (INIS)
Müller, Erwin
2014-01-01
Highlights: • We evaluate three CMFD schemes for computing the nodal mathematical adjoint. • The nodal mathematical adjoint is not unique and can be non-positive (nonphysical). • Adjoint and forward eigenmodes are compatible if produced by the same CMFD method. • In nodal applications the excited eigenmodes are purely mathematical entities. - Abstract: Computation of the neutron adjoint flux within the framework of modern nodal diffusion methods is often facilitated by reducing the nodal equation system for the forward flux into a simpler coarse-mesh finite-difference form and then transposing the resultant matrix equations. The solution to the transposed problem is known as the nodal mathematical adjoint. Since the coarse-mesh finite-difference reduction of a given nodal formulation can be obtained in a number of ways, different nodal mathematical adjoint solutions can be computed. This non-uniqueness of the nodal mathematical adjoint challenges the credibility of the reduction strategy and demands a verdict as to its suitability in practical applications. This is the matter under consideration in this paper. A selected number of coarse-mesh finite-difference reduction schemes are described and compared. Numerical calculations are utilised to illustrate the differences in the adjoint solutions as well as to appraise the impact on such common applications as the computation of core point kinetics parameters. Recommendations are made for the proper application of the coarse-mesh finite-difference reduction approach to the nodal mathematical adjoint problem
A comparison between nodal expansion method and nodal Green's function method - 038
International Nuclear Information System (INIS)
Wang, Deng-ying; Li Fu; Hu, Yong-ming; Guo, Jiong; Wei, Jin-Feng; Zhang, Jing-yu
2010-01-01
This paper presents a unified formulation of the Nodal Expansion Method (NEM) and Nodal Green's Function Method (NGFM) in Cartesian geometry although there is a significant difference between them. Both methods employ the same inner iterative scheme namely Row-Column iteration strategy to solve the interface current equation. It's generally believed that the NEM is somewhat faster than the NGFM. However, calculations of IAEA3D benchmark problem carried out by newly implemented NGFM and NEM show that not only the accuracy but also the performance of the NGFM are better than that of the NEM in Cartesian geometry. Both the NGFM and NEM are extended to solve neutron diffusion equation in cylindrical geometry. Since the traditional transverse integration fails to produce a 1-D transverse integrated equation in Θ-direction, a simple approach is introduced to obtain this equation in Θ-direction. The 1-D transverse integrated equations in r-direction are solved by the NEM using the special polynomials and by the NGFM using Green's function based on modified Bessel function respectively. The same iterative scheme employed for Cartesian geometry can be readily applied to the cylindrical geometry case. The Cylindrical Nodal Expansion Method (CNEM) and the Cylindrical Nodal Green's Function Method (CNGFM) codes are developed and applied to Dodd's r-z benchmark problem. The results show that both the CNEM and CNGFM are capable of very high performance and accuracy in cylindrical geometry. Meanwhile this paper demonstrates that nodal methods have prominent advantages over traditional finite difference method in both Cartesian geometry and cylindrical geometry. (authors)
Atrial tachycardia mimicking atrioventricular nodal reentry tachycardia.
Eilbert, Wesley P; Patel, Neal
2013-07-01
The term supraventricular tachycardia (SVT) is used to describe tachydysrhythmias that require atrial or atrioventricular nodal tissue for their initiation and maintenance. SVT can be used to describe atrioventricular nodal reentry tachycardia, atrioventricular reentry tachycardia, and atrial tachycardia (AT). AT is the least common of these SVT subtypes, accounting for only 10% of cases. Although the suggested initial management of each SVT subtype is different, they all can present with similar symptoms and electrocardiographic findings. Discuss the pathophysiology, diagnosis, and treatment of AT as compared with other types of SVT. We report a 56-year-old woman with symptoms and electrocardiographic findings consistent with SVT. Although standard treatment with intravenous adenosine failed to convert the SVT, it revealed AT as the cause of the tachydysrhythmia. The AT was successfully terminated with beta-blockade and the patient eventually underwent successful radioablation of three separate AT foci. AT frequently mimics other more common forms of SVT. AT might be recognized only when standard treatment of SVT has failed. Identification of AT in this setting is crucial to allow for more definitive therapy. Copyright © 2013 Elsevier Inc. All rights reserved.
Radiotherapy of adult nodal non Hodgkin's lymphoma
International Nuclear Information System (INIS)
Gamen, G.; Thirion, P.
1999-01-01
The role of radiotherapy in the treatment of nodal non-Hodgkin's lymphoma has been modified by the introduction of efficient chemotherapy and the development of different pathological classifications. The recommended treatment of early-stage aggressive lymphomas is primarily a combination chemotherapy. The interest of adjuvant radiotherapy remains unclear and has to be established through large prospective trials. If radiation therapy has to be delivered, the historical results of exclusive radiation therapy showed that involved-fields and a dose of 35-40 Gy (daily fraction of 1.8 Gy, 5 days a week) are the optimal schedule. The interest of radiotherapy in the treatment of advanced-stage aggressive lymphoma is yet to be proven. Further studies had to stratify localized stages according to the factors of the International Prognostic Index. For easy-stage low-grade lymphoma, radiotherapy remains the standard treatment. However, the appropriate technique to use is controversial. Involved-field irradiation at a dose of 35 Gy seems to be the optimal schedule, providing a 10 year disease-free survival rate of 50 % and no major toxicity. There is no standard indication of radiotherapy in the treatment advanced-stage low-grade lymphoma. For 'new' nodal lymphoma's types, the indication of radiotherapy cannot be established (mantle-zone lymphoma, marginal zone B-cell lymphoma) or must take into account the natural history (Burkitt's lymphoma, peripheral T-cell lymphoma) and the sensibility to others therapeutic methods. (authors)
Directory of Open Access Journals (Sweden)
Muhammad H. Al-Malack
2016-07-01
Full Text Available Fuel oil flyash (FFA produced in power and water desalination plants firing crude oils in the Kingdom of Saudi Arabia is being disposed in landfills, which increases the burden on the environment, therefore, FFA utilization must be encouraged. In the current research, the effect of adding FFA on the engineering properties of two indigenous soils, namely sand and marl, was investigated. FFA was added at concentrations of 5%, 10% and 15% to both soils with and without the addition of Portland cement. Mixtures of the stabilized soils were thoroughly evaluated using compaction, California Bearing Ratio (CBR, unconfined compressive strength (USC and durability tests. Results of these tests indicated that stabilized sand mixtures could not attain the ACI strength requirements. However, marl was found to satisfy the ACI strength requirement when only 5% of FFA was added together with 5% of cement. When the FFA was increased to 10% and 15%, the mixture’s strength was found to decrease to values below the ACI requirements. Results of the Toxicity Characteristics Leaching Procedure (TCLP, which was performed on samples that passed the ACI requirements, indicated that FFA must be cautiously used in soil stabilization.
Pirisinu, L.; Bari, Di M.; Marcon, S.; Vaccari, G.; Agostino, D' C.; Fazzi, P.; Esposito, E.; Cardone, F.; Langeveld, J.P.M.; Agrimi, U.; Nonno, R.
2010-01-01
Although proteinacious in nature, prions exist as strains with specific self-perpetuating biological properties. Prion strains are thought to be associated with different conformers of PrPSc, a disease-associated isoform of the host-encoded cellular protein (PrPC). Molecular strain typing approaches
CSIR Research Space (South Africa)
Robertson, GJ
2017-03-01
Full Text Available an interdomain salt-bridge at the active site. Hydrogen-deuterium exchange mass spectrometry also revealed that neither mutation had a significant effect on the conformational dynamics of GSTA3-3. The R15L and Y9F mutations are equally important to the specific...
Delchev, V B; Gavazov, K B; Shterev, I G
2014-12-01
We performed a theoretical and experimental study of the (photo)stability of 3,5-dinitrocatechol (DNC) and its complexes with W(VI) and V(V). The investigation showed that irradiation of DNC is accompanied by a parallel proton migration from the hydroxy group to the neighboring NO2 group, which results in a large Stokes shift of the absorption and emission bands. It was found that W(VI) forms a more stable 1:2 complex than V(V). The complex is stable even under UV irradiation. The most stable W(VI)(DNC)2 conformer is comprised of two mutually perpendicular DNC molecules as ligands.
Energy Technology Data Exchange (ETDEWEB)
Santos, Camila Ramos; Meza, Andreia Navarro [Laboratorio Nacional de Biociencias (LNBio), Centro Nacional de Pesquisa em Energia e Materiais, Campinas, SP (Brazil); Hoffmam, Zaira Bruna; Silva, Junio Cota; Alvarez, Thabata Maria; Ruller, Roberto [Laboratorio Nacional de Ciencia e Tecnologia do Bioetanol (CTBE), Centro Nacional de Pesquisa em Energia e Materiais, Campinas, SP (Brazil); Giesel, Guilherme Menegon; Verli, Hugo [Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil); Squina, Fabio Marcio [Laboratorio Nacional de Ciencia e Tecnologia do Bioetanol (CTBE), Centro Nacional de Pesquisa em Energia e Materiais, Campinas, SP (Brazil); Prade, Rolf Alexander [Department of Microbiology and Molecular Genetics, Oklahoma State University, Stillwater, OK (United States); Murakami, Mario Tyago, E-mail: mario.murakami@lnbio.org.br [Laboratorio Nacional de Biociencias (LNBio), Centro Nacional de Pesquisa em Energia e Materiais, Campinas, SP (Brazil)
2010-12-10
Research highlights: {yields} The hyperthermostable xylanase 10B from Thermotoga petrophila RKU-1 produces exclusively xylobiose at the optimum temperature. {yields} Circular dichroism spectroscopy suggests a coupling effect of temperature-induced structural changes with its enzymatic behavior. {yields} Crystallographic and molecular dynamics studies indicate that conformational changes in the product release area modulate the enzyme action mode. -- Abstract: Endo-xylanases play a key role in the depolymerization of xylan and recently, they have attracted much attention owing to their potential applications on biofuels and paper industries. In this work, we have investigated the molecular basis for the action mode of xylanases 10B at high temperatures using biochemical, biophysical and crystallographic methods. The crystal structure of xylanase 10B from hyperthermophilic bacterium Thermotoga petrophila RKU-1 (TpXyl10B) has been solved in the native state and in complex with xylobiose. The complex crystal structure showed a classical binding mode shared among other xylanases, which encompasses the -1 and -2 subsites. Interestingly, TpXyl10B displayed a temperature-dependent action mode producing xylobiose and xylotriose at 20 {sup o}C, and exclusively xylobiose at 90 {sup o}C as assessed by capillary zone electrophoresis. Moreover, circular dichroism spectroscopy suggested a coupling effect of temperature-induced structural changes with this particular enzymatic behavior. Molecular dynamics simulations supported the CD analysis suggesting that an open conformational state adopted by the catalytic loop (Trp297-Lys326) provokes significant modifications in the product release area (+1,+2 and +3 subsites), which drives the enzymatic activity to the specific release of xylobiose at high temperatures.
Torsionfree sheaves over a nodal curve of arithmetic genus one
Indian Academy of Sciences (India)
We classify all isomorphism classes of stable torsionfree sheaves on an irreducible nodal curve of arithmetic genus one defined over C C . Let be a nodal curve of arithmetic genus one defined over R R , with exactly one node, such that does not have any real points apart from the node. We classify all isomorphism ...
In vitro Plant Regeneration of Cyphomandra betacea through Nodal ...
African Journals Online (AJOL)
In vitro Plant Regeneration of Cyphomandra betacea through Nodal Culture. ... This study was conducted to develop an efficient, rapid propagation protocol for C. betacea through in vitro nodal culture. The effect of phytohormones on bud ... Keywords: Tissue culture, Cyphomandra betacea, Tamarillo, microshoot. Rwanda ...
Efficient in vitro Chrysanthemum morifolium L.) plantlets from nodal ...
African Journals Online (AJOL)
Efficient plant regeneration system has been developed from the nodal segments of chrysanthemum (Chrysanthemum morifolium L). Nodal segments, after being sterilized with 1.0% mercuric chloride for three minutes, were inoculated in Murashige and Skoog (MS) media with varied concentrations of indole acetic acid ...
International Nuclear Information System (INIS)
Kaplan, David B.; Lee, Jong-Wan; Son, Dam T.; Stephanov, Mikhail A.
2009-01-01
We consider zero-temperature transitions from conformal to nonconformal phases in quantum theories. We argue that there are three generic mechanisms for the loss of conformality in any number of dimensions: (i) fixed point goes to zero coupling, (ii) fixed point runs off to infinite coupling, or (iii) an IR fixed point annihilates with a UV fixed point and they both disappear into the complex plane. We give both relativistic and nonrelativistic examples of the last case in various dimensions and show that the critical behavior of the mass gap behaves similarly to the correlation length in the finite temperature Berezinskii-Kosterlitz-Thouless (BKT) phase transition in two dimensions, ξ∼exp(c/|T-T c | 1/2 ). We speculate that the chiral phase transition in QCD at large number of fermion flavors belongs to this universality class, and attempt to identify the UV fixed point that annihilates with the Banks-Zaks fixed point at the lower end of the conformal window.
Nodal portraits of quantum billiards: Domains, lines, and statistics
Jain, Sudhir Ranjan; Samajdar, Rhine
2017-10-01
This is a comprehensive review of the nodal domains and lines of quantum billiards, emphasizing a quantitative comparison of theoretical findings to experiments. The nodal statistics are shown to distinguish not only between regular and chaotic classical dynamics but also between different geometric shapes of the billiard system itself. How a random superposition of plane waves can model chaotic eigenfunctions is discussed and the connections of the complex morphology of the nodal lines thereof to percolation theory and Schramm-Loewner evolution are highlighted. Various approaches to counting the nodal domains—using trace formulas, graph theory, and difference equations—are also illustrated with examples. The nodal patterns addressed pertain to waves on vibrating plates and membranes, acoustic and electromagnetic modes, wave functions of a "particle in a box" as well as to percolating clusters, and domains in ferromagnets, thus underlining the diversity and far-reaching implications of the problem.
Topological nodal line semimetals predicted from first-principles calculations
Yu, Rui; Fang, Zhong; Dai, Xi; Weng, Hongming
2017-06-01
Topological semimetals are newly discovered states of quantum matter, which have extended the concept of topological states from insulators to metals and attracted great research interest in recent years. In general, there are three kinds of topological semimetals, namely Dirac semimetals, Weyl semimetals, and nodal line semimetals. Nodal line semimetals can be considered as precursor states for other topological states. For example, starting from such nodal line states, the nodal line structure might evolve into Weyl points, convert into Dirac points, or become a topological insulator by introducing the spin-orbit coupling (SOC) or mass term. In this review paper, we introduce theoretical materials that show the nodal line semimetal state, including the all-carbon Mackay-Terrones crystal (MTC), anti-perovskite Cu3PdN, pressed black phosphorus, and the CaP3 family of materials, and we present the design principles for obtaining such novel states of matter.
Nodal aberration theory applied to freeform surfaces
Fuerschbach, Kyle; Rolland, Jannick P.; Thompson, Kevin P.
2014-12-01
When new three-dimensional packages are developed for imaging optical systems, the rotational symmetry of the optical system is often broken, changing its imaging behavior and making the optical performance worse. A method to restore the performance is to use freeform optical surfaces that compensate directly the aberrations introduced from tilting and decentering the optical surfaces. In order to effectively optimize the shape of a freeform surface to restore optical functionality, it is helpful to understand the aberration effect the surface may induce. Using nodal aberration theory the aberration fields induced by a freeform surface in an optical system are explored. These theoretical predications are experimentally validated with the design and implementation of an aberration generating telescope.
Local Nodal Cooper Pairs in Multiorbital Systems
Hattori, Kazumasa; Nomoto, Takuya; Hotta, Takashi; Ikeda, Hiroaki
2017-11-01
We show the occurrence of a new class of superconductivity in multiorbital systems, focusing on non-Kramers f2 states. The Cooper pairs in this class of superconductivity are mainly local pairs with the same symmetry as the local f2 ground states. When the local ground state is an anisotropic representation, the superconducting gap has nodes on the Fermi surface. This nodal superconductivity is mediated by the strong on-site interorbital attractions arising from the negative-U physics, generalized in multiorbital systems. We show that this is realized in a simple two-orbital model with antiferro Hund's coupling and enhanced inter-orbital interactions derived via a systematic local down folding. Finally, we briefly discuss superconductivity in Pr-1-2-20 compounds, UBe13, and PrOs4Sb12, in view of the present mechanism.
Jia, Yiping; Ramasamy, Somasundaram; Wood, Francine; Alayash, Abdu I; Rifkind, Joseph M
2004-12-01
O-R-polyHbA(0) is an intra- and intermolecularly O-raffinose cross-linked derivative of deoxygenated human haemoglobin developed as an oxygen therapeutic. When compared with its native protein (HbA(0)), O-R-polyHbA(0) was found to be locked in the T (tense) quaternary conformation with a lower oxygen affinity, a reduced Bohr effect (50% of HbA(0)) and no measurable cooperativity (h=1). The kinetics of oxygen and CO binding to the protein indicate lower 'on' rates and faster 'off' rates than HbA(0) and the absence of effects of inositol hexaphosphate (IHP) on the kinetics. Other properties consistent with a T-like conformation are inaccessibility of the betaCys-93 thiol group of O-R-polyHbA(0), the hyperfine splitting from nitrogen in the EPR spectrum of the Fe(II)NO complex of O-R-polyHbA(0) and decreased flexibility in the distal haem pocket, as indicated by low-spin bis-histidine complexes detected by EPR of oxidized chains. A comparison of the properties of O-R-polyHbA(0) with those of HbA(0) with and without IHP, as well as the reaction of nitrite with deoxygenated haemoglobin, provide additional insights into the variations in the conformation of T-state haemoglobin in solution (modifications of the T state produced by adding organic phosphates, like IHP and 2,3-diphosphoglycerate). Although the physiological ramifications of locking HbA(0) in the T conformation with the O-raffinose are still unknown, valuable insights into haemoglobin function are provided by these studies of O-R-polyHbA(0).
Embryonic morphogen nodal promotes breast cancer growth and progression.
Directory of Open Access Journals (Sweden)
Daniela F Quail
Full Text Available Breast cancers expressing human embryonic stem cell (hESC-associated genes are more likely to progress than well-differentiated cancers and are thus associated with poor patient prognosis. Elevated proliferation and evasion of growth control are similarly associated with disease progression, and are classical hallmarks of cancer. In the current study we demonstrate that the hESC-associated factor Nodal promotes breast cancer growth. Specifically, we show that Nodal is elevated in aggressive MDA-MB-231, MDA-MB-468 and Hs578t human breast cancer cell lines, compared to poorly aggressive MCF-7 and T47D breast cancer cell lines. Nodal knockdown in aggressive breast cancer cells via shRNA reduces tumour incidence and significantly blunts tumour growth at primary sites. In vitro, using Trypan Blue exclusion assays, Western blot analysis of phosphorylated histone H3 and cleaved caspase-9, and real time RT-PCR analysis of BAX and BCL2 gene expression, we demonstrate that Nodal promotes expansion of breast cancer cells, likely via a combinatorial mechanism involving increased proliferation and decreased apopotosis. In an experimental model of metastasis using beta-glucuronidase (GUSB-deficient NOD/SCID/mucopolysaccharidosis type VII (MPSVII mice, we show that although Nodal is not required for the formation of small (<100 cells micrometastases at secondary sites, it supports an elevated proliferation:apoptosis ratio (Ki67:TUNEL in micrometastatic lesions. Indeed, at longer time points (8 weeks, we determined that Nodal is necessary for the subsequent development of macrometastatic lesions. Our findings demonstrate that Nodal supports tumour growth at primary and secondary sites by increasing the ratio of proliferation:apoptosis in breast cancer cells. As Nodal expression is relatively limited to embryonic systems and cancer, this study establishes Nodal as a potential tumour-specific target for the treatment of breast cancer.
Embryonic morphogen nodal promotes breast cancer growth and progression.
Quail, Daniela F; Zhang, Guihua; Walsh, Logan A; Siegers, Gabrielle M; Dieters-Castator, Dylan Z; Findlay, Scott D; Broughton, Heather; Putman, David M; Hess, David A; Postovit, Lynne-Marie
2012-01-01
Breast cancers expressing human embryonic stem cell (hESC)-associated genes are more likely to progress than well-differentiated cancers and are thus associated with poor patient prognosis. Elevated proliferation and evasion of growth control are similarly associated with disease progression, and are classical hallmarks of cancer. In the current study we demonstrate that the hESC-associated factor Nodal promotes breast cancer growth. Specifically, we show that Nodal is elevated in aggressive MDA-MB-231, MDA-MB-468 and Hs578t human breast cancer cell lines, compared to poorly aggressive MCF-7 and T47D breast cancer cell lines. Nodal knockdown in aggressive breast cancer cells via shRNA reduces tumour incidence and significantly blunts tumour growth at primary sites. In vitro, using Trypan Blue exclusion assays, Western blot analysis of phosphorylated histone H3 and cleaved caspase-9, and real time RT-PCR analysis of BAX and BCL2 gene expression, we demonstrate that Nodal promotes expansion of breast cancer cells, likely via a combinatorial mechanism involving increased proliferation and decreased apopotosis. In an experimental model of metastasis using beta-glucuronidase (GUSB)-deficient NOD/SCID/mucopolysaccharidosis type VII (MPSVII) mice, we show that although Nodal is not required for the formation of small (apoptosis ratio (Ki67:TUNEL) in micrometastatic lesions. Indeed, at longer time points (8 weeks), we determined that Nodal is necessary for the subsequent development of macrometastatic lesions. Our findings demonstrate that Nodal supports tumour growth at primary and secondary sites by increasing the ratio of proliferation:apoptosis in breast cancer cells. As Nodal expression is relatively limited to embryonic systems and cancer, this study establishes Nodal as a potential tumour-specific target for the treatment of breast cancer.
Modifying nodal pricing method considering market participants optimality and reliability
Directory of Open Access Journals (Sweden)
A. R. Soofiabadi
2015-06-01
Full Text Available This paper develops a method for nodal pricing and market clearing mechanism considering reliability of the system. The effects of components reliability on electricity price, market participants’ profit and system social welfare is considered. This paper considers reliability both for evaluation of market participant’s optimality as well as for fair pricing and market clearing mechanism. To achieve fair pricing, nodal price has been obtained through a two stage optimization problem and to achieve fair market clearing mechanism, comprehensive criteria has been introduced for optimality evaluation of market participant. Social welfare of the system and system efficiency are increased under proposed modified nodal pricing method.
DEFF Research Database (Denmark)
Trabjerg, Esben; Kartberg, Fredrik; Christensen, Søren
2017-01-01
of NGF and proNGF on neurons. However, whereas the structure of NGF has been determined by X-ray crystallography, the structural details for proNGF remain elusive. Here, using a sensitive MS-based analytical method to measure the hydrogen/deuterium exchange of proteins in solution, we analyzed...... the conformational properties of proNGF and NGF. We detected the presence of a localized higher-order structure motif in the pro-part of proNGF. Furthermore, by comparing the hydrogen/deuterium exchange in the mature part of NGF and proNGF, we found that the presence of the pro-part in proNGF causes a structural...... of the common neurotrophin receptor (p75NTR) and sortilin. The overexpression of both proNGF and sortilin has been associated with several neurodegenerative diseases. Insights into the conformational differences between proNGF and NGF are central to a better understanding of the opposing mechanisms of action...
Primary nodal hemangiosarcoma in four dogs.
Chan, Catherine M; Zwahlen, Courtney H; de Lorimier, Louis-Philippe; Yeomans, Stephen M; Hoffmann, Karon L; Moore, Antony S
2016-11-01
CASE DESCRIPTION 4 dogs with a slow-growing mass in the cervical region were evaluated. CLINICAL FINDINGS All dogs had no clinical signs at the time of the evaluation. There was no apparent evidence of visceral metastases or other primary tumor based on available CT or MRI data for any dog. TREATMENT AND OUTCOME For each dog, surgery to remove the mass was performed. Histologic examination of the excised tissue revealed a completely excised grade 1 or 2 lymph node hemangiosarcoma. All dogs received adjuvant chemotherapy; 2 dogs underwent curative intent chemotherapy, 1 dog underwent metronomic treatment with cyclophosphamide, and 1 dog underwent metronomic treatment with chlorambucil. The survival time was 259 days in 1 dog; 3 dogs were still alive 615, 399, and 365 days after surgery. CLINICAL RELEVANCE Primary nodal hemangiosarcoma in dogs is a rare and, to the authors' knowledge, previously undescribed disease that appears to develop in the cervical lymph nodes as a slow-growing mass or masses. Surgical excision and adjunct treatment resulted in long survival times for 3 of the 4 dogs of the present report. Given the aggressive biologic behavior of hemangiosarcomas in other body locations, adjunct chemotherapy should be considered for affected dogs, although its role in the cases described in this report was unclear. Additional clinical information is required to further characterize the biologic behavior of this tumor type and determine the expected survival times and associated risk factors in dogs.
Present Status of GNF New Nodal Simulator
International Nuclear Information System (INIS)
Iwamoto, T.; Tamitani, M.; Moore, B.
2001-01-01
This paper presents core simulator consolidation work done at Global Nuclear Fuel (GNF). The unified simulator needs to supercede the capabilities of past simulator packages from the original GNF partners: GE, Hitachi, and Toshiba. At the same time, an effort is being made to produce a simulation package that will be a state-of-the-art analysis tool when released, in terms of the physics solution methodology and functionality. The core simulator will be capable and qualified for (a) high-energy cycles in the U.S. markets, (b) mixed-oxide (MOX) introduction in Japan, and (c) high-power density plants in Europe, etc. The unification of the lattice physics code is also in progress based on a transport model with collision probability methods. The AETNA core simulator is built upon the PANAC11 software base. The goal is to essentially replace the 1.5-energy-group model with a higher-order multigroup nonlinear nodal solution capable of the required modeling fidelity, while keeping highly automated library generation as well as functionality. All required interfaces to PANAC11 will be preserved, which minimizes the impact on users and process automation. Preliminary results show statistical accuracy improvement over the 1.5-group model
Adaptive Nodal Transport Methods for Reactor Transient Analysis
Energy Technology Data Exchange (ETDEWEB)
Thomas Downar; E. Lewis
2005-08-31
Develop methods for adaptively treating the angular, spatial, and time dependence of the neutron flux in reactor transient analysis. These methods were demonstrated in the DOE transport nodal code VARIANT and the US NRC spatial kinetics code, PARCS.
Aircraft Nodal Data Acquisition System (ANDAS), Phase II
National Aeronautics and Space Administration — Development of an Aircraft Nodal Data Acquisition System (ANDAS) based upon the short haul Zigbee networking standard is proposed. It employs a very thin (135 um)...
Nodally Integrated Finite Element Formulation for Mindlin-Reissner Plates
Simoes, D. A.; Jadhav, T. A.
2014-01-01
This work describes a nodally integrated finite element formulation for plates under the Mindlin-Reissner theory. The formulation makes use of the weighted residual method and nodal integration to derive the assumed strain relations. An element formulation for four-node quadrilateral elements is implemented in the nonlinear finite element solver Abaqus using the UEL user element subroutine. Numerical tests are carried out on the new element and the results are presented.
Directory of Open Access Journals (Sweden)
Wei D Duan-Porter
Full Text Available Nucleophosmin (NPM1 is an abundant, nucleolar tumor antigen with important roles in cell proliferation and putative contributions to oncogenesis. Wild-type NPM1 forms pentameric oligomers through interactions at the amino-terminal core domain. A truncated form of NPM1 found in some hepatocellular carcinoma tissue formed an unusually stable oligomer and showed increased susceptibility to cleavage by granzyme B. Initiation of translation at the seventh methionine generated a protein (M7-NPM that shared all these properties. We used deuterium exchange mass spectrometry (DXMS to perform a detailed structural analysis of wild-type NPM1 and M7-NPM, and found dynamic conformational shifts or local "unfolding" at a specific monomer-monomer interface which included the β-hairpin "latch." We tested the importance of interactions at the β-hairpin "latch" by replacing a conserved tyrosine in the middle of the β-hairpin loop with glutamic acid, generating Y67E-NPM. Y67E-NPM did not form stable oligomers and further, prevented wild-type NPM1 oligomerization in a dominant-negative fashion, supporting the critical role of the β-hairpin "latch" in monomer-monomer interactions. Also, we show preferential cleavage by granzyme B at one of two available aspartates (either D161 or D122 in M7-NPM and Y67E-NPM, whereas wild-type NPM1 was cleaved at both sites. Thus, we observed a correlation between the propensity to form oligomers and granzyme B cleavage site selection in nucleophosmin proteins, suggesting that a small change at an important monomer-monomer interface can affect conformational shifts and impact protein-protein interactions.
Delineation of Internal Mammary Nodal Target Volumes in Breast Cancer Radiation Therapy
Energy Technology Data Exchange (ETDEWEB)
Jethwa, Krishan R.; Kahila, Mohamed M. [Department of Radiation Oncology, Mayo Clinic, Rochester, Minnesota (United States); Hunt, Katie N. [Department of Radiology, Mayo Clinic, Rochester, Minnesota (United States); Brown, Lindsay C.; Corbin, Kimberly S.; Park, Sean S.; Yan, Elizabeth S. [Department of Radiation Oncology, Mayo Clinic, Rochester, Minnesota (United States); Boughey, Judy C. [Department of Surgery, Mayo Clinic, Rochester, Minnesota (United States); Mutter, Robert W., E-mail: mutter.robert@mayo.edu [Department of Radiation Oncology, Mayo Clinic, Rochester, Minnesota (United States)
2017-03-15
Purpose: The optimal clinical target volume for internal mammary (IM) node irradiation is uncertain in an era of increasingly conformal volume-based treatment planning for breast cancer. We mapped the location of gross internal mammary lymph node (IMN) metastases to identify areas at highest risk of harboring occult disease. Methods and Materials: Patients with axial imaging of IMN disease were identified from a breast cancer registry. The IMN location was transferred onto the corresponding anatomic position on representative axial computed tomography images of a patient in the treatment position and compared with consensus group guidelines of IMN target delineation. Results: The IMN location in 67 patients with 130 IMN metastases was mapped. The location was in the first 3 intercostal spaces in 102 of 130 nodal metastases (78%), whereas 18 of 130 IMNs (14%) were located caudal to the third intercostal space and 10 of 130 IMNs (8%) were located cranial to the first intercostal space. Of the 102 nodal metastases within the first 3 intercostal spaces, 54 (53%) were located within the Radiation Therapy Oncology Group consensus volume. Relative to the IM vessels, 19 nodal metastases (19%) were located medially with a mean distance of 2.2 mm (SD, 2.9 mm) whereas 29 (28%) were located laterally with a mean distance of 3.6 mm (SD, 2.5 mm). Ninety percent of lymph nodes within the first 3 intercostal spaces would have been encompassed within a 4-mm medial and lateral expansion on the IM vessels. Conclusions: In women with indications for elective IMN irradiation, a 4-mm medial and lateral expansion on the IM vessels may be appropriate. In women with known IMN involvement, cranial extension to the confluence of the IM vein with the brachiocephalic vein with or without caudal extension to the fourth or fifth interspace may be considered provided that normal tissue constraints are met.
Delineation of Internal Mammary Nodal Target Volumes in Breast Cancer Radiation Therapy.
Jethwa, Krishan R; Kahila, Mohamed M; Hunt, Katie N; Brown, Lindsay C; Corbin, Kimberly S; Park, Sean S; Yan, Elizabeth S; Boughey, Judy C; Mutter, Robert W
2017-03-15
The optimal clinical target volume for internal mammary (IM) node irradiation is uncertain in an era of increasingly conformal volume-based treatment planning for breast cancer. We mapped the location of gross internal mammary lymph node (IMN) metastases to identify areas at highest risk of harboring occult disease. Patients with axial imaging of IMN disease were identified from a breast cancer registry. The IMN location was transferred onto the corresponding anatomic position on representative axial computed tomography images of a patient in the treatment position and compared with consensus group guidelines of IMN target delineation. The IMN location in 67 patients with 130 IMN metastases was mapped. The location was in the first 3 intercostal spaces in 102 of 130 nodal metastases (78%), whereas 18 of 130 IMNs (14%) were located caudal to the third intercostal space and 10 of 130 IMNs (8%) were located cranial to the first intercostal space. Of the 102 nodal metastases within the first 3 intercostal spaces, 54 (53%) were located within the Radiation Therapy Oncology Group consensus volume. Relative to the IM vessels, 19 nodal metastases (19%) were located medially with a mean distance of 2.2 mm (SD, 2.9 mm) whereas 29 (28%) were located laterally with a mean distance of 3.6 mm (SD, 2.5 mm). Ninety percent of lymph nodes within the first 3 intercostal spaces would have been encompassed within a 4-mm medial and lateral expansion on the IM vessels. In women with indications for elective IMN irradiation, a 4-mm medial and lateral expansion on the IM vessels may be appropriate. In women with known IMN involvement, cranial extension to the confluence of the IM vein with the brachiocephalic vein with or without caudal extension to the fourth or fifth interspace may be considered provided that normal tissue constraints are met. Copyright © 2016 Elsevier Inc. All rights reserved.
Bilinear nodal transport method in weighted diamond difference form
International Nuclear Information System (INIS)
Azmy, Y.Y.
1987-01-01
Nodal methods have been developed and implemented for the numerical solution of the discrete ordinates neutron transport equation. Numerical testing of these methods and comparison of their results to those obtained by conventional methods have established the high accuracy of nodal methods. Furthermore, it has been suggested that the linear-linear approximation is the most computationally efficient, practical nodal approximation. Indeed, this claim has been substantiated by comparing the accuracy in the solution, and the CPU time required to achieve convergence to that solution by several nodal approximations, as well as the diamond difference scheme. Two types of linear-linear nodal methods have been developed in the literature: analytic linear-linear (NLL) methods, in which the transverse-leakage terms are derived analytically, and approximate linear-linear (PLL) methods, in which these terms are approximated. In spite of their higher accuracy, NLL methods result in very complicated discrete-variable equations that exhibit a high degree of coupling, thus requiring special solution algorithms. On the other hand, the sacrificed accuracy in PLL methods is compensated for by the simple discrete-variable equations and diamond-difference-like solution algorithm. In this paper the authors outline the development of an NLL nodal method, the bilinear method, which can be written in a weighted diamond difference form with one spatial weight per dimension that is analytically derived rather than preassigned in an ad hoc fashion
Non-conformable, partial and conformable transposition
DEFF Research Database (Denmark)
König, Thomas; Mäder, Lars Kai
2013-01-01
Although member states are obliged to transpose directives into domestic law in a conformable manner and receive considerable time for their transposition activities, we identify three levels of transposition outcomes for EU directives: conformable, partially conformable and non-conformable...... and the Commission regarding a directive’s outcome, play a much more strategic role than has to date acknowledged in the transposition literature. Whereas disagreement of a member state delays conformable transposition, it speeds up non-conformable transposition. Disagreement of the Commission only prolongs...
Kumar, Amit; Lualdi, Margaret; Lyozin, George T.; Sharma, Prashant; Loncarek, Jadranka; Fu, Xin-Yuan; Kuehn, Michael R.
2014-01-01
In the early mouse embryo, a specialized population of extraembryonic visceral endoderm (VE) cells called the anterior VE (AVE) establishes the anterior posterior (AP) axis by restricting gastrulation-inducing signals to the opposite pole. These cells arise at the distal tip of the egg cylinder stage embryo and then asymmetrically migrate to the prospective anterior following the path of an earlier arising and migrating population called the distal VE (DVE). The Nodal-signaling pathway has been shown to have a critical role in the generation of the DVE and AVE and in their migration. The Nodal gene is expressed in both the VE and in the pluripotent epiblast, which gives rise to the germ layers. Previous findings have provided conflicting evidence as to the relative importance of Nodal signaling from the epiblast vs. VE for AP patterning. Here we show that conditional mutagenesis of the Nodal gene specifically within the VE leads to reduced Nodal expression levels in the epiblast and incomplete or failed AVE migration. These results support a required role for VE Nodal to maintain normal levels of expression in the epiblast, and suggest signaling from both VE and epiblast is important for AVE migration. PMID:25536399
Badawi, Hassan M.; Förner, Wolfgang; Ali, Shaikh A.
2015-05-01
The structure, vibrational and 1H and 13C NMR spectra of the local anesthetic drug lidocaine were investigated by the B3LYP/6-311G∗∗ calculations. The molecule was predicted to have the non-planar cis (NCCN ∼ 0°) structures being about 2-6 kcal/mol lower in energy than the corresponding trans (NCCN ∼ 180°) forms. The calculated NCCN (9.6°) and CNCC (-132.2°) torsional angles were in a good qualitative agreement with the reported X-ray angles (3.1 and 13.0°, -102.67 and -77.9°, respectively, for H-bonded dimers). The Gibbs energy of solution of lidocaine in formamide, water, dimethylsulfoxide, acetonitrile, methanol, ethanol and chloroform solutions was estimated at the B3LYP level. The predicted affinity of lidocaine toward the alcohols, acetonitrile and chloroform solutions was in excellent agreement with the reported experimental solubility of the drug in organic solvents. The analysis of the observed vibrational spectra is consistent with the presence of lidocaine in only one conformation at room temperature. The 1H and 13C NMR spectra of lidocaine were interpreted by experimental and DFT calculated chemical shifts of the drug. The RMSD between experimental and theoretical 1H and 13C chemical shifts for lidocaine is 0.47 and 8.26 ppm, respectively.
Balachandran, V; Karpagam, V; Revathi, B; Kavimani, M; Ilango, G
2015-11-05
Natural product drugs play a dominant role in pharmaceutical care. Nature is an attractive source of new therapeutic candidate compounds as a tremendous chemical diversity is found in millions of species of plants, animals, marine organism and micro-organism. A antifungal activity against important opportunist micro-organism and against those involved in superficial mycosis, all from nosocomial origin. The acute in vitro cytotoxicity evaluation of each anthraquinone (AQ) isolated from these bioactive extracts, on a mammalian eukaryotic cell line (Vero cells), allowed us to establish the non-cytotoxic concentration range, which was used to evaluate the anti-microbial effect. A comprehensive ab initio calculation using the DFT/6-31+G(d) level theory showed that 2-(hydroxymethyl)anthraquinone can exist in four possible conformations, which can interchange through the OH group on the five-membered ring. Density functional theory calculations were used to predict the vibrational frequencies and to help in normal mode, assignments. Furthermore, a natural bond orbital analysis was performed describing each hydrogen bond as donor accepter interaction. The Fourier transform infrared spectra (4000-400 cm(-1)) and the Fourier transform Raman spectra (3500-100 cm(-1)) of the HMA in the solid space have been recorded. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The calculated ESP contour map shows the electrophilic and nucleophilic region of the molecule. Copyright © 2015 Elsevier B.V. All rights reserved.
Szabados, Hajnalka; Uray, Katalin; Majer, Zsuzsa; Silló, Pálma; Kárpáti, Sarolta; Hudecz, Ferenc; Bősze, Szilvia
2015-09-01
Desmoglein-3 (Dsg3) adhesion protein is the main target of autoantibodies and autoreactive T cells in Pemphigus vulgaris (PV) autoimmune skin disorder. Several mapping studies of Dsg3 T cell epitope regions were performed, and based on those data, we designed and synthesized four peptide series corresponding to Dsg3 T cell epitope regions. Each peptide series consists of a 17mer full-length peptide (Dsg3/189-205, Dsg3/206-222, Dsg3/342-358, and Dsg3/761-777) and its N-terminally truncated derivatives, resulting in 15 peptides altogether. The peptides were prepared on solid phase and were chemically characterized. In order to establish a structure-activity relationship, the solution conformation of the synthetic peptides has been investigated using electronic circular dichroism spectroscopy. The in vitro T cell stimulating efficacy of the peptides has been determined on peripheral blood mononuclear cells isolated from whole blood of PV patients and also from healthy donors. After 20 h of stimulation, the interferon (IFN)-γ content of the supernatants was measured by enzyme-linked immunosorbent assay. In the in vitro conditions, peptides were stable and non-cytotoxic. The in vitro IFN-γ production profile of healthy donors and PV patients, induced by peptides as synthetic antigens, was markedly different. The most unambiguous differences were observed after stimulation with 17mer peptide Dsg3/342-358, and three truncated derivatives from two other peptide series, namely, peptides Dsg3/192-205, Dsg3/763-777, and Dsg3/764-777. Comparative analysis of in vitro activity and the capability of oligopeptides to form ordered or unordered secondary structure showed that peptides bearing high solvent sensibility and backbone flexibility were the most capable to distinguish between healthy and PV donors. Copyright © 2015 European Peptide Society and John Wiley & Sons, Ltd.
Investigation on generalized Variational Nodal Methods for heterogeneous nodes
International Nuclear Information System (INIS)
Wang, Yongping; Wu, Hongchun; Li, Yunzhao; Cao, Liangzhi; Shen, Wei
2017-01-01
Highlights: • We developed two heterogeneous nodal methods based on the Variational Nodal Method. • Four problems were solved to evaluate the two heterogeneous nodal methods. • The function expansion method is good at treating continuous-changing heterogeneity. • The finite sub-element method is good at treating discontinuous-changing heterogeneity. - Abstract: The Variational Nodal Method (VNM) is generalized for heterogeneous nodes and applied to four kinds of problems including Molten Salt Reactor (MSR) core problem with continuous cross section profile, Pressurized Water Reactor (PWR) control rod cusping effect problem, PWR whole-core pin-by-pin problem, and heterogeneous PWR core problem without fuel-coolant homogenization in each pin cell. Two approaches have been investigated for the treatment of the nodal heterogeneity in this paper. To concentrate on spatial heterogeneity, diffusion approximation was adopted for the angular variable in neutron transport equation. To provide demonstrative numerical results, the codes in this paper were developed in slab geometry. The first method, named as function expansion (FE) method, expands nodal flux by orthogonal polynomials and the nodal cross sections are also expressed as spatial depended functions. The second path, named as finite sub-element (FS) method, takes advantage of the finite-element method by dividing each node into numbers of homogeneous sub-elements and expanding nodal flux into the combination of linear sub-element trial functions. Numerical tests have been carried out to evaluate the ability of the two nodal (coarse-mesh) heterogeneous VNMs by comparing with the fine-mesh homogeneous VNM. It has been demonstrated that both heterogeneous approaches can handle heterogeneous nodes. The FE method is good at continuous-changing heterogeneity as in the MSR core problem, while the FS method is good at discontinuous-changing heterogeneity such as the PWR pin-by-pin problem and heterogeneous PWR core
Functional mathematical model of dual pathway AV nodal conduction.
Climent, A M; Guillem, M S; Zhang, Y; Millet, J; Mazgalev, T N
2011-04-01
Dual atrioventricular (AV) nodal pathway physiology is described as two different wave fronts that propagate from the atria to the His bundle: one with a longer effective refractory period [fast pathway (FP)] and a second with a shorter effective refractory period [slow pathway (SP)]. By using His electrogram alternance, we have developed a mathematical model of AV conduction that incorporates dual AV nodal pathway physiology. Experiments were performed on five rabbit atrial-AV nodal preparations to develop and test the presented model. His electrogram alternances from the inferior margin of the His bundle were used to identify fast and slow wave front propagations. The ability to predict AV conduction time and the interaction between FP and SP wave fronts have been analyzed during regular and irregular atrial rhythms (e.g., atrial fibrillation). In addition, the role of dual AV nodal pathway wave fronts in the generation of Wenckebach periodicities has been illustrated. Finally, AV node ablative modifications have been evaluated. The model accurately reproduced interactions between FP and SP during regular and irregular atrial pacing protocols. In all experiments, specificity and sensitivity higher than 85% were obtained in the prediction of the pathway responsible for conduction. It has been shown that, during atrial fibrillation, the SP ablation significantly increased the mean HH interval (204 ± 39 vs. 274 ± 50 ms, P AV node mechanisms and should be considered as a step forward in the studies of AV nodal conduction.
AV nodal dual pathway electrophysiology and Wenckebach periodicity.
Zhang, Youhua; Mazgalev, Todor N
2011-11-01
The precise mechanism(s) governing the phenomenon of AV nodal Wenckebach periodicity is not fully elucidated. Currently 2 hypotheses, the decremental conduction and the Rosenbluethian step-delay, are most frequently used. We have provided new evidence that, in addition, dual pathway (DPW) electrophysiology is directly involved in the manifestation of AV nodal Wenckebach phenomenon. AV nodal cellular action potentials (APs) were recorded from 6 rabbit AV node preparations during standard A1A2 and incremental pacing protocols. His electrogram alternans, a validated index of DPW electrophysiology, was used to monitor fast (FP) and slow (SP) pathway conduction. The data were collected in intact AV nodes, as well as after SP ablation. In all studied hearts the Wenckebach cycle started with FP propagation, followed by transition to SP until its ultimate block. During this process complex cellular APs were observed, with decremental foot formations reflecting the fading FP and second depolarizations produced by the SP. In addition, the AV node cells exhibited a progressive loss in maximal diastolic membrane potential (MDP) due to incomplete repolarization. The pause created with the blocked Wenckebach beat was associated with restoration of MDP and reinitiation of the conduction cycle via the FP wavefront. DPW electrophysiology is dynamically involved in the development of AV nodal Wenckebach periodicity. In the intact AV node, the cycle starts with FP that is progressively weakened and then replaced by SP propagation, until block occurs. AV nodal SP modification did not eliminate Wenckebach periodicity but strongly affected its paradigm. © 2011 Wiley Periodicals, Inc.
Implications of inaccurate clinical nodal staging in pancreatic adenocarcinoma.
Swords, Douglas S; Firpo, Matthew A; Johnson, Kirsten M; Boucher, Kenneth M; Scaife, Courtney L; Mulvihill, Sean J
2017-07-01
Many patients with stage I-II pancreatic adenocarcinoma do not undergo resection. We hypothesized that (1) clinical staging underestimates nodal involvement, causing stage IIB to have a greater percent of resected patients and (2) this stage-shift causes discrepancies in observed survival. The Surveillance, Epidemiology, and End Results (SEER) research database was used to evaluate cause-specific survival in patients with pancreatic adenocarcinoma from 2004-2012. Survival was compared using the log-rank test. Single-center data on 105 patients who underwent resection of pancreatic adenocarcinoma without neoadjuvant treatment were used to compare clinical and pathologic nodal staging. In SEER data, medium-term survival in stage IIB was superior to IB and IIA, with median cause-specific survival of 14, 9, and 11 months, respectively (P < .001). Seventy-two percent of stage IIB patients underwent resection vs 28% in IB and 36% in IIA (P < .001). In our institutional data, 12.4% of patients had clinical evidence of nodal involvement vs 69.5% by pathologic staging (P < .001). Among clinical stage IA-IIA patients, 71.6% had nodal involvement by pathologic staging. Both SEER and institutional data support substantial underestimation of nodal involvement by clinical staging. This finding has implications in decisions regarding neoadjuvant therapy and analysis of outcomes in the absence of pathologic staging. Copyright © 2017 Elsevier Inc. All rights reserved.
Development of depletion perturbation theory for a reactor nodal code
Energy Technology Data Exchange (ETDEWEB)
Bowman, S.M.
1981-09-01
A generalized depletion perturbation (DPT) theory formulation for light water reactor (LWR) depletion problems is developed and implemented into the three-dimensional LWR nodal code SIMULATE. This development applies the principles of the original derivation by M.L. Williams to the nodal equations solved by SIMULATE. The present formulation is first described in detail, and the nodal coupling methodology in SIMULATE is used to determine partial derivatives of the coupling coefficients. The modifications to the original code and the new DPT options available to the user are discussed. Finally, the accuracy and the applicability of the new DPT capability to LWR design analysis are examined for several LWR depletion test cases. The cases range from simple static cases to a realistic PWR model for an entire fuel cycle. Responses of interest included K/sub eff/, nodal peaking, and peak nodal exposure. The nonlinear behavior of responses with respect to perturbations of the various types of cross sections was also investigated. The time-dependence of the sensitivity coefficients for different responses was examined and compared. Comparison of DPT results for these examples to direct calculations reveals the limited applicability of depletion perturbation theory to LWR design calculations at the present. The reasons for these restrictions are discussed, and several methods which might improve the computational accuracy of DPT are proposed for future research.
DEFF Research Database (Denmark)
Trabjerg, Esben; Jakobsen, Rasmus U.; Mysling, Simon
2015-01-01
Analysis of disulfide-bonded proteins by hydrogen/deuterium exchange mass spectrometry (HDX-MS) requires effective and rapid reduction of disulfide bonds before enzymatic digestion in order to increase sequence coverage. In a conventional HDX-MS workflow, disulfide bonds are reduced chemically...... by addition of a reducing agent to the quench solution (e.g., tris(2-carboxyethyl)phosphine (TCEP)). The chemical reduction, however, is severely limited under quenched conditions due to a narrow time window as well as low pH and temperature. Here, we demonstrate the real-world applicability of integrating...... electrochemical reduction into an online HDX-MS workflow. We have optimized the electrochemical reduction efficiency during HDX-MS analysis of two particularly challenging disulfide stabilized proteins: a therapeutic IgG1-antibody and nerve growth factor-β (NGF). Several different parameters (flow rate...
A computational study of nodal-based tetrahedral element behavior.
Energy Technology Data Exchange (ETDEWEB)
Gullerud, Arne S.
2010-09-01
This report explores the behavior of nodal-based tetrahedral elements on six sample problems, and compares their solution to that of a corresponding hexahedral mesh. The problems demonstrate that while certain aspects of the solution field for the nodal-based tetrahedrons provide good quality results, the pressure field tends to be of poor quality. Results appear to be strongly affected by the connectivity of the tetrahedral elements. Simulations that rely on the pressure field, such as those which use material models that are dependent on the pressure (e.g. equation-of-state models), can generate erroneous results. Remeshing can also be strongly affected by these issues. The nodal-based test elements as they currently stand need to be used with caution to ensure that their numerical deficiencies do not adversely affect critical values of interest.
Mahmmoud, Yasser A; Christensen, S Brøgger
2011-10-01
Nigella sativa seed oil was found to contain a modulator of Na,K-ATPase. Separation analyses combined with (1)H NMR and GCMS identified the inhibitory fraction as a mixture of oleic and linoleic acids. These two fatty acids are specifically concentrated in several medicinal plant oils, and have particularly been implicated in decreasing high blood pressure. The ouabain binding site on Na,K-ATPase has also been implicated in blood pressure regulation. Thus, we aimed to determine how these two molecules modify pig kidney Na,K-ATPase. Oleic and linoleic acids did not modify reactions involving the E(1) (Na(+)) conformations of the Na,K-ATPase. In contrast, K(+) dependent reactions were strongly modified after treatment. Oleic and linoleic acids were found to stabilize a pump conformation that binds ouabain with high affinity, i.e., an ion free E(2)P form. Time-resolved binding assays using anthroylouabain, a fluorescent ouabain analog, revealed that the increased ouabain affinity is unique to oleic and linoleic acids, as compared with γ-linolenic acid, which decreased pump-mediated ATP hydrolysis but did not equally increase ouabain interaction with the pump. Thus, the dynamic changes in plasma levels of oleic and linoleic acids are important in the modulation of the sensitivity of the sodium pump to cardiac glycosides. Given the possible involvement of the cardiac glycoside binding site on Na,K-ATPase in the regulation of hypertension, we suggest oleic acid to be a specific chaperon that modulates interaction of cardiac glycosides with the sodium pump. Crown Copyright © 2011. Published by Elsevier B.V. All rights reserved.
Nodal Structure of Unconventional Superconductors Determined by Thermal Conductivity
International Nuclear Information System (INIS)
Matsuda, Y.; Izawa, K.
2003-01-01
The superconducting gap structure, especially the direction of the nodes, is an unresolved issue in most of unconventional superconductors. Recently it has been demonstrated that the thermal conductivity κ is a powerful tool for probing the nodal structure. Here measuring κ in H rotating within the basal plane, we discuss the nodal structure of the unconventional superconductors, spin-triplet Sr 2 RuO 4 , heavy fermion CeCoIn 5 , organic κ -(BEDT-TTF) 2 Cu(NCS) 2 , and borocarbide YNi 2 B 2 C. (author)
Nodal algorithm derived from a new variational principle
International Nuclear Information System (INIS)
Watson, Fernando V.
1995-01-01
As a by-product of the research being carried on by the author on methods of recovering pin power distribution of PWR cores, a nodal algorithm based on a modified variational principle for the two group diffusion equations has been obtained. The main feature of the new algorithm is the low dimensionality achieved by the reduction of the original diffusion equations to a system of algebraic Eigen equations involving the average sources only, instead of sources and interface group currents used in conventional nodal methods. The advantage of this procedure is discussed and results generated by the new algorithm and by a finite difference code are compared. (author). 2 refs, 7 tabs
Nodal spectrum method for solving neutron diffusion equation
International Nuclear Information System (INIS)
Sanchez, D.; Garcia, C. R.; Barros, R. C. de; Milian, D.E.
1999-01-01
Presented here is a new numerical nodal method for solving static multidimensional neutron diffusion equation in rectangular geometry. Our method is based on a spectral analysis of the nodal diffusion equations. These equations are obtained by integrating the diffusion equation in X, Y directions and then considering flat approximations for the current. These flat approximations are the only approximations that are considered in this method, as a result the numerical solutions are completely free from truncation errors. We show numerical results to illustrate the methods accuracy for coarse mesh calculations
Nodal approximations in space and time for neutron kinetics
International Nuclear Information System (INIS)
Grossman, L.M.; Hennart, J.P.
2005-01-01
A general formalism is described of the nodal type in time and space for the neutron kinetics equations. In space, several nodal methods are given of the Raviart-Thomas type (RT0 and RT1), of the Brezzi-Douglas-Marini type (BDM0 and BDM1) and of the Brezzi-Douglas-Fortin-Marini type (BDFM 1). In time, polynomial and analytical approximations are derived. In the analytical case, they are based on the inclusion of an exponential term in the basis function. They can be continuous or discontinuous in time, leading in particular to the well-known Crank-Nicolson, Backward Euler and θ schemes
Oddness of least energy nodal solutions on radial domains
Directory of Open Access Journals (Sweden)
Christopher Grumiau
2010-07-01
Full Text Available In this article, we consider the Lane-Emden problem $$displaylines{ Delta u(x + |{u(x}mathclose|^{p-2}u(x=0, quad hbox{for } xinOmega,cr u(x=0, quad hbox{for } xinpartialOmega, }$$ where $2 < p < 2^{*}$ and $Omega$ is a ball or an annulus in $mathbb{R}^{N}$, $Ngeq 2$. We show that, for p close to 2, least energy nodal solutions are odd with respect to an hyperplane -- which is their nodal surface. The proof ingredients are a constrained implicit function theorem and the fact that the second eigenvalue is simple up to rotations.
Development and validation of a nodal code for core calculation
International Nuclear Information System (INIS)
Nowakowski, Pedro Mariano
2004-01-01
The code RHENO solves the multigroup three-dimensional diffusion equation using a nodal method of polynomial expansion.A comparative study has been made between this code and present internationals nodal diffusion codes, resulting that the RHENO is up to date.The RHENO has been integrated to a calculation line and has been extend to make burnup calculations.Two methods for pin power reconstruction were developed: modulation and imbedded. The modulation method has been implemented in a program, while the implementation of the imbedded method will be concluded shortly.The validation carried out (that includes experimental data of a MPR) show very good results and calculation efficiency
Nodal approximations in space and time for neutron kinetics
Energy Technology Data Exchange (ETDEWEB)
Grossman, L.M. [Department of Nuclear Engineering, University of California, Berkeley, CA 94720 (United States); Hennart, J.P. [Department of Mathematical and Numerical Methods, Institute for Research in Applied Mathematics and Systems, National Autonomous University of Mexico, A.P. 20-726, 01000 Mexico D.F. (Mexico)
2005-07-01
A general formalism is described of the nodal type in time and space for the neutron kinetics equations. In space, several nodal methods are given of the Raviart-Thomas type (RT0 and RT1), of the Brezzi-Douglas-Marini type (BDM0 and BDM1) and of the Brezzi-Douglas-Fortin-Marini type (BDFM 1). In time, polynomial and analytical approximations are derived. In the analytical case, they are based on the inclusion of an exponential term in the basis function. They can be continuous or discontinuous in time, leading in particular to the well-known Crank-Nicolson, Backward Euler and {theta} schemes.
Conformal methods in general relativity
Valiente Kroon, Juan A
2016-01-01
This book offers a systematic exposition of conformal methods and how they can be used to study the global properties of solutions to the equations of Einstein's theory of gravity. It shows that combining these ideas with differential geometry can elucidate the existence and stability of the basic solutions of the theory. Introducing the differential geometric, spinorial and PDE background required to gain a deep understanding of conformal methods, this text provides an accessible account of key results in mathematical relativity over the last thirty years, including the stability of de Sitter and Minkowski spacetimes. For graduate students and researchers, this self-contained account includes useful visual models to help the reader grasp abstract concepts and a list of further reading, making this the perfect reference companion on the topic.
Conformational sampling of peptides in cellular environments.
Tanizaki, Seiichiro; Clifford, Jacob; Connelly, Brian D; Feig, Michael
2008-02-01
Biological systems provide a complex environment that can be understood in terms of its dielectric properties. High concentrations of macromolecules and cosolvents effectively reduce the dielectric constant of cellular environments, thereby affecting the conformational sampling of biomolecules. To examine this effect in more detail, the conformational preference of alanine dipeptide, poly-alanine, and melittin in different dielectric environments is studied with computer simulations based on recently developed generalized Born methodology. Results from these simulations suggest that extended conformations are favored over alpha-helical conformations at the dipeptide level at and below dielectric constants of 5-10. Furthermore, lower-dielectric environments begin to significantly stabilize helical structures in poly-alanine at epsilon = 20. In the more complex peptide melittin, different dielectric environments shift the equilibrium between two main conformations: a nearly fully extended helix that is most stable in low dielectrics and a compact, V-shaped conformation consisting of two helices that is preferred in higher dielectric environments. An additional conformation is only found to be significantly populated at intermediate dielectric constants. Good agreement with previous studies of different peptides in specific, less-polar solvent environments, suggest that helix stabilization and shifts in conformational preferences in such environments are primarily due to a reduced dielectric environment rather than specific molecular details. The findings presented here make predictions of how peptide sampling may be altered in dense cellular environments with reduced dielectric response.
Conformational Sampling of Peptides in Cellular Environments☆
Tanizaki, Seiichiro; Clifford, Jacob; Connelly, Brian D.; Feig, Michael
2008-01-01
Abstract Biological systems provide a complex environment that can be understood in terms of its dielectric properties. High concentrations of macromolecules and cosolvents effectively reduce the dielectric constant of cellular environments, thereby affecting the conformational sampling of biomolecules. To examine this effect in more detail, the conformational preference of alanine dipeptide, poly-alanine, and melittin in different dielectric environments is studied with computer simulations based on recently developed generalized Born methodology. Results from these simulations suggest that extended conformations are favored over α-helical conformations at the dipeptide level at and below dielectric constants of 5–10. Furthermore, lower-dielectric environments begin to significantly stabilize helical structures in poly-alanine at ɛ = 20. In the more complex peptide melittin, different dielectric environments shift the equilibrium between two main conformations: a nearly fully extended helix that is most stable in low dielectrics and a compact, V-shaped conformation consisting of two helices that is preferred in higher dielectric environments. An additional conformation is only found to be significantly populated at intermediate dielectric constants. Good agreement with previous studies of different peptides in specific, less-polar solvent environments, suggest that helix stabilization and shifts in conformational preferences in such environments are primarily due to a reduced dielectric environment rather than specific molecular details. The findings presented here make predictions of how peptide sampling may be altered in dense cellular environments with reduced dielectric response. PMID:17905846
Extension of the linear nodal method to large concrete building calculations
International Nuclear Information System (INIS)
Childs, R.L.; Rhoades, W.A.
1985-01-01
The implementation of the linear nodal method in the TORT code is described, and the results of a mesh refinement study to test the effectiveness of the linear nodal and weighted diamond difference methods available in TORT are presented
Note on the nodal line of the p-Laplacian
Directory of Open Access Journals (Sweden)
Abdel R. El Amrouss
2006-09-01
Full Text Available In this paper, we prove that the length of the nodal line of the eigenfunctions associated to the second eigenvalue of the problem $$ -Delta_p u = lambda ho (x |u|^{p-2}u quad hbox{in } Omega $$ with the Dirichlet conditions is not bounded uniformly with respect to the weight.
CRY 1AB trangenic cowpea obtained by nodal electroporation ...
African Journals Online (AJOL)
Electroporation-mediated genetic transformation was used to introduce Cry 1 Ab insecticidal gene into cowpea. Nodal buds were electroporated in planta with a plasmid carrying the Cry 1Ab and antibiotic resistance npt II genes driven by a 35S CaMV promoter. T1 seeds derived from electroporated branches were selected ...
In vitro mass multiplication of pomegranate from cotyledonary nodal ...
African Journals Online (AJOL)
For surface sterilization of explants, treatment involving HgCl2 (0.1 %) for 3 min gave better sterilization of cotyledonary nodal explants. The maximum percentage establishment of cotyledonary node explants was observed on Murashige and Skoog (MS) medium + 1.0 mg/l 6-benzylaminopurine (BAP) + 0.5 mg/l ...
Exploitation of petiole, nodal segment, bulbil and tuber anatomy for ...
African Journals Online (AJOL)
All slides were examined under the light microscope at x100 and x400 magnifications and photos were taken using digital camera mounted on Zenith Ultra-500 A light microscope. Petiole and nodal segments anatomy showed six and nine vascular bundles, respectively in D. hirtiflora, whereas eight and eleven bundles ...
Nodal prices determination with wind integration for radial ...
African Journals Online (AJOL)
bus test system. Keywords: Distribution system, electricity market; nodal prices, wind power integration. DOI: http://dx.doi.org/10.4314/ijest.v9i3.2. 1. Introduction. Competitive ... generated real power, generated reactive power, real power demand and reactive power demand are represented by. , ,. , and . is the angle at node ...
In vitro basal and nodal microtuberization in yam shoot cultures ...
African Journals Online (AJOL)
In vitro basal and nodal microtuberization in yam shoot cultures ( Discorea rotundata poir, cv. Obiaoturugo) under nutritional stress conditions. ... The shoot cultures began to produce excessive roots at the nodes apart from the shoot tip. Subsequently microtubers developed at the position of the axiliary buds subtended by ...
Nodal prices determination with wind integration for radial ...
African Journals Online (AJOL)
Like transmission pricing, distribution network pricing must also be transparent and must include tile variations based on the change in the operating state of the system, integration of renewable sources and must be real time. In this paper, a distribution system nodal pricing scheme is proposed for radial distribution system ...
Conformation Generation: The State of the Art.
Hawkins, Paul C D
2017-08-28
The generation of conformations for small molecules is a problem of continuing interest in cheminformatics and computational drug discovery. This review will present an overview of methods used to sample conformational space, focusing on those methods designed for organic molecules commonly of interest in drug discovery. Different approaches to both the sampling of conformational space and the scoring of conformational stability will be compared and contrasted, with an emphasis on those methods suitable for conformer sampling of large numbers of drug-like molecules. Particular attention will be devoted to the appropriate utilization of information from experimental solid-state structures in validating and evaluating the performance of these tools. The review will conclude with some areas worthy of further investigation.
47 CFR 101.503 - Digital Electronic Message Service Nodal Stations.
2010-10-01
... Service § 101.503 Digital Electronic Message Service Nodal Stations. 10.6 GHz DEMS Nodal Stations may be... 47 Telecommunication 5 2010-10-01 2010-10-01 false Digital Electronic Message Service Nodal Stations. 101.503 Section 101.503 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY...
International Nuclear Information System (INIS)
Kozameh, C.N.; Newman, E.T.; Tod, K.P.
1985-01-01
Conformal transformations in four-dimensional. In particular, a new set of two necessary and sufficient conditions for a space to be conformal to an Einstein space is presented. The first condition defines the class of spaces conformal to C spaces, whereas the last one (the vanishing of the Bach tensor) gives the particular subclass of C spaces which are conformally related to Einstein spaces. (author)
Viscous conformal gauge theories
DEFF Research Database (Denmark)
Toniato, Arianna; Sannino, Francesco; Rischke, Dirk H.
2017-01-01
We present the conformal behavior of the shear viscosity-to-entropy density ratio and the fermion-number diffusion coefficient within the perturbative regime of the conformal window for gauge-fermion theories.......We present the conformal behavior of the shear viscosity-to-entropy density ratio and the fermion-number diffusion coefficient within the perturbative regime of the conformal window for gauge-fermion theories....
Superspace conformal field theory
International Nuclear Information System (INIS)
Quella, Thomas
2013-07-01
Conformal sigma models and WZW models on coset superspaces provide important examples of logarithmic conformal field theories. They possess many applications to problems in string and condensed matter theory. We review recent results and developments, including the general construction of WZW models on type I supergroups, the classification of conformal sigma models and their embedding into string theory.
Superspace conformal field theory
Energy Technology Data Exchange (ETDEWEB)
Quella, Thomas [Koeln Univ. (Germany). Inst. fuer Theoretische Physik; Schomerus, Volker [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
2013-07-15
Conformal sigma models and WZW models on coset superspaces provide important examples of logarithmic conformal field theories. They possess many applications to problems in string and condensed matter theory. We review recent results and developments, including the general construction of WZW models on type I supergroups, the classification of conformal sigma models and their embedding into string theory.
Lunar nodal tide and distance to the moon during the Precambrian
Walker, J. C. G.; Zahnle, K. J.
1986-01-01
The first direct determination of the lunar distance in the Precambrian is presented. A 23.3 + or - 0.3 yr periodicity preserved in 2500 Myr BP Australian banded iron formation is interpreted as reflecting the climatic influence of the lunar nodal tide, which has been detected with its modern 18.6-yr periodicity in some modern climate records. The lunar distance at 2500 Myr BP would then have been about 52 earth radii. The implied history of precambrian tidal friction is in accord with both the more recent paleontological evidence and the long-term stability of the lunar orbit. The length of the Milankovitch cycles that modulate the ice ages today also evolve with the earth-moon system. Their detection in the Precambrian sedimentary record would then permit an independent determination of the lunar distance.
Anomalous contagion and renormalization in networks with nodal mobility
Manrique, Pedro D.; Qi, Hong; Zheng, Minzhang; Xu, Chen; Hui, Pak Ming; Johnson, Neil F.
2016-07-01
A common occurrence in everyday human activity is where people join, leave and possibly rejoin clusters of other individuals —whether this be online (e.g. social media communities) or in real space (e.g. popular meeting places such as cafes). In the steady state, the resulting interaction network would appear static over time if the identities of the nodes are ignored. Here we show that even in this static steady-state limit, a non-zero nodal mobility leads to a diverse set of outbreak profiles that is dramatically different from known forms, and yet matches well with recent real-world social outbreaks. We show how this complication of nodal mobility can be renormalized away for a particular class of networks.
The variational nodal method: history and recent accomplishments
International Nuclear Information System (INIS)
Lewis, E.E.
2004-01-01
The variational nodal method combines spherical harmonics expansions in angle with hybrid finite element techniques is space to obtain multigroup transport response matrix algorithms applicable to both deep penetration and reactor core physics problems. This survey briefly recounts the method's history and reviews its capabilities. The variational basis for the approach is presented and two methods for obtaining discretized equations in the form of response matrices are detailed. The first is that contained the widely used VARIANT code, while the second incorporates newly developed integral transport techniques into the variational nodal framework. The two approaches are combined with a finite sub element formulation to treat heterogeneous nodes. Applications are presented for both a deep penetration problem and to an OECD benchmark consisting of LWR MOX fuel assemblies. Ongoing work is discussed. (Author)
New procedure for criticality search using coarse mesh nodal methods
International Nuclear Information System (INIS)
Pereira, Wanderson F.; Silva, Fernando C. da; Martinez, Aquilino S.
2011-01-01
The coarse mesh nodal methods have as their primary goal to calculate the neutron flux inside the reactor core. Many computer systems use a specific form of calculation, which is called nodal method. In classical computing systems that use the criticality search is made after the complete convergence of the iterative process of calculating the neutron flux. In this paper, we proposed a new method for the calculation of criticality, condition which will be over very iterative process of calculating the neutron flux. Thus, the processing time for calculating the neutron flux was reduced by half compared with the procedure developed by the Nuclear Engineering Program of COPPE/UFRJ (PEN/COPPE/UFRJ). (author)
New procedure for criticality search using coarse mesh nodal methods
Energy Technology Data Exchange (ETDEWEB)
Pereira, Wanderson F.; Silva, Fernando C. da; Martinez, Aquilino S., E-mail: wneto@con.ufrj.b, E-mail: fernando@con.ufrj.b, E-mail: Aquilino@lmp.ufrj.b [Coordenacao dos Programas de Pos-Graduacao de Engenharia (PEN/COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Programa de Engenharia Nuclear
2011-07-01
The coarse mesh nodal methods have as their primary goal to calculate the neutron flux inside the reactor core. Many computer systems use a specific form of calculation, which is called nodal method. In classical computing systems that use the criticality search is made after the complete convergence of the iterative process of calculating the neutron flux. In this paper, we proposed a new method for the calculation of criticality, condition which will be over very iterative process of calculating the neutron flux. Thus, the processing time for calculating the neutron flux was reduced by half compared with the procedure developed by the Nuclear Engineering Program of COPPE/UFRJ (PEN/COPPE/UFRJ). (author)
SPANDOM - source projection analytic nodal discrete ordinates method
International Nuclear Information System (INIS)
Kim, Tae Hyeong; Cho, Nam Zin
1994-01-01
We describe a new discrete ordinates nodal method for the two-dimensional transport equation. We solve the discrete ordinates equation analytically after the source term is projected and represented in polynomials. The method is applied to two fast reactor benchmark problems and compared with the TWOHEX code. The results indicate that the present method accurately predicts not only multiplication factor but also flux distribution
Torsionfree sheaves over a nodal curve of arithmetic genus one
Indian Academy of Sciences (India)
(n, d) is empty. Let X be a geometrically irreducible nodal curve of arithmetic genus one defined over R. We assume that X does not have any other real points apart from the node. Let UX(n, d) denote the moduli space of semistable torsionfree sheaves of rank n and degree d on X, and let U. X. (n, d) ⊂ UX(n, d) be the open ...
Nodal equivalence theory for hexagonal geometry, thermal reactor analysis
International Nuclear Information System (INIS)
Zika, M.; Downar, T.
1992-01-01
An important aspect of advanced nodal methods is the determination of equivalent few-group parameters for the relatively large homogenized regions used in the nodal flux solution. The theoretical foundation for light water reactor (LWR) assembly homogenization methods has been clearly established, and during the last several years, its successes have secured its position in the stable of dependable LWR analysis methods. Groupwise discontinuity factors that correct for assembly homogenization errors are routinely generated along with the group constants during lattice physics analysis. During the last several years, there has been interest in applying equivalence theory to other reactor types and other geometries. A notable effort has been the work at Argonne National Laboratory to incorporate nodal equivalence theory (NET) for hexagonal lattices into the nodal diffusion option of the DIF3D code. This work was originally intended to improve the neutronics methods used for the analysis of the Experimental Breeder Reactor II (EBR-II), and Ref. 4 discusses the success of that application. More recently, however, attempts were made to apply NET to advanced, thermal reactor designs such as the modular high-temperature gas reactor (MHTGR) and the new production heavy water reactor (NPR/HWR). The same methods that were successful for EBR-II have encountered problems for these reactors. Our preliminary analysis indicates that the sharp global flux gradients in these cores requires large discontinuity factors (greater than 4 or 5) to reproduce the reference solution. This disrupts the convergence of the iterative methods used to solve for the node-wise flux moments and partial currents. Several attempts to remedy the problem have been made over the last few years, including bounding the discontinuity factors and providing improved initial guesses for the flux solution, but nothing has been satisfactory
Flow-based market coupling. Stepping stone towards nodal pricing?
International Nuclear Information System (INIS)
Van der Welle, A.J.
2012-07-01
For achieving one internal energy market for electricity by 2014, market coupling is deployed to integrate national markets into regional markets and ultimately one European electricity market. The extent to which markets can be coupled depends on the available transmission capacities between countries. Since interconnections are congested from time to time, congestion management methods are deployed to divide the scarce available transmission capacities over market participants. For further optimization of the use of available transmission capacities while maintaining current security of supply levels, flow-based market coupling (FBMC) will be implemented in the CWE region by 2013. Although this is an important step forward, important hurdles for efficient congestion management remain. Hence, flow based market coupling is compared to nodal pricing, which is often considered as the most optimal solution from theoretical perspective. In the context of decarbonised power systems it is concluded that advantages of nodal pricing are likely to exceed its disadvantages, warranting further development of FBMC in the direction of nodal pricing.
Topological nodal loop semimetals and insulators in alkaline earth triarsenides
Pickett, Warren E.; Quan, Yundi; Dong, Lianyang; Siegrist, Theo; Trinh, Jennifer; Ramirez, Arthur J.; Li, Haoxiang; Zhou, Xiaoqing; Dessau, Daniel S.
The XAs3 class of semimetals has remained unexplored since their discovery in the 1980s by Bauhofer and von Schnering. We have discovered that this class, with X=Ca, Sr, Ba, Eu, are nodal loop semimetals (NLS), having a single loop of accidental degeneracies crossing the Fermi energy and a gap elsewhere in the zone: the nodal loop region dominates the transport Large single crystals of monoclinic SrAs3 have been synthesized, allowing studies of its magnetotransport properties andits ARPES spectrum. Density functional calculations reveal that monoclinic CaAs3, the sole insulating member of this class, would be a NLS in the absence of spin-orbit coupling (SOC). The position and characters of the nodal Fermi surfaces and associated boundard states will be discussed. The stark low symmetry of monoclinic CaAs3 (with only inversion symmetry) makes it the ``hydrogen atom'' of NLSs; unlike all other classes, space group symmetry does not provide any ``protection'' of its loop of accidental degeneracies. Supported by the NSF DMREF program.
Applications of a systematic homogenization theory for nodal diffusion methods
International Nuclear Information System (INIS)
Zhang, Hong-bin; Dorning, J.J.
1992-01-01
The authors recently have developed a self-consistent and systematic lattice cell and fuel bundle homogenization theory based on a multiple spatial scales asymptotic expansion of the transport equation in the ratio of the mean free path to the reactor characteristics dimension for use with nodal diffusion methods. The mathematical development leads naturally to self-consistent analytical expressions for homogenized diffusion coefficients and cross sections and flux discontinuity factors to be used in nodal diffusion calculations. The expressions for the homogenized nuclear parameters that follow from the systematic homogenization theory (SHT) are different from those for the traditional flux and volume-weighted (FVW) parameters. The calculations summarized here show that the systematic homogenization theory developed recently for nodal diffusion methods yields accurate values for k eff and assembly powers even when compared with the results of a fine mesh transport calculation. Thus, it provides a practical alternative to equivalence theory and GET (Ref. 3) and to simplified equivalence theory, which requires auxiliary fine-mesh calculations for assemblies embedded in a typical environment to determine the discontinuity factors and the equivalent diffusion coefficient for a homogenized assembly
BETHSY nodalization study during MID-LOOP operation
International Nuclear Information System (INIS)
Segon, V.; Bajs, T.; Debrecin, N.; Cavlina, N.
2001-01-01
The RELAP5/MOD3.2.2gamma thermal-hydraulic code has been used to simulate the International Standard Problem (ISP) 38 experiment performed at the BETHSY integral test facility. The experiment simulates a loss of residual heat removal system during mid-loop operation transient at 0.5 % (138 kW) of nominal core power value, with the pressurizer and steam generator outlet plenum manways open. The secondary side is full of air and isolated. Two calculations of the ISP38 experiment were performed, the first using a BETHSY nodalization developed for the RELAP5/MOD2 code modified for the RELAP5/MOD3.2.2gamma and the second using a more detailed BETHSY nodalization (sliced) developed for the RELAP5/MOD3.2.2gamma code at the University of Zagreb. The results of the two calculations were compared with the experimental data, and conclusions were drawn about the effect of the more detailed nodalization on the calculation results. Several sensitivity studies were performed to evaluate the effects of changing the selected parameters on the calculated results.(author)
Belkacemi, Y.; Kaidar-Person, O.; Poortmans, P.; Ozsahin, M.; Valli, M.-C.; Russell, N.; Kunkler, I.; Hermans, J.; Kuten, A.; van Tienhoven, G.; Westenberg, H.
2015-01-01
Predicting outcome of breast cancer (BC) patients based on sentinel lymph node (SLN) status without axillary lymph node dissection (ALND) is an area of uncertainty. It influences the decision-making for regional nodal irradiation (RNI). The aim of the NORA (NOdal RAdiotherapy) survey was to examine
Belkacemi, Y.; Kaidar-Person, O.; Poortmans, P.M.P.; Ozsahin, M.; Valli, M.C.; Russell, N.; Kunkler, I.; Hermans, J.J.; Kuten, A.; Tienhoven, G. van; Westenberg, H.
2015-01-01
BACKGROUND: Predicting outcome of breast cancer (BC) patients based on sentinel lymph node (SLN) status without axillary lymph node dissection (ALND) is an area of uncertainty. It influences the decision-making for regional nodal irradiation (RNI). The aim of the NORA (NOdal RAdiotherapy) survey was
UV conformal window for asymptotic safety
Bond, Andrew D.; Litim, Daniel F.; Vazquez, Gustavo Medina; Steudtner, Tom
2018-02-01
Interacting fixed points in four-dimensional gauge theories coupled to matter are investigated using perturbation theory up to three loop order. It is shown how fixed points, scaling exponents, and anomalous dimensions are obtained as a systematic power series in a small parameter. The underlying ordering principle is explained and contrasted with conventional perturbation theory and Weyl consistency conditions. We then determine the conformal window with asymptotic safety from the complete next-to-next-to-leading order in perturbation theory. Limits for the conformal window arise due to fixed point mergers, the onset of strong coupling, or vacuum instability. A consistent picture is uncovered by comparing various levels of approximation. The theory remains perturbative in the entire conformal window, with vacuum stability dictating the tightest constraints. We also speculate about a secondary conformal window at strong coupling and estimate its lower limit. Implications for model building and cosmology are indicated.
On the conformational state of photoinactivated tyrosinase
International Nuclear Information System (INIS)
Khan, I.A.; Ali, R.
1985-01-01
Ultraviolet irradiation of tyrosinase rapidly decreased the dopa oxidase activity of the enzyme. Hydrodynamic, kinetic and thermodynamic parameters revealed gross differences in the native and photoinactivated states of the enzyme. The native state of tyrosinase was characterized as a tetramer with a compact, globular and rigid conformation. However, the photoinactivated state of tyrosinase was thermodynamically less stable and unusually sensitive to temperatures as low as 35 0 C. From the dose dependent loss in conformational integrity, thermodynamic stability and catalytic activity of tyrosinase, it is speculated that there are various structural segments distributed throughout the enzyme molecule. These structural segments act as centres of major molecular forces which hold the tetrameric enzyme into a compact and globular conformation. UV modification of these segments triggers a series of conformational changes leading to formation of a partially unfolded and catalytically inactive form of tyrosinase. (author)
Conformational regulation of urokinase receptor function
DEFF Research Database (Denmark)
Gårdsvoll, Henrik; Jacobsen, Benedikte; Kriegbaum, Mette C
2011-01-01
PA per se into the hydrophobic ligand binding cavity of uPAR that modulates the function of this receptor. Based on these data, we now propose a model in which the inherent interdomain mobility in uPAR plays a major role in modulating its function. Particularly one uPAR conformation, which is stabilized...
Park, C B; Dufort, D
2011-03-01
Nodal, a secreted signaling protein in the transforming growth factor-beta (TGF-β) superfamily, has established roles in vertebrate development. However, components of the Nodal signaling pathway are also expressed at the maternal-fetal interface and have been implicated in many processes of mammalian reproduction. Emerging evidence indicates that Nodal and its extracellular inhibitor Lefty are expressed in the uterus and complex interactions between the two proteins mediate menstruation, decidualization and embryo implantation. Furthermore, several studies have shown that Nodal from both fetal and maternal sources may regulate trophoblast cell fate and facilitate placentation as both embryonic and uterine-specific Nodal knockout mouse strains exhibit disrupted placenta morphology. Here we review the established and prospective roles of Nodal signaling in facilitating successful pregnancy, including recent evidence supporting a potential link to parturition and preterm birth. Copyright © 2011 Elsevier Ltd. All rights reserved.
Solution and study of nodal neutron transport equation applying the LTSN-DiagExp method
International Nuclear Information System (INIS)
Hauser, Eliete Biasotto; Pazos, Ruben Panta; Vilhena, Marco Tullio de; Barros, Ricardo Carvalho de
2003-01-01
In this paper we report advances about the three-dimensional nodal discrete-ordinates approximations of neutron transport equation for Cartesian geometry. We use the combined collocation method of the angular variables and nodal approach for the spatial variables. By nodal approach we mean the iterated transverse integration of the S N equations. This procedure leads to the set of one-dimensional averages angular fluxes in each spatial variable. The resulting system of equations is solved with the LTS N method, first applying the Laplace transform to the set of the nodal S N equations and then obtained the solution by symbolic computation. We include the LTS N method by diagonalization to solve the nodal neutron transport equation and then we outline the convergence of these nodal-LTS N approximations with the help of a norm associated to the quadrature formula used to approximate the integral term of the neutron transport equation. (author)
Five-point form of the nodal diffusion method and comparison with finite-difference
International Nuclear Information System (INIS)
Azmy, Y.Y.
1988-01-01
Nodal Methods have been derived, implemented and numerically tested for several problems in physics and engineering. In the field of nuclear engineering, many nodal formalisms have been used for the neutron diffusion equation, all yielding results which were far more computationally efficient than conventional Finite Difference (FD) and Finite Element (FE) methods. However, not much effort has been devoted to theoretically comparing nodal and FD methods in order to explain the very high accuracy of the former. In this summary we outline the derivation of a simple five-point form for the lowest order nodal method and compare it to the traditional five-point, edge-centered FD scheme. The effect of the observed differences on the accuracy of the respective methods is established by considering a simple test problem. It must be emphasized that the nodal five-point scheme derived here is mathematically equivalent to previously derived lowest order nodal methods. 7 refs., 1 tab
Regional nodal relapse in surgically staged Merkel cell carcinoma
International Nuclear Information System (INIS)
Hoeller, Ulrike; Mueller, Thomas; Schubert, Tina; Budach, Volker; Ghadjar, Pirus; Brenner, Winfried; Kiecker, Felix; Schicke, Bernd; Haase, Oliver
2015-01-01
The nodal relapse pattern of surgically staged Merkel cell carcinoma (MCC) with/without elective nodal radiotherapy (RT) was studied in a single institution. A total of 51 patients with MCC, 33 % UICC stage I, 14 % II, 53 % III (4 lymph node metastases of unknown primary) were eligible. All patients had surgical staging: 23 patients sentinel node biopsy (SNB), 22 patients SNB followed by lymphadenectomy (LAD) and 6 patients LAD. In all, 94 % of the primary tumors (PT) were completely resected; 57 % of patients received RT, 51 % of known PT sites, 33 % (8/24 patients) regional RT to snN0 nodes and 68 % (17/27 patients) to pN+ nodes, mean reference dose 51.5 and 50 Gy, respectively. Mean follow-up was 6 years (range 2-14 years). A total of 22 % (11/51) patients developed regional relapses (RR); the 5-year RR rate was 27 %. In snN0 sites (stage I/II), relapse occurred in 5 of 14 nonirradiated vs. none of 8 irradiated sites (p = 0.054), resulting in a 5-year RR rate of 33 % versus 0 % (p = 0.16). The crude RR rate was lower in stage I (12 %, 2/17 patients) than for stage II (43 %, 3/7 patients). In stage III (pN+), RR appeared to be less frequent in irradiated sites (18 %, 3/14 patients) compared with nonirradiated sites (33 %, 3/10 patients, p = 0.45) with 5-year RR rates of 23 % vs. 34 %, respectively. Our data suggest that adjuvant nodal RT plays a major role even if the sentinel nodes were negative. Adjuvant RT of the lymph nodes in patients with stage IIa tumors and RT after LAD in stage III tumors is proposed and should be evaluated prospectively. (orig.) [de
2017-11-13
Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6040--17-9760 Equilibrium Wall-Model Implementation in a Nodal Finite Element Flow...DATES COVERED (From - To) 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Equilibrium Wall-Model Implementation in a Nodal Finite Element Flow Solver...Approved for public release; distribution is unlimited. 13. SUPPLEMENTARY NOTES 14. ABSTRACT The equilibrium wall model is implemented in a nodal
Approximate Schur complement preconditioning of the lowest order nodal discretizations
Energy Technology Data Exchange (ETDEWEB)
Moulton, J.D.; Ascher, U.M. [Univ. of British Columbia, Vancouver, British Columbia (Canada); Morel, J.E. [Los Alamos National Lab., NM (United States)
1996-12-31
Particular classes of nodal methods and mixed hybrid finite element methods lead to equivalent, robust and accurate discretizations of 2nd order elliptic PDEs. However, widespread popularity of these discretizations has been hindered by the awkward linear systems which result. The present work exploits this awkwardness, which provides a natural partitioning of the linear system, by defining two optimal preconditioners based on approximate Schur complements. Central to the optimal performance of these preconditioners is their sparsity structure which is compatible with Dendy`s black box multigrid code.
Nodal line optimization and its application to violin top plate design
Yu, Yonggyun; Jang, In Gwun; Kim, In Kyum; Kwak, Byung Man
2010-10-01
In the literature, most problems of structural vibration have been formulated to adjust a specific natural frequency: for example, to maximize the first natural frequency. In musical instruments like a violin; however, mode shapes are equally important because they are related to sound quality in the way that natural frequencies are related to the octave. The shapes of nodal lines, which represent the natural mode shapes, are generally known to have a unique feature for good violins. Among the few studies on mode shape optimization, one typical study addresses the optimization of nodal point location for reducing vibration in a one-dimensional beam structure. However, nodal line optimization, which is required in violin plate design, has not yet been considered. In this paper, the central idea of controlling the shape of the nodal lines is proposed and then applied to violin top plate design. Finite element model for a violin top plate was constructed using shell elements. Then, optimization was performed to minimize the square sum of the displacement of selected nodes located along the target nodal lines by varying the thicknesses of the top plate. We conducted nodal line optimization for the second and the fifth modes together at the same time, and the results showed that the nodal lines obtained match well with the target nodal lines. The information on plate thickness distribution from nodal line optimization would be valuable for tailored trimming of a violin top plate for the given performances.
The impact of audit and feedback on nodal harvest in colorectal cancer
Directory of Open Access Journals (Sweden)
Bu Jingyu
2011-01-01
Full Text Available Abstract Background Adequate nodal harvest (≥ 12 lymph nodes in colorectal cancer has been shown to optimize staging and proposed as a quality indicator of colorectal cancer care. An audit within a single health district in Nova Scotia, Canada presented and published in 2002, revealed that adequate nodal harvest occurred in only 22% of patients. The goal of this current study was to identify factors associated with adequate nodal harvest, and specifically to examine the impact of the audit and feedback strategy on nodal harvest. Methods This population-based study included all patients undergoing resection for primary colorectal cancer in Nova Scotia, Canada, from 01 January 2001 to 31 December 2005. Linkage of the provincial cancer registry with other databases (hospital discharge, physician claims data, and national census data provided clinicodemographic, diagnostic, and treatment-event data. Factors associated with adequate nodal harvest were examined using multivariate logistic regression. The specific interaction between year and health district was examined to identify any potential effect of dissemination of the previously-performed audit. Results Among the 2,322 patients, the median nodal harvest was 8; overall, 719 (31% had an adequate nodal harvest. On multivariate analysis, audited health district (p Conclusions Improvements in colorectal cancer nodal harvest did occur over time. A published audit demonstrating suboptimal nodal harvest appeared to be an effective knowledge translation tool, though more so for the audited health district, suggesting a potentially beneficial effect of audit and feedback strategies.
Conformal invariance in supergravity
International Nuclear Information System (INIS)
Bergshoeff, E.A.
1983-01-01
In this thesis the author explains the role of conformal invariance in supergravity. He presents the complete structure of extended conformal supergravity for N <= 4. The outline of this work is as follows. In chapter 2 he briefly summarizes the essential properties of supersymmetry and supergravity and indicates the use of conformal invariance in supergravity. The idea that the introduction of additional symmetry transformations can make clear the structure of a field theory is not reserved to supergravity only. By means of some simple examples it is shown in chapter 3 how one can always introduce additional gauge transformations in a theory of massive vector fields. Moreover it is shown how the gauge invariant formulation sometimes explains the quantum mechanical properties of the theory. In chapter 4 the author defines the conformal transformations and summarizes their main properties. He explains how these conformal transformations can be used to analyse the structure of gravity. The supersymmetric extension of these results is discussed in chapter 5. Here he describes as an example how N=1 supergravity can be reformulated in a conformally-invariant way. He also shows that beyond N=1 the gauge fields of the superconformal symmetries do not constitute an off-shell field representation of extended conformal supergravity. Therefore, in chapter 6, a systematic method to construct the off-shell formulation of all extended conformal supergravity theories with N <= 4 is developed. As an example he uses this method to construct N=1 conformal supergravity. Finally, in chapter 7 N=4 conformal supergravity is discussed. (Auth.)
International Nuclear Information System (INIS)
Giraud, P.; Dubray, B.; Helfre, S.; Dauphinot, C.; Rosenwald, J.C.; Cosset, J.M.; Rycke, Y. de; Minet, P.; Danhier, S.
2001-01-01
Purpose. - Conformal irradiation of non-small cell lung carcinoma (NSCLC) is largely based on a precise definition of the nodal clinical target volume (CTVn). The reduction of the number of nodal stations to be irradiated would render tumor dose escalation more achievable. The aim of this work was to design an mathematical tool based on documented data, that would predict the risk of metastatic involvement for each nodal station. Methods and material. - From the large surgical series published in the literature we looked at the main pre-treatment parameters that modify the risk of nodal invasion. The probability of involvement for the 17 nodal stations described by the American Thoracic Society (ATS) was computed from all these publications and then weighted according to the French epidemiological data. Starting from the primitive location of the tumour as the main characteristic, we built a probabilistic tree for each nodal station representing the risk distribution as a function of each tumor feature. From the statistical point of view, we used the inversion of probability trees method described by Weinstein and Feinberg. Results. -Taking into account all the different parameters of I the pre-treatment staging relative to each level of the ATS map brings up to 20,000 different combinations. The first chosen parameters in the tree were, depending on the tumour location, the histological classification, the metastatic stage, the nodal stage weighted in function of the sensitivity and specificity of the diagnostic examination used (PET scan, CAT scan) and the tumoral stage. A software is proposed to compute a predicted probability of involvement of each nodal station for any given clinical presentation.Conclusion. -To better define the CTVn in NSCLC 3DRT, we propose a software that evaluates the mediastinal nodal involvement risk from easily accessible individual pretreatment parameters. (authors)
Directory of Open Access Journals (Sweden)
Bingsheng Huang
2017-01-01
Full Text Available Objective. To determine if the perfusion parameters by dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI of regional nodal metastasis are helpful in characterizing nodal status and to understand the relationship with those of primary tumor of nasopharyngeal carcinoma (NPC. Materials and Methods. Newly diagnosed patients imaged between August 2010 and January 2014 and who were found to have enlarged retropharyngeal/cervical lymph nodes suggestive of nodal disease were recruited. DCE-MRI was performed. Three quantitative parameters, Ktrans, ve, and kep, were calculated for the largest node in each patient. Kruskal-Wallis test was used to evaluate the difference in the parameters of the selected nodes of different N stages. Spearman’s correlation was used to evaluate the relationship between the DCE-MRI parameters in nodes and in primary tumors. Results. Twenty-six patients (7 females; 25~67 years old were enrolled. Ktrans was significantly different among the patients of N stages (N1, n=3; N2, n=17; N3, n=6, P=0.015. Median values (range for N1, N2, and N3 were 0.24 min−1 (0.17~0.26 min−1, 0.29 min−1 (0.17~0.46 min−1, and 0.46 min−1 (0.29~0.70 min−1, respectively. There was no significant correlation between the parameters in nodes and primary tumors. Conclusion. DCE-MRI may play a distinct role in characterizing the metastatic cervical lymph nodes of NPC.
Directory of Open Access Journals (Sweden)
A. R. Moradi
2017-03-01
Full Text Available Congestion and overloading for lines are the main problems in the exploitation of power grids. The consequences of these problems in deregulated systems can be mentioned as sudden jumps in prices in some parts of the power system, lead to an increase in market power and reduction of competition in it. FACTS devices are efficient, powerful and economical tools in controlling power flows through transmission lines that play a fundamental role in congestion management. However, after removing congestion, power systems due to targeting security restrictions may be managed with a lower voltage or transient stability rather than before removing. Thus, power system stability should be considered within the construction of congestion management. In this paper, a multi-objective structure is presented for congestion management that simultaneously optimizes goals such as total operating cost, voltage and transient security. In order to achieve the desired goals, locating and sizing of series FACTS devices are done with using components of nodal prices and the newly developed grey wolf optimizer (GWO algorithm, respectively. In order to evaluate reliability of mentioned approaches, a simulation is done on the 39-bus New England network.
Dess, Robert T; Liss, Adam L; Griffith, Kent A; Marsh, Robin B; Moran, Jean M; Mayo, Charles; Koelling, Todd M; Jagsi, Reshma; Hayman, James A; Pierce, Lori J
2017-12-01
Regional nodal irradiation, including radiation therapy (RT) to the internal mammary node (IMN) region, improves oncologic outcomes in patients with node-positive breast cancer. Concern remains, however, given the proximity of the IMNs to the heart and the association between cardiac RT exposure and toxicity. The objective of the study was to evaluate rates of ischemic cardiac events (ICEs) and associated risk with treatment of the IMN region. The cardiac outcomes of 2126 patients treated with adjuvant breast RT or breast and nodal RT from 1984 to 2007 at a single institution were reviewed. The primary endpoint was an ICE following RT initiation. The association between IMN RT and ICEs was assessed using Cox proportional hazards models. Treatment with both IMN RT and 3-dimensional (3D) conformal radiation therapy (CRT) began in 1997; therefore, subset analyses of patients with only 3D CRT were performed to minimize bias associated with improved treatment technique. The median follow-up period was 9.3 years. An ICE occurred in 87 patients (4.1%). No increased 10-year rate of ICEs was observed with IMN RT compared with no IMN RT in the total cohort (3.2% [95% confidence interval (CI), 2.4%-4.3%] vs 3.4% [95% CI, 1.5%-7.5%]; hazard ratio [HR], 0.88; P=.73). Similarly, no statistically significant difference was noted in the 3D CRT-planned, left-sided disease subset (5.1% [95% CI, 1.8%-14.1%] vs 4.0% [95% CI, 2.0%-8.0%]; HR, 1.18, P=.76). On multivariate analysis, adjusting for cardiac risk factor imbalances, no significantly increased hazard was noted with IMN RT (HR, 1.84; P=.28) in the 3D CRT-planned, left-sided disease subset. No statistically significant association between IMN RT and ICEs was demonstrated in a review of patients treated at a single institution from 1984 to 2007. Given the long natural history and low overall rate of ICEs, continued follow-up of this study, as well as additional studies in the 3D CRT era, is warranted to confirm these results
Hereditary bone dysplasia with pathological fractures and nodal osteoarthropathy
Energy Technology Data Exchange (ETDEWEB)
Arendse, Regan [University of Stellenbosch, Department of Medicine, Tygerberg Hospital, Stellenbosch (South Africa); University of Cape Town, Division of Rheumatology, Groote Schuur Hospital, Cape Town (South Africa); Brink, Paul [University of Stellenbosch, Department of Medicine, Tygerberg Hospital, Stellenbosch (South Africa); Beighton, Peter [University of Cape Town, Division of Human Genetics, Faculty of Health Sciences, Cape Town (South Africa)
2009-12-15
A father and daughter both had multiple pathological fractures and nodal osteoarthropathy. The father, aged 50 years, had at least 20 healed fractures of the axial and appendicular skeleton, sustained by minor trauma over his 50-year lifespan, many of which had been surgically fixed prior to his first presentation to us. Fractures of the clavicles, thoracic cage and long bones of the arms and legs, had healed with malalignment and deformity. Healed fractures were complicated by ankylosis of the cervical vertebrae and both elbows. He also had osteoarthritis of the hands, with exuberant osteophytosis, and profound perceptive deafness. His general health was good, his intellect and facies were normal, and his sclerae were white. The daughter, aged 27 years, had sustained at least seven fractures of the axial and appendicular skeleton following trivial injuries, in distribution similar to those of the father. She had also experienced painful swelling of the fingers, which preceded progressive development of nodal osteoarthropathy. Her hearing was normal. In both individuals, biochemical and immunological investigations yielded normal results. It was not possible for molecular studies to be undertaken. Pedigree data were consistent with autosomal dominant transmission, and this disorder appeared to be a previously undocumented heritable skeletal dysplasia. (orig.)
Correlation and transport phenomena in topological nodal-loop semimetals
Liu, Jianpeng; Balents, Leon
We theoretically study the unique physical properties of topological nodal-loop semimetals protected by the coexistence of time-reversal and inversion symmetries with negligible spin-orbit coupling. We argue that strong correlation effects occur at the surface of such systems for relatively small Hubbard interaction U, due to the narrow bandwidth of the ``drumhead'' surface states. Our Hartree-Fock and RPA calculations indicate that surface ferromagnetic and surface charge-ordered phases appear at small interactions, whose order parameters are exponentially localized at the surface. The transition from a non-ordered to a surface ferromagnetic phase is characterized by the surface-mode divergence of spin susceptibility. The quantum critical behavior of the surface ferromagnetic transition is nontrivial in the sense that the surface spin order parameter couple to Fermi-surface excitations from both surface and bulk states, leading to unconventional Landau damping and consequently a naive dynamical critical exponent z 1 . We also show that, quantum oscillations arise due to bulk states. The bulk magnetic susceptibility diverges logarithmically whenever the nodal loop exactly overlaps with a quantized magnetic orbit in the bulk Brillouin zone. This work was supported by the National Science Foundation under Grant NSF DMR1506119.
Conformal expansions and renormalons
Energy Technology Data Exchange (ETDEWEB)
Rathsman, J.
2000-02-07
The coefficients in perturbative expansions in gauge theories are factorially increasing, predominantly due to renormalons. This type of factorial increase is not expected in conformal theories. In QCD conformal relations between observables can be defined in the presence of a perturbative infrared fixed-point. Using the Banks-Zaks expansion the authors study the effect of the large-order behavior of the perturbative series on the conformal coefficients. The authors find that in general these coefficients become factorially increasing. However, when the factorial behavior genuinely originates in a renormalon integral, as implied by a postulated skeleton expansion, it does not affect the conformal coefficients. As a consequence, the conformal coefficients will indeed be free of renormalon divergence, in accordance with previous observations concerning the smallness of these coefficients for specific observables. The authors further show that the correspondence of the BLM method with the skeleton expansion implies a unique scale-setting procedure. The BLM coefficients can be interpreted as the conformal coefficients in the series relating the fixed-point value of the observable with that of the skeleton effective charge. Through the skeleton expansion the relevance of renormalon-free conformal coefficients extends to real-world QCD.
The impact of audit and feedback on nodal harvest in colorectal cancer.
Porter, Geoffrey A; Urquhart, Robin; Bu, Jingyu; Johnson, Paul; Grunfeld, Eva
2011-01-03
Adequate nodal harvest (≥ 12 lymph nodes) in colorectal cancer has been shown to optimize staging and proposed as a quality indicator of colorectal cancer care. An audit within a single health district in Nova Scotia, Canada presented and published in 2002, revealed that adequate nodal harvest occurred in only 22% of patients. The goal of this current study was to identify factors associated with adequate nodal harvest, and specifically to examine the impact of the audit and feedback strategy on nodal harvest. This population-based study included all patients undergoing resection for primary colorectal cancer in Nova Scotia, Canada, from 01 January 2001 to 31 December 2005. Linkage of the provincial cancer registry with other databases (hospital discharge, physician claims data, and national census data) provided clinicodemographic, diagnostic, and treatment-event data. Factors associated with adequate nodal harvest were examined using multivariate logistic regression. The specific interaction between year and health district was examined to identify any potential effect of dissemination of the previously-performed audit. Among the 2,322 patients, the median nodal harvest was 8; overall, 719 (31%) had an adequate nodal harvest. On multivariate analysis, audited health district (p advanced stage (p = 0.008), and previous cancer history (p = 0.03) were associated with an increased likelihood of an adequate nodal harvest. Interaction between year and audited health district was identified (p = 0.006) such that the increase in adequate nodal harvest over time was significantly greater in the audited health district. Improvements in colorectal cancer nodal harvest did occur over time. A published audit demonstrating suboptimal nodal harvest appeared to be an effective knowledge translation tool, though more so for the audited health district, suggesting a potentially beneficial effect of audit and feedback strategies.
Conformal and non conformal dilaton gravity
Alvarez, Enrique; Herrero-Valea, Mario; Martín, C. P.
2014-10-01
The quantum dynamics of the gravitational field non-minimally coupled to an (also dynamical) scalar field is studied in the broken phase. For a particular value of the coupling the system is classically conformal, and can actually be understood as the group averaging of Einstein-Hilbert's action under conformal transformations. Conformal invariance implies a simple Ward identity asserting that the trace of the equation of motion for the graviton is the equation of motion of the scalar field. We perform an explicit one-loop computation to show that the DeWitt effective action is not UV divergent on shell and to find that the Weyl symmetry Ward identity is preserved on shell at that level. We also discuss the fate of this Ward identity at the two-loop level — under the assumption that the two-loop UV divergent part of the effective action can be retrieved from the Goroff-Sagnotti counterterm — and show that its preservation in the renormalized theory requires the introduction of counterterms which exhibit a logarithmic dependence on the dilaton field.
Directory of Open Access Journals (Sweden)
Valerio Faraoni
2013-07-01
Full Text Available A massive scalar field in a curved spacetime can propagate along the light cone, a causal pathology, which can, in principle, be eliminated only if the scalar couples conformally to the Ricci curvature of spacetime. This property mandates conformal coupling for the field driving inflation in the early universe. During slow-roll inflation, this coupling can cause super-acceleration and, as a signature, a blue spectrum of primordial gravitational waves.
Delineating the conformal window
DEFF Research Database (Denmark)
Frandsen, Mads Toudal; Pickup, Thomas; Teper, Michael
2011-01-01
We identify and characterise the conformal window in gauge theories relevant for beyond the standard model building, e.g. Technicolour, using the criteria of metric confinement and causal analytic couplings, which are known to be consistent with the phase diagram of supersymmetric QCD from Seiberg...... duality. Using these criteria we find perturbation theory to be consistent throughout the predicted conformal window for several of these gauge theories and we discuss recent lattice results in the light of our findings....
Conformable variational iteration method
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Omer Acan
2017-02-01
Full Text Available In this study, we introduce the conformable variational iteration method based on new defined fractional derivative called conformable fractional derivative. This new method is applied two fractional order ordinary differential equations. To see how the solutions of this method, linear homogeneous and non-linear non-homogeneous fractional ordinary differential equations are selected. Obtained results are compared the exact solutions and their graphics are plotted to demonstrate efficiency and accuracy of the method.
Quantum massive conformal gravity
Energy Technology Data Exchange (ETDEWEB)
Faria, F.F. [Universidade Estadual do Piaui, Centro de Ciencias da Natureza, Teresina, PI (Brazil)
2016-04-15
We first find the linear approximation of the second plus fourth order derivative massive conformal gravity action. Then we reduce the linearized action to separated second order derivative terms, which allows us to quantize the theory by using the standard first order canonical quantization method. It is shown that quantum massive conformal gravity is renormalizable but has ghost states. A possible decoupling of these ghost states at high energies is discussed. (orig.)
Kuper-Hommel, M.J.; Schans, S.A. van de; Vreugdenhil, G.; Krieken, J.H.J.M. van; Coebergh, J.W.W.
2013-01-01
Abstract Population-based studies analyzing clinical implications of nodal versus extranodal (EN) presentation of diffuse large B-cell lymphoma (DLBCL) are scarce. We studied clinical differences and trends in incidence, treatment and survival of nodal and EN DLBCL in a population-based cohort. All
LOLA SYSTEM: A code block for nodal PWR simulation. Part. I - Simula-3 Code
Energy Technology Data Exchange (ETDEWEB)
Aragones, J. M.; Ahnert, C.; Gomez Santamaria, J.; Rodriguez Olabarria, I.
1985-07-01
Description of the theory and users manual of the SIMULA-3 code, which is part of the core calculation system by nodal theory in one group, called LOLA SYSTEM. SIMULA-3 is the main module of the system, it uses a modified nodal theory, with interface leakages equivalent to the diffusion theory. (Author) 4 refs.
Assessment of Effect on LBLOCA PCT for Change in Upper Head Nodalization
International Nuclear Information System (INIS)
Kang, Dong Gu; Huh, Byung Gil; Yoo, Seung Hun; Bang, Youngseok; Seul, Kwangwon; Cho, Daehyung
2014-01-01
In this study, the best estimate plus uncertainty (BEPU) analysis of LBLOCA for original and modified nodalizations was performed, and the effect on LBLOCA PCT for change in upper head nodalization was assessed. In this study, the best estimate plus uncertainty (BEPU) analysis of LBLOCA for original and modified nodalizations was performed, and the effect on LBLOCA PCT for change in upper head nodalization was assessed. It is confirmed that modification of upper head nodalization influences PCT behavior, especially in the reflood phase. In conclusions, the modification of nodalization to reflect design characteristic of upper head temperature should be done to predict PCT behavior accurately in LBLOCA analysis. In the best estimate (BE) method with the uncertainty evaluation, the system nodalization is determined by the comparative studies of the experimental data. Up to now, it was assumed that the temperature of the upper dome in OPR-1000 was close to that of the cold leg. However, it was found that the temperature of the upper head/dome might be a little lower than or similar to that of the hot leg through the evaluation of the detailed design data. Since the higher upper head temperature affects blowdown quenching and peak cladding temperature in the reflood phase, the nodalization for upper head should be modified
LOLA SYSTEM: A code block for nodal PWR simulation. Part. I - Simula-3 Code
International Nuclear Information System (INIS)
Aragones, J. M.; Ahnert, C.; Gomez Santamaria, J.; Rodriguez Olabarria, I.
1985-01-01
Description of the theory and users manual of the SIMULA-3 code, which is part of the core calculation system by nodal theory in one group, called LOLA SYSTEM. SIMULA-3 is the main module of the system, it uses a modified nodal theory, with interface leakages equivalent to the diffusion theory. (Author) 4 refs
Nodal free geometric phases: Concept and application to geometric quantum computation
International Nuclear Information System (INIS)
Ericsson, Marie; Kult, David; Sjoeqvist, Erik; Aberg, Johan
2008-01-01
Nodal free geometric phases are the eigenvalues of the final member of a parallel transporting family of unitary operators. These phases are gauge invariant, always well defined, and can be measured interferometrically. Nodal free geometric phases can be used to construct various types of quantum phase gates
Kumar, Amit; Lualdi, Margaret; Lyozin, George T; Sharma, Prashant; Loncarek, Jadranka; Fu, Xin-Yuan; Kuehn, Michael R
2015-04-01
In the early mouse embryo, a specialized population of extraembryonic visceral endoderm (VE) cells called the distal VE (DVE) arises at the tip of the egg cylinder stage embryo and then asymmetrically migrates to the prospective anterior, recruiting additional distal cells. Upon migration these cells, called the anterior VE (AVE), establish the anterior posterior (AP) axis by restricting gastrulation-inducing signals to the opposite pole. The Nodal-signaling pathway has been shown to have a critical role in the generation and migration of the DVE/AVE. The Nodal gene is expressed in both the VE and in the pluripotent epiblast, which gives rise to the germ layers. Previous findings have provided conflicting evidence as to the relative importance of Nodal signaling from the epiblast vs. VE for AP patterning. Here we show that conditional mutagenesis of the Nodal gene specifically within the VE leads to reduced Nodal expression levels in the epiblast and incomplete or failed DVE/AVE migration. These results support a required role for VE Nodal to maintain normal levels of expression in the epiblast, and suggest signaling from both VE and epiblast is important for DVE/AVE migration. Published by Elsevier Inc.
Nodal metastases of nasopharyngeal carcinoma: patterns of disease on MRI and FDG PET
Energy Technology Data Exchange (ETDEWEB)
Ng Shu-Hang; Ko Sheung-Fat [Department of Diagnostic Radiology, Chang Gung Memorial Hospital Linkou Medical Center (Taiwan); Chang Joseph Tung-Chieh [Department of Radiation Oncology, Chang Gung Memorial Hospital Linkou Medical Center (Taiwan); Chan Sheng-Chieh; Chang Yu-Chen; Yen Tzu-Chen [Department of Nuclear Medicine, Chang Gung Memorial Hospital Linkou Medical Center, 5 Fu-Shin St, 333, Kueishan, Taoyuan (Taiwan); Wang Hung-Ming [Department of Medical Oncology, Chang Gung Memorial Hospital Linkou Medical Center (Taiwan); Liao Chun-Ta [Department of Otorhinolaryngology, Chang Gung Memorial Hospital Linkou Medical Center (Taiwan)
2004-08-01
The patterns of nodal spread of nasopharyngeal carcinoma (NPC) have an important influence on treatment planning, but have not yet been fully addressed. We prospectively used MRI and FDG PET to document the patterns of nodal spread in NPC. One hundred and one patients with newly diagnosed NPC were studied with MRI and FDG PET. On MRI, nodes were considered as metastatic according to criteria regarding size, the presence of nodal necrosis, and extracapsular spread. FDG PET images were interpreted visually, and nodes were considered metastatic if they showed prominent FDG uptake against the background. Nodal metastases were found in 89 of our 101 patients. Analysis of the distributions of nodal metastases in these 89 patients showed that retropharyngeal nodes were less frequently involved than cervical nodes (82.0% vs 95.5%). The vast majority of cervical nodal metastases were to the internal jugular chain, including nodes at levels II, III, and IV, with decreasing incidences of 95.5%, 60.7%, and 34.8%, respectively. Level V nodal involvement was found in 27% of patients. Supraclavicular fossa nodal metastases were not uncommon and occurred in 22.5% of patients. Skip metastases in the lower-level nodes or supraclavicular fossa nodes occurred in 7.9% of patients. Mediastinal and abdominal metastatic adenopathy was present in 4.5% and 3.4% of patients, respectively, and was associated with advanced nodal metastasis in the supraclavicular fossa. Level VI (2.2%), level VII (1.1%), submandibular (2.2%), and parotid (3.4%) nodal metastases were uncommon and were always associated with advanced ipsilateral nodal metastases of the neck. We conclude that the combined use of FDG PET and MRI can comprehensively depict the pattern of nodal metastasis in NPC patients. Nodal metastases principally affected level II nodes, from which lymphatic spread extended down in an orderly manner to involve level III, level IV, and the supraclavicular fossa nodes, or extended posteriorly to
Directory of Open Access Journals (Sweden)
Bhalaghuru Chokkalingam Mani, MD
2014-01-01
Full Text Available More than half a century has passed since the concept of dual atrioventricular (AV nodal pathways physiology was conceived. Dual AV nodal pathways have been shown to be responsible for many clinical arrhythmia syndromes, most notably AV nodal reentrant tachycardia. Although there has been a considerable amount of research on this topic, the subject of dual AV nodal pathways physiology remains heavily debated and discussed. Despite advances in understanding arrhythmia mechanisms and the widespread use of invasive electrophysiologic studies, there is still disagreement on the anatomy and physiology of the AV node that is the basis of discontinuous antegrade AV conduction. The purpose of this paper is to review the concept of dual AV nodal pathways physiology and its varied electrocardiographic manifestations.
Opposing nodal and BMP signals regulate left-right asymmetry in the sea urchin larva.
Directory of Open Access Journals (Sweden)
Yi-Jyun Luo
Full Text Available Nodal and BMP signals are important for establishing left-right (LR asymmetry in vertebrates. In sea urchins, Nodal signaling prevents the formation of the rudiment on the right side. However, the opposing pathway to Nodal signaling during LR axis establishment is not clear. Here, we revealed that BMP signaling is activated in the left coelomic pouch, specifically in the veg2 lineage, but not in the small micromeres. By perturbing BMP activities, we demonstrated that BMP signaling is required for activating the expression of the left-sided genes and the formation of the left-sided structures. On the other hand, Nodal signals on the right side inhibit BMP signaling and control LR asymmetric separation and apoptosis of the small micromeres. Our findings show that BMP signaling is the positive signal for left-sided development in sea urchins, suggesting that the opposing roles of Nodal and BMP signals in establishing LR asymmetry are conserved in deuterostomes.
Black holes in massive conformal gravity
International Nuclear Information System (INIS)
Myung, Yun Soo
2014-01-01
We analyze the classical stability of Schwarzschild black hole in massive conformal gravity which was recently proposed for another massive gravity model. This model in the Jordan frame is conformally equivalent to the Einstein–Weyl gravity in the Einstein frame. The coupled linearized Einstein equation is decomposed into the traceless and trace equation when one chooses 6m 2 φ=δR. Solving the traceless equation exhibits unstable modes featuring the Gregory–Laflamme s-mode instability of five-dimensional black string, while we find no unstable modes when solving the trace equation. It is shown that the instability of the black hole in massive conformal gravity arises from the massiveness where the geometry of extra dimension trades for mass.
A nonlinear analytic function expansion nodal method for transient calculations
Energy Technology Data Exchange (ETDEWEB)
Joo, Han Gyn; Park, Sang Yoon; Cho, Byung Oh; Zee, Sung Quun [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)
1998-12-31
The nonlinear analytic function expansion nodal (AFEN) method is applied to the solution of the time-dependent neutron diffusion equation. Since the AFEN method requires both the particular solution and the homogeneous solution to the transient fixed source problem, the derivation of the solution method is focused on finding the particular solution efficiently. To avoid complicated particular solutions, the source distribution is approximated by quadratic polynomials and the transient source is constructed such that the error due to the quadratic approximation is minimized, In addition, this paper presents a new two-node solution scheme that is derived by imposing the constraint of current continuity at the interface corner points. The method is verified through a series of application to the NEACRP PWR rod ejection benchmark problems. 6 refs., 2 figs., 1 tab. (Author)
Space-angle approximations in the variational nodal method
International Nuclear Information System (INIS)
Lewis, E. E.; Palmiotti, G.; Taiwo, T.
1999-01-01
The variational nodal method is formulated such that the angular and spatial approximations maybe examined separately. Spherical harmonic, simplified spherical harmonic, and discrete ordinate approximations are coupled to the primal hybrid finite element treatment of the spatial variables. Within this framework, two classes of spatial trial functions are presented: (1) orthogonal polynomials for the treatment of homogeneous nodes and (2) bilinear finite subelement trial functions for the treatment of fuel assembly sized nodes in which fuel-pin cell cross sections are represented explicitly. Polynomial and subelement trial functions are applied to benchmark water-reactor problems containing MOX fuel using spherical harmonic and simplified spherical harmonic approximations. The resulting accuracy and computing costs are compared
Nodal domains on isospectral quantum graphs: the resolution of isospectrality?
International Nuclear Information System (INIS)
Band, Ram; Shapira, Talia; Smilansky, Uzy
2006-01-01
We present and discuss isospectral quantum graphs which are not isometric. These graphs are the analogues of the isospectral domains in R 2 which were introduced recently in Gordon et al (1992 Bull. Am. Math. Soc. 27 134-8), Chapman (1995 Am. Math. Mon. 102 124), Buser et al (1994 Int. Math. Res. Not. 9 391-400), Okada and Shudo (2001 J. Phys. A: Math. Gen. 34 5911-22), Jakobson et al (2006 J. Comput. Appl. Math. 194 141-55) and Levitin et al (2006 J. Phys. A: Math. Gen. 39 2073-82)) all based on Sunada's construction of isospectral domains (Sunada T 1985 Ann. Math. 121 196-86). After presenting some of the properties of these graphs, we discuss a few examples which support the conjecture that by counting the nodal domains of the corresponding eigenfunctions one can resolve the isospectral ambiguity
An Adaptive Approach to Variational Nodal Diffusion Problems
International Nuclear Information System (INIS)
Zhang Hui; Lewis, E.E.
2001-01-01
An adaptive grid method is presented for the solution of neutron diffusion problems in two dimensions. The primal hybrid finite elements employed in the variational nodal method are used to reduce the diffusion equation to a coupled set of elemental response matrices. An a posteriori error estimator is developed to indicate the magnitude of local errors stemming from the low-order elemental interface approximations. An iterative procedure is implemented in which p refinement is applied locally by increasing the polynomial order of the interface approximations. The automated algorithm utilizes the a posteriori estimator to achieve local error reductions until an acceptable level of accuracy is reached throughout the problem domain. Application to a series of X-Y benchmark problems indicates the reduction of computational effort achievable by replacing uniform with adaptive refinement of the spatial approximations
Static benchmarking of the NESTLE advanced nodal code
International Nuclear Information System (INIS)
Mosteller, R.D.
1997-01-01
Results from the NESTLE advanced nodal code are presented for multidimensional numerical benchmarks representing four different types of reactors, and predictions from NESTLE are compared with measured data from pressurized water reactors (PWRs). The numerical benchmarks include cases representative of PWRs, boiling water reactors (BWRs), CANDU heavy water reactors (HWRs), and high-temperature gas-cooled reactors (HTGRs). The measured PWR data include critical soluble boron concentrations and isothermal temperature coefficients of reactivity. The results demonstrate that NESTLE correctly solves the multigroup diffusion equations for both Cartesian and hexagonal geometries, that it reliably calculates k eff and reactivity coefficients for PWRs, and that--subsequent to the incorporation of additional thermal-hydraulic models--it will be able to perform accurate calculations for the corresponding parameters in BWRs, HWRs, and HTGRs as well
Contemporary Management of Recurrent Nodal Disease in Differentiated Thyroid Carcinoma
Na’ara, Shorook; Amit, Moran; Fridman, Eran; Gil, Ziv
2016-01-01
Differentiated thyroid carcinoma (DTC) comprises over 90% of thyroid tumors and includes papillary and follicular carcinomas. Patients with DTC have an excellent prognosis, with a 10-year survival rate of over 90%. However, the risk of recurrent tumor ranges between 5% and 30% within 10 years of the initial diagnosis. Cervical lymph node disease accounts for the majority of recurrences and in most cases is detected during follow-up by ultrasound or elevated levels of serum thyroglobulin. Recurrent disease is accompanied by increased morbidity. The mainstay of treatment of nodal recurrence is surgical management. We provide an overview of the literature addressing surgical management of recurrent or persistent lymph node disease in patients with DTC. PMID:26886954
Error Estimation and Accuracy Improvements in Nodal Transport Methods
International Nuclear Information System (INIS)
Zamonsky, O.M.
2000-01-01
The accuracy of the solutions produced by the Discrete Ordinates neutron transport nodal methods is analyzed.The obtained new numerical methodologies increase the accuracy of the analyzed scheems and give a POSTERIORI error estimators. The accuracy improvement is obtained with new equations that make the numerical procedure free of truncation errors and proposing spatial reconstructions of the angular fluxes that are more accurate than those used until present. An a POSTERIORI error estimator is rigurously obtained for one dimensional systems that, in certain type of problems, allows to quantify the accuracy of the solutions. From comparisons with the one dimensional results, an a POSTERIORI error estimator is also obtained for multidimensional systems. LOCAL indicators, which quantify the spatial distribution of the errors, are obtained by the decomposition of the menctioned estimators. This makes the proposed methodology suitable to perform adaptive calculations. Some numerical examples are presented to validate the theoretical developements and to illustrate the ranges where the proposed approximations are valid
INTERMITTENT ANTIARYTHMIC THERAPY OF ARIOVENTICULAR NODAL REENTRY TACHYCARDIA IN CHILDREN
Directory of Open Access Journals (Sweden)
Boris Djindjic
2008-04-01
Full Text Available Until recent advances in pharmacology and clinical cardiology regarding farmacodynamics of antiarrhythmic drugs and their efficiency in patients with refractory paroxysmal supraventricular tachycardia, chronic prophylactic therapy was the only treatment option for patients refusing catheter ablation. Another treatment option, also known by eponym “pill in pocket” have been shown to be equally useful and efficacious.The aim of our study was prospective examination of children with refractory atrioventricular nodal reentry tachycardia (AVNRT who were withdrawn from chronic antiarrhythmic prophylactic therapy and started with intermittent oral beta blocker treatment (propranolol at dosage 1 mg/kg - max 80 mg.Twelve children (8 boys and 4 girls with AVNRT were included in the study. Four children did not have arrhythmia during first six months after withdrawal and 7 were successfully treated without complication.Intermittent antiarrhythmic therapy in children with AVNRT could be very efficacious and useful treatment option which significantly improves their quality of life.
Nodal wear model: corrosion in carbon blast furnace hearths
Directory of Open Access Journals (Sweden)
Verdeja, L. F.
2003-06-01
Full Text Available Criterions developed for the Nodal Wear Model (NWM were applied to estimate the shape of the corrosion profiles that a blast furnace hearth may acquire during its campaign. Taking into account design of the hearth, the boundary conditions, the characteristics of the refractory materials used and the operation conditions of the blast furnace, simulation of wear profiles with central well, mushroom and elephant foot shape were accomplished. The foundations of the NWM are constructed considering that the corrosion of the refractory is a function of the temperature present at each point (node of the liquid metal-refractory interface and the corresponding physical and chemical characteristics of the corrosive fluid.
Se aplican los criterios del Modelo de Desgaste Nodal (MDN para la estimación de los perfiles de corrosión que podría ir adquiriendo el crisol de un homo alto durante su campaña. Atendiendo al propio diseño del crisol, a las condiciones límites de contorno, a las características del material refractario utilizado y a las condiciones de operación del horno, se consiguen simular perfiles de desgaste con "pozo central", con "forma de seta" ó de "pie de elefante". Los fundamentos del MDN se apoyan en la idea de considerar que la corrosión del refractario es función de la temperatura que el sistema pueda presentar en cada punto (nodo de la intercara refractario-fundido y de las correspondientes características físico-químicas del fluido corrosivo.
Conformal invariance of curvature perturbation
Gong, Jinn-Ouk; Park, Wan Il; Sasaki, Misao; Song, Yong-Seon
2011-01-01
We show that in the single component situation all perturbation variables in the comoving gauge are conformally invariant to all perturbation orders. Generally we identify a special time slicing, the uniform-conformal transformation slicing, where all perturbations are again conformally invariant to all perturbation orders. We apply this result to the delta N formalism, and show its conformal invariance.
Conformity and statistical tolerancing
Leblond, Laurent; Pillet, Maurice
2018-02-01
Statistical tolerancing was first proposed by Shewhart (Economic Control of Quality of Manufactured Product, (1931) reprinted 1980 by ASQC), in spite of this long history, its use remains moderate. One of the probable reasons for this low utilization is undoubtedly the difficulty for designers to anticipate the risks of this approach. The arithmetic tolerance (worst case) allows a simple interpretation: conformity is defined by the presence of the characteristic in an interval. Statistical tolerancing is more complex in its definition. An interval is not sufficient to define the conformance. To justify the statistical tolerancing formula used by designers, a tolerance interval should be interpreted as the interval where most of the parts produced should probably be located. This tolerance is justified by considering a conformity criterion of the parts guaranteeing low offsets on the latter characteristics. Unlike traditional arithmetic tolerancing, statistical tolerancing requires a sustained exchange of information between design and manufacture to be used safely. This paper proposes a formal definition of the conformity, which we apply successively to the quadratic and arithmetic tolerancing. We introduce a concept of concavity, which helps us to demonstrate the link between tolerancing approach and conformity. We use this concept to demonstrate the various acceptable propositions of statistical tolerancing (in the space decentring, dispersion).
Axiomatic conformal field theory
International Nuclear Information System (INIS)
Gaberdiel, M.R.; Goddard, P.
2000-01-01
A new rigourous approach to conformal field theory is presented. The basic objects are families of complex-valued amplitudes, which define a meromorphic conformal field theory (or chiral algebra) and which lead naturally to the definition of topological vector spaces, between which vertex operators act as continuous operators. In fact, in order to develop the theory, Moebius invariance rather than full conformal invariance is required but it is shown that every Moebius theory can be extended to a conformal theory by the construction of a Virasoro field. In this approach, a representation of a conformal field theory is naturally defined in terms of a family of amplitudes with appropriate analytic properties. It is shown that these amplitudes can also be derived from a suitable collection of states in the meromorphic theory. Zhu's algebra then appears naturally as the algebra of conditions which states defining highest weight representations must satisfy. The relationship of the representations of Zhu's algebra to the classification of highest weight representations is explained. (orig.)
Evolution of Conformity in Social Dilemmas.
Dong, Yali; Li, Cong; Tao, Yi; Zhang, Boyu
2015-01-01
People often deviate from their individual Nash equilibrium strategy in game experiments based on the prisoner's dilemma (PD) game and the public goods game (PGG), whereas conditional cooperation, or conformity, is supported by the data from these experiments. In a complicated environment with no obvious "dominant" strategy, conformists who choose the average strategy of the other players in their group could be able to avoid risk by guaranteeing their income will be close to the group average. In this paper, we study the repeated PD game and the repeated m-person PGG, where individuals' strategies are restricted to the set of conforming strategies. We define a conforming strategy by two parameters, initial action in the game and the influence of the other players' choices in the previous round. We are particularly interested in the tit-for-tat (TFT) strategy, which is the well-known conforming strategy in theoretical and empirical studies. In both the PD game and the PGG, TFT can prevent the invasion of non-cooperative strategy if the expected number of rounds exceeds a critical value. The stability analysis of adaptive dynamics shows that conformity in general promotes the evolution of cooperation, and that a regime of cooperation can be established in an AllD population through TFT-like strategies. These results provide insight into the emergence of cooperation in social dilemma games.
Reactivity Coefficient Calculation for AP1000 Reactor Using the NODAL3 Code
Pinem, Surian; Malem Sembiring, Tagor; Tukiran; Deswandri; Sunaryo, Geni Rina
2018-02-01
The reactivity coefficient is a very important parameter for inherent safety and stability of nuclear reactors operation. To provide the safety analysis of the reactor, the calculation of changes in reactivity caused by temperature is necessary because it is related to the reactor operation. In this paper, the temperature reactivity coefficients of fuel and moderator of the AP1000 core are calculated, as well as the moderator density and boron concentration. All of these coefficients are calculated at the hot full power condition (HFP). All neutron diffusion constant as a function of temperature, water density and boron concentration were generated by the SRAC2006 code. The core calculations for determination of the reactivity coefficient parameter are done by using NODAL3 code. The calculation results show that the fuel temperature, moderator temperature and boron reactivity coefficients are in the range between -2.613 pcm/°C to -4.657pcm/°C, -1.00518 pcm/°C to 1.00649 pcm/°C and -9.11361 pcm/ppm to -8.0751 pcm/ppm, respectively. For the water density reactivity coefficients, the positive reactivity occurs at the water temperature less than 190 °C. The calculation results show that the reactivity coefficients are accurate because the results have a very good agreement with the design value.
Algebraic conformal field theory
International Nuclear Information System (INIS)
Fuchs, J.; Nationaal Inst. voor Kernfysica en Hoge-Energiefysica
1991-11-01
Many conformal field theory features are special versions of structures which are present in arbitrary 2-dimensional quantum field theories. So it makes sense to describe 2-dimensional conformal field theories in context of algebraic theory of superselection sectors. While most of the results of the algebraic theory are rather abstract, conformal field theories offer the possibility to work out many formulae explicitly. In particular, one can construct the full algebra A-bar of global observables and the endomorphisms of A-bar which represent the superselection sectors. Some explicit results are presented for the level 1 so(N) WZW theories; the algebra A-bar is found to be the enveloping algebra of a Lie algebra L-bar which is an extension of the chiral symmetry algebra of the WZW theory. (author). 21 refs., 6 figs
Type-I and type-II topological nodal superconductors with s -wave interaction
Huang, Beibing; Yang, Xiaosen; Xu, Ning; Gong, Ming
2018-01-01
Topological nodal superconductors with protected gapless points in momentum space are generally realized based on unconventional pairings. In this work we propose a minimal model to realize these topological nodal phases with only s -wave interaction. In our model the linear and quadratic spin-orbit couplings along the two orthogonal directions introduce anisotropic effective unconventional pairings in momentum space. This model may support different nodal superconducting phases characterized by either an integer winding number in BDI class or a Z2 index in D class at the particle-hole invariant axes. In the vicinity of the nodal points the effective Hamiltonian can be described by either type-I or type-II Dirac equations, and the Lifshitz transition from type-I nodal phases to type-II nodal phases can be driven by external in-plane magnetic fields. We show that these nodal phases are robust against weak impurities, which only slightly renormalizes the momentum-independent parameters in the impurity-averaged Hamiltonian, thus these phases are possible to be realized in experiments with real semi-Dirac materials. The smoking-gun evidences to verify these phases based on scanning tunneling spectroscopy method are also briefly discussed.
A simple nodal force distribution method in refined finite element meshes
International Nuclear Information System (INIS)
Park, Jai Hak; Shin, Kyu In; Lee, Dong Won; Cho, Seungyon
2017-01-01
In finite element analyses, mesh refinement is frequently performed to obtain accurate stress or strain values or to accurately define the geometry. After mesh refinement, equivalent nodal forces should be calculated at the nodes in the refined mesh. If field variables and material properties are available at the integration points in each element, then the accurate equivalent nodal forces can be calculated using an adequate numerical integration. However, in certain circumstances, equivalent nodal forces cannot be calculated because field variable data are not available. In this study, a very simple nodal force distribution method was proposed. Nodal forces of the original finite element mesh are distributed to the nodes of refined meshes to satisfy the equilibrium conditions. The effect of element size should also be considered in determining the magnitude of the distributing nodal forces. A program was developed based on the proposed method, and several example problems were solved to verify the accuracy and effectiveness of the proposed method. From the results, accurate stress field can be recognized to be obtained from refined meshes using the proposed nodal force distribution method. In example problems, the difference between the obtained maximum stress and target stress value was less than 6 % in models with 8-node hexahedral elements and less than 1 % in models with 20-node hexahedral elements or 10-node tetrahedral elements.
Prognostic value of nodal ratios in node-positive breast cancer.
Woodward, Wendy A; Vinh-Hung, Vincent; Ueno, Naoto T; Cheng, Yee Chung; Royce, Melanie; Tai, Patricia; Vlastos, Georges; Wallace, Anne Marie; Hortobagyi, Gabriel N; Nieto, Yago
2006-06-20
The American Joint Committee on Cancer staging system for breast cancer was recently updated to reflect the impact of increasing the absolute number of positive lymph nodes on prognosis. However, numerous studies suggest that nodal ratios (absolute number of involved nodes-number of nodes resected) may have greater prognostic value than absolute numbers of involved nodes. Here we examine the data supporting the use of nodal ratios in breast cancer prognosis and consider the potential advantages and disadvantages of including nodal ratios in breast cancer staging. A systematic review of the literature was conducted using the following search engines: http://www.google.com; Thomson's ISI Web of Science; PubMed. In multiple reports from both prospective and retrospectively collected data sets, nodal ratios have been shown to be significant predictors of outcome, including locoregional recurrence and overall survival. These studies span all stages of breast cancer and include various treatments as well as various statistical approaches. There is considerable data supporting the use of nodal ratios in breast cancer prognosis. A thorough and methodological evaluation of the potential prognostic importance of nodal ratios in large multicenter data sets is merited and is currently being undertaken by the International Nodal Ratio Working Group.
International Nuclear Information System (INIS)
Goel, L.; Wu, Qiuwei; Wang, Peng
2008-01-01
With the development of restructured power systems, the conventional 'same for all customers' electricity price is getting replaced by nodal prices. Electricity prices will fluctuate with time and nodes. In restructured power systems, electricity demands will interact mutually with prices. Customers may shift some of their electricity consumption from time slots of high electricity prices to those of low electricity prices if there is a commensurate price incentive. The demand side load shift will influence nodal prices in return. This interaction between demand and price can be depicted using demand-price elasticity. This paper proposes an evaluation technique incorporating the impact of the demand-price elasticity on nodal prices, system reliability and nodal reliabilities of restructured power systems. In this technique, demand and price correlations are represented using the demand-price elasticity matrix which consists of self/cross-elasticity coefficients. Nodal prices are determined using optimal power flow (OPF). The OPF and customer damage functions (CDFs) are combined in the proposed reliability evaluation technique to assess the reliability enhancement of restructured power systems considering demand-price elasticity. The IEEE reliability test system (RTS) is simulated to illustrate the developed techniques. The simulation results show that demand-price elasticity reduces the nodal price volatility and improves both the system reliability and nodal reliabilities of restructured power systems. Demand-price elasticity can therefore be utilized as a possible efficient tool to reduce price volatility and to enhance the reliability of restructured power systems. (author)
Killing tensors and conformal Killing tensors from conformal Killing vectors
International Nuclear Information System (INIS)
Rani, Raffaele; Edgar, S Brian; Barnes, Alan
2003-01-01
Koutras has proposed some methods to construct reducible proper conformal Killing tensors and Killing tensors (which are, in general, irreducible) when a pair of orthogonal conformal Killing vectors exist in a given space. We give the completely general result demonstrating that this severe restriction of orthogonality is unnecessary. In addition, we correct and extend some results concerning Killing tensors constructed from a single conformal Killing vector. A number of examples demonstrate that it is possible to construct a much larger class of reducible proper conformal Killing tensors and Killing tensors than permitted by the Koutras algorithms. In particular, by showing that all conformal Killing tensors are reducible in conformally flat spaces, we have a method of constructing all conformal Killing tensors, and hence all the Killing tensors (which will in general be irreducible) of conformally flat spaces using their conformal Killing vectors
Charged conformal Killing spinors
Energy Technology Data Exchange (ETDEWEB)
Lischewski, Andree, E-mail: lischews@mathematik.hu-berlin.de [Humboldt-Universität zu Berlin, Institut für Mathematik, Rudower Chaussee 25, Room 1.310, D12489 Berlin (Germany)
2015-01-15
We study the twistor equation on pseudo-Riemannian Spin{sup c}-manifolds whose solutions we call charged conformal Killing spinors (CCKSs). We derive several integrability conditions for the existence of CCKS and study their relations to spinor bilinears. A construction principle for Lorentzian manifolds admitting CCKS with nontrivial charge starting from CR-geometry is presented. We obtain a partial classification result in the Lorentzian case under the additional assumption that the associated Dirac current is normal conformal and complete the classification of manifolds admitting CCKS in all dimensions and signatures ≤5 which has recently been initiated in the study of supersymmetric field theories on curved space.
Ketov, Sergei V
1995-01-01
Conformal field theory is an elegant and powerful theory in the field of high energy physics and statistics. In fact, it can be said to be one of the greatest achievements in the development of this field. Presented in two dimensions, this book is designed for students who already have a basic knowledge of quantum mechanics, field theory and general relativity. The main idea used throughout the book is that conformal symmetry causes both classical and quantum integrability. Instead of concentrating on the numerous applications of the theory, the author puts forward a discussion of the general
Cerberus-Nodal-Lefty-Pitx signaling cascade controls left-right asymmetry in amphioxus.
Li, Guang; Liu, Xian; Xing, Chaofan; Zhang, Huayang; Shimeld, Sebastian M; Wang, Yiquan
2017-04-04
Many bilaterally symmetrical animals develop genetically programmed left-right asymmetries. In vertebrates, this process is under the control of Nodal signaling, which is restricted to the left side by Nodal antagonists Cerberus and Lefty. Amphioxus, the earliest diverging chordate lineage, has profound left-right asymmetry as a larva. We show that Cerberus , Nodal , Lefty , and their target transcription factor Pitx are sequentially activated in amphioxus embryos. We then address their function by transcription activator-like effector nucleases (TALEN)-based knockout and heat-shock promoter (HSP)-driven overexpression. Knockout of Cerberus leads to ectopic right-sided expression of Nodal , Lefty , and Pitx , whereas overexpression of Cerberus represses their left-sided expression. Overexpression of Nodal in turn represses Cerberus and activates Lefty and Pitx ectopically on the right side. We also show Lefty represses Nodal , whereas Pitx activates Nodal These data combine in a model in which Cerberus determines whether the left-sided gene expression cassette is activated or repressed. These regulatory steps are essential for normal left-right asymmetry to develop, as when they are disrupted embryos may instead form two phenotypic left sides or two phenotypic right sides. Our study shows the regulatory cassette controlling left-right asymmetry was in place in the ancestor of amphioxus and vertebrates. This includes the Nodal inhibitors Cerberus and Lefty, both of which operate in feedback loops with Nodal and combine to establish asymmetric Pitx expression. Cerberus and Lefty are missing from most invertebrate lineages, marking this mechanism as an innovation in the lineage leading to modern chordates.
Regional nodal relapse in surgically staged Merkel cell carcinoma
Energy Technology Data Exchange (ETDEWEB)
Hoeller, Ulrike; Mueller, Thomas; Schubert, Tina; Budach, Volker; Ghadjar, Pirus [Charite Universitaetsmedizin Berlin, Department of Radiation Oncology, Berlin (Germany); Brenner, Winfried [Charite Universitaetsmedizin Berlin, Department of Nuclear Medicine, Berlin (Germany); Kiecker, Felix [Charite Universitaetsmedizin Berlin, Department of Dermatology, Berlin (Germany); Schicke, Bernd [Tumor Center Berlin, Berlin (Germany); Haase, Oliver [Charite Universitaetsmedizin Berlin, Department of Surgery, Berlin (Germany)
2014-10-08
The nodal relapse pattern of surgically staged Merkel cell carcinoma (MCC) with/without elective nodal radiotherapy (RT) was studied in a single institution. A total of 51 patients with MCC, 33 % UICC stage I, 14 % II, 53 % III (4 lymph node metastases of unknown primary) were eligible. All patients had surgical staging: 23 patients sentinel node biopsy (SNB), 22 patients SNB followed by lymphadenectomy (LAD) and 6 patients LAD. In all, 94 % of the primary tumors (PT) were completely resected; 57 % of patients received RT, 51 % of known PT sites, 33 % (8/24 patients) regional RT to snN0 nodes and 68 % (17/27 patients) to pN+ nodes, mean reference dose 51.5 and 50 Gy, respectively. Mean follow-up was 6 years (range 2-14 years). A total of 22 % (11/51) patients developed regional relapses (RR); the 5-year RR rate was 27 %. In snN0 sites (stage I/II), relapse occurred in 5 of 14 nonirradiated vs. none of 8 irradiated sites (p = 0.054), resulting in a 5-year RR rate of 33 % versus 0 % (p = 0.16). The crude RR rate was lower in stage I (12 %, 2/17 patients) than for stage II (43 %, 3/7 patients). In stage III (pN+), RR appeared to be less frequent in irradiated sites (18 %, 3/14 patients) compared with nonirradiated sites (33 %, 3/10 patients, p = 0.45) with 5-year RR rates of 23 % vs. 34 %, respectively. Our data suggest that adjuvant nodal RT plays a major role even if the sentinel nodes were negative. Adjuvant RT of the lymph nodes in patients with stage IIa tumors and RT after LAD in stage III tumors is proposed and should be evaluated prospectively. (orig.) [German] Untersucht wurde das regionaere Rezidivmuster des Merkelzell-Karzinoms (MCC) nach chirurgischem Staging und stadienadaptierter Therapie. Eingeschlossen wurden 51 Patienten mit lokalisiertem MCC: 33 % hatten UICC-Stadium-I-, 14 % -II-, 53 % -III-Tumoren (davon 4 Lymphknotenmetastasen eines unbekannten Primaertumors). Alle Patienten erhielten ein chirurgisches Staging: 23 Waechterlymphknotenbiopsien (SNB
[Method for optimal sensor placement in water distribution systems with nodal demand uncertainties].
Liu, Shu-Ming; Wu, Xue; Ouyang, Le-Yan
2013-08-01
The notion of identification fitness was proposed for optimizing sensor placement in water distribution systems. Nondominated Sorting Genetic Algorithm II was used to find the Pareto front between minimum overlap of possible detection times of two events and the best probability of detection, taking nodal demand uncertainties into account. This methodology was applied to an example network. The solutions show that the probability of detection and the number of possible locations are not remarkably affected by nodal demand uncertainties, but the sources identification accuracy declines with nodal demand uncertainties.
The application of modern nodal methods to PWR reactor physics analysis
International Nuclear Information System (INIS)
Knight, M.P.
1988-06-01
The objective of this research is to develop efficient computational procedures for PWR reactor calculations, based on modern nodal methods. The analytic nodal method, which is characterised by the use of exact exponential expansions in transverse-integrated equations, is implemented within an existing finite-difference code. This shows considerable accuracy and efficiency on standard benchmark problems, very much in line with existing experience with nodal methods., Assembly powers can be calculated to within 2.0% with just one mesh per assembly. (author)
Electrostatic and magnetostatic numerical analysis using nodal and edge finite element
International Nuclear Information System (INIS)
Nascimento, Francisco Rogerio T. do; Jospin, Reinaldo Jacques
2013-01-01
The main objective of this work is to simulate electromagnetic fields using the Finite Element Method. Even in the easiest case of electrostatic and magnetostatic numerical simulation some problems appear when the nodal finite element is used. It is difficult to model vector fields with scalar functions mainly in non-homogeneous materials. With the aim to solve these problems two types of techniques are tried: the nodal elements and the edge finite element that ensure the continuity of tangential components. Some simple electromagnetic numerical analysis problems like waveguides, with homogeneous and non-homogeneous materials, are performed using first the nodal finite elements and then the edge finite elements. (author)
Conformational properties of pyrethroids
Mullaley, Anne; Taylor, Robin
1994-04-01
X-ray database searches and theoretical potential-energy calculations indicate that the acid moieties of pyrethroid cyclopropanecarboxylate esters adopt a well-defined, relatively inflexible conformation. In contrast, the alcohol moieties can exist in many low-energy geometries. One of the least conformationally flexible pyrethroid alcohols is 4-phenylindan-2-ol. The approximate overall conformation adopted at the biological binding site by insecticidal esters of this alcohol can be deduced with reasonable confidence by molecular modelling. Graphics superposition of a variety of pyrethroid acids suggests the existence of a large but rather narrow pocket at the binding site, in which substituents at the 3-position of the cyclopropane ring can be accommodated. This pocket is asymmetric with respect to the plane of the cyclopropane ring, extending further on the side remote from the ester group. The effects of α-substitution on the insecticidal activity of pyrethroid esters may be due to the influence of substituents on the preferred conformations of the molecules. This hypothesis rationalises the paradoxical dependence on absolute stereochemistry of the activities of various allylbenzyl and cinnamyl alcohol derivatives.
Animal culture: chimpanzee conformity?
van Schaik, Carel P
2012-05-22
Culture-like phenomena in wild animals have received much attention, but how good is the evidence and how similar are they to human culture? New data on chimpanzees suggest their culture may even have an element of conformity. Copyright © 2012 Elsevier Ltd. All rights reserved.
International Nuclear Information System (INIS)
Wade, A.
2000-07-01
The Courant bracket defined originally on the sections of a vector bundle TM +T*M → M is extended to the direct sum of the 1-jet vector bundle and its dual. The extended bracket allows one to interpret many structures encountered in differential geometry, in terms of Dirac structures. We give a new approach to conformal Jacobi structures. (author)
Mapping patterns of nodal metastases in seminoma: Rethinking radiotherapy fields
International Nuclear Information System (INIS)
Paly, Jonathan J.; Efstathiou, Jason A.; Hedgire, Sandeep S.; Chung, Peter W.M.; O’Malley, Martin; Shah, Anand; Bekelman, Justin E.; Harisinghani, Mukesh; Shipley, William U.; Zietman, Anthony L.; Beard, Clair
2013-01-01
Background and purpose: To analyze the location of metastatic lymph nodes in seminoma patients relative to vascular and bony anatomy and conventional radiation fields. Materials and methods: Cross-sectional scans of 90 seminoma patients with infradiaphragmatic adenopathy were analyzed. The position of each node respective to vascular anatomy was transferred to a standardized template. Conventional radiation fields were overlaid on the template and locations of metastatic nodes were assessed. Results: One hundred and forty-five nodes were radiographically positive. Eighty-four percent, 9%, and 7% of nodes were located in the para-aortic, common iliac, and pelvic regions, respectively. Ninety-nine percent of nodes were within a 2.5 cm lateral and 2.1 cm anterior expansion of the aorta inferior to T12/L1. No radiographically positive nodes were identified within the renal hilum or superior to L1 in left-sided seminomas. For right-sided seminomas, no radiographically positive nodes were superior to L2. Three percent of all radiographically positive nodes would have been located outside of conventional and modified fields. Conclusions: Infradiaphragmatic nodal metastases from a contemporary cohort of seminoma patients localized to a smaller area than is targeted by conventional radiation fields. Modified treatment fields based on vascular, rather than bony, anatomy are smaller and may allow for a significant decrease in normal tissue irradiation and toxicity
Topological Nodal Cooper Pairing in Doped Weyl Metals
Li, Yi; Haldane, F. D. M.
2018-02-01
We generalize the concept of Berry connection of the single-electron band structure to that of a two-particle Cooper pairing state between two Fermi surfaces with opposite Chern numbers. Because of underlying Fermi surface topology, the pairing Berry phase acquires nontrivial monopole structure. Consequently, pairing gap functions have topologically protected nodal structure as vortices in the momentum space with the total vorticity solely determined by the pair monopole charge qp. The nodes of gap function behave as the Weyl-Majorana points of the Bogoliubov-de Gennes pairing Hamiltonian. Their relation with the connection patterns of the surface modes from the Weyl band structure and the Majorana surface modes inside the pairing gap is also discussed. Under the approximation of spherical Fermi surfaces, the pairing symmetry are represented by monopole harmonic functions. The lowest possible pairing channel carries angular momentum number j =|qp|, and the corresponding gap functions are holomorphic or antiholomorphic functions on Fermi surfaces. After projected on the Fermi surfaces with nontrivial topology, all the partial-wave channels of pairing interactions acquire the monopole charge qp independent of concrete pairing mechanism.
Energy Technology Data Exchange (ETDEWEB)
Hernandez M, N. [CFE, Carretera Cardel-Nautla Km. 43.5, 91680 Veracruz (Mexico); Alonso V, G.; Valle G, E. del [IPN-ESFM, 07738 Mexico D.F. (Mexico)]. e-mail: nhmiranda@mexico.com
2003-07-01
In 1979, Hennart and collaborators applied several schemes of classic finite element in the numerical solution of the diffusion equations in X Y geometry and stationary state. Almost two decades then, in 1996, himself and other collaborators carried out a similar work but using nodal schemes type finite element. Continuing in this last direction, in this work a group it is described a set of several Hybrid Nodal schemes denominated (NH) as well as their application to solve the diffusion equations in multigroup in stationary state and X Y geometry. The term hybrid nodal it means that such schemes interpolate not only Legendre moments of face and of cell but also the values of the scalar flow of neutrons in the four corners of each cell or element of the spatial discretization of the domain of interest. All the schemes here considered are polynomials like they were it their predecessors. Particularly, its have developed and applied eight different hybrid nodal schemes that its are very nearby related with those developed by Hennart and collaborators in the past. It is treated of schemes in those that nevertheless that decreases the number of interpolation parameters it is conserved the accurate in relation to the bi-quadratic and bi-cubic schemes. Of these eight, three were described and applied in a previous work. It is the bi-lineal classic scheme as well as the hybrid nodal schemes, bi-quadratic and bi-cubic for that here only are described the other 5 hybrid nodal schemes although they are provided numerical results for several test problems with all them. (Author)
Lee, R J; Gibbs, J F; Proulx, G M; Kollmorgen, D R; Jia, C; Kraybill, W G
2000-01-15
To analyze patterns of failure in malignant melanoma patients with lymph node involvement who underwent complete lymph node dissection (LND) of the nodal basin. To determine prognostic factors predictive of local recurrence in the lymph node basin in order to select patients who may benefit from adjuvant radiotherapy. A retrospective analysis of 338 patients undergoing complete LND for melanoma between 1970 and 1996 who had pathologically involved lymph nodes was performed. Mean follow-up from the time of LND was 54 months (range: 12-306 months). Lymph node basins dissected included the neck (56 patients), axilla (160 patients), and groin (122 patients). Two hundred fifty-three patients (75%) underwent therapeutic LND for clinically involved nodes, while 85 patients (25%) had elective dissections. Forty-four percent of patients received adjuvant systemic therapy. No patients received adjuvant radiotherapy to the lymph node basin. Overall and disease-specific survival for all patients at 10 years was 30% and 36%, respectively. Overall nodal basin recurrence was 30% at 10 years. Mean time to nodal basin recurrence was 12 months (range: 2-78 months). Site of nodal involvement was prognostic with 43%, 28%, and 23% nodal basin recurrence at 10 years with cervical, axillary, and inguinal involvement, respectively (p = 0.008). Extracapsular extension (ECE) led to a 10-year nodal basin failure rate of 63% vs. 23% without ECE (p basin at 10 years, compared to 16% for patients found to have involved nodes after elective dissection (p = 0.002). Lymph nodes larger than 6 cm led to a failure rate of 80% compared to 42% for nodes 3-6 cm and 24% for nodes less than 3 cm (p basin failure with 25%, 46%, and 63% failure rates at 10 years for 1-3, 4-10, and > 10 nodes involved (p = 0.0001). There was no significant difference in nodal basin control in patients with synchronous or metachronous lymph node metastases, nor in patients receiving or not receiving adjuvant systemic therapy
Pang, Changlee S; Grier, David D; Beaty, Michael W
2011-03-01
Sinus histiocytosis with massive lymphadenopathy (SHML), also known as Rosai-Dorfman disease, is a rare self-limiting disorder of histiocytes with unknown etiology. Sinus histiocytosis with massive lymphadenopathy is most common in children and young adults and is characterized by painless lymphadenopathy. Histologically there is a proliferation of sinus histiocytes with lymphophagocytosis or emperipolesis. On rare occasions, SHML has been associated with lymphoma, usually involving different anatomic sites and developing at different times. We report a case of concomitant SHML and nodal marginal zone lymphoma involving the same lymph node without involvement of other nodal or extranodal sites. The presence of concomitant SHML within the lymph node involved by nodal marginal zone lymphoma may represent the responsiveness of SHML histiocytes to B-cell-derived cytokines in lymphoproliferative disorders. To our knowledge, this is the first description of concomitant occurrence of SHML and nodal marginal zone lymphoma.
MicroRNA expression in nodal and extranodal Diffuse Large B-cell Lymphoma
DEFF Research Database (Denmark)
Mandrup, Charlotte; Petersen, Anders; Højfeldt, Anne Dirks
MicroRNA expression in nodal and extranodal Diffuse Large B-cell Lymphoma C. Mandrup1, A. Petersen1, A. D. Hoejfeldt1, H. F. Thomsen1, J. Madsen1, J. Dahlgaard1, P. Johansen2, A. Bukh1, K. Dybkaer1 and H. E Johnsen1. 1Department of Hematology, 2Pathological Institute, Aalborg Hospital, Aarhus...... University Hospital, Aalborg, Denmark Introduction: The aim of this project was to analyse microRNA (miRNA) expression in nodal and extranodal diffuse large B-cell lymphoma (DLBCL). Manifestation at diagnosis may be nodal and/or extranodal. At present, there are no known determinants for none...... of the manifestations, and no way to predict the potential progression from nodal to extranodal disease. miRNA are small regulatory RNA molecules with core function to repress/cleave sequence complementary mRNA targets. Abnormalities in miRNA genetics and expression are known to affect initiation and development...
Paganin, David M.; Beltran, Mario A.; Petersen, Timothy C.
2018-03-01
We obtain exact polynomial solutions for two-dimensional coherent complex scalar fields propagating through arbitrary aberrated shift-invariant linear imaging systems. These are used to model nodal-line dynamics of coherent fields output by such systems.
International Nuclear Information System (INIS)
Menezes, Welton Alves de
2009-01-01
In this dissertation the spectral nodal method SD-SGF-CN, cf. spectral diamond - spectral Green's function - constant nodal, is used to determine the angular fluxes averaged along the edges of the homogenized nodes in heterogeneous domains. Using these results, we developed an algorithm for the reconstruction of the node-edge average angular fluxes within the nodes of the spatial grid set up on the domain, since more localized numerical solutions are not generated by coarse-mesh numerical methods. Numerical results are presented to illustrate the accuracy of the algorithm we offer. (author)
Thach, Trung Thanh; Shin, Donghyuk; Han, Seungsu; Lee, Sangho
2016-04-01
The conformational flexibility of linkage-specific polyubiquitin chains enables ubiquitylated proteins and their receptors to be involved in a variety of cellular processes. Linear or Met1-linked polyubiquitin chains, associated with nondegradational cellular signalling pathways, have been known to adopt multiple conformations from compact to extended conformations. However, the extent of such conformational flexibility remains open. Here, the crystal structure of linear Ub2 was determined in a more compact conformation than that of the previously known structure (PDB entry 3axc). The two structures differ significantly from each other, as shown by an r.m.s.d. between C(α) atoms of 3.1 Å. The compactness of the linear Ub2 structure in comparison with PDB entry 3axc is supported by smaller values of the radius of gyration (Rg; 18 versus 18.9 Å) and the maximum interatomic distance (Dmax; 55.5 versus 57.8 Å). Extra intramolecular hydrogen bonds formed among polar residues between the distal and proximal ubiquitin moieties seem to contribute to stabilization of the compact conformation of linear Ub2. An ensemble of three semi-extended and extended conformations of linear Ub2 was also observed by small-angle X-ray scattering (SAXS) analysis in solution. In addition, the conformational heterogeneity in linear polyubiquitin chains is clearly manifested by SAXS analyses of linear Ub3 and Ub4: at least three distinct solution conformations are observed in each chain, with the linear Ub3 conformations being compact. The results expand the extent of conformational space of linear polyubiquitin chains and suggest that changes in the conformational ensemble may be pivotal in mediating multiple signalling pathways.
Familial occurrence of atrioventricular nodal reentrant tachycardia in a mother and her son.
Namgung, June; Kwak, Jae-Jin; Choe, Hyunmin; Kwon, Sung Uk; Doh, Joon Hyung; Lee, Sung Yun; Lee, Won Ro
2012-10-01
Atrioventricular nodal reentrant tachycardia (AVNRT), caused by a reentry circuit involving fast and slow atrioventricular nodal pathways, is one of the most common types of paroxysmal supraventricular tachycardias. While familial Wolff-Parkinson-White syndrome has been well recognized, familial AVNRT has been rarely reported. We report a familial occurrence of AVNRT in a mother and her son, who were symptomatic and successfully treated with radiofrequency catheter ablation of slow pathway.
A study of the literature on nodal methods in reactor physics calculations
International Nuclear Information System (INIS)
Van de Wetering, T.F.H.
1993-01-01
During the last few decades several calculation methods have been developed for the three-dimensional analysis of a reactor core. A literature survey was carried out to gain insights in the starting points and method of operation of the advanced nodal methods. These methods are applied in reactor core analyses of large nuclear power reactors, because of their high computing speed. The so-called Nodal-Expansion method is described in detail
Transportation Conformity Training and Presentations
EPA's OTAQ has provided multiple conformity training sessions in the past to assist state and local governments in implementing conformity requirements. As training information is prepared for other venues, it will be posted on this page.
Cilia are required for asymmetric nodal induction in the sea urchin embryo.
Tisler, Matthias; Wetzel, Franziska; Mantino, Sabrina; Kremnyov, Stanislav; Thumberger, Thomas; Schweickert, Axel; Blum, Martin; Vick, Philipp
2016-08-23
Left-right (LR) organ asymmetries are a common feature of metazoan animals. In many cases, laterality is established by a conserved asymmetric Nodal signaling cascade during embryogenesis. In most vertebrates, asymmetric nodal induction results from a cilia-driven leftward fluid flow at the left-right organizer (LRO), a ciliated epithelium present during gastrula/neurula stages. Conservation of LRO and flow beyond the vertebrates has not been reported yet. Here we study sea urchin embryos, which use nodal to establish larval LR asymmetry as well. Cilia were found in the archenteron of embryos undergoing gastrulation. Expression of foxj1 and dnah9 suggested that archenteron cilia were motile. Cilia were polarized to the posterior pole of cells, a prerequisite of directed flow. High-speed videography revealed rotating cilia in the archenteron slightly before asymmetric nodal induction. Removal of cilia through brief high salt treatments resulted in aberrant patterns of nodal expression. Our data demonstrate that cilia - like in vertebrates - are required for asymmetric nodal induction in sea urchin embryos. Based on these results we argue that the anterior archenteron represents a bona fide LRO and propose that cilia-based symmetry breakage is a synapomorphy of the deuterostomes.
Nodal Topological Phases in s-wave Superfluid of Ultracold Fermionic Gases
Huang, Bei-Bing; Yang, Xiao-Sen
2018-02-01
The gapless Weyl superfluid has been widely studied in the three-dimensional ultracold fermionic superfluid. In contrast to Weyl superfluid, there exists another kind of gapless superfluid with topologically protected nodal lines, which can be regarded as the superfluid counterpart of nodal line semimetal in the condensed matter physics, just as Weyl superfluid with Weyl semimetal. In this paper we study the ground states of the cold fermionic gases in cubic optical lattices with one-dimensional spin-orbit coupling and transverse Zeeman field and map out the topological phase diagram of the system. We demonstrate that in addition to a fully gapped topologically trivial phase, some different nodal line superfluid phases appear when the Zeeman field is adjusted. The presence of topologically stable nodal lines implies the dispersionless zero-energy flat band in a finite region of the surface Brillouin zone. Experimentally these nodal line superfluid states can be detected via the momentum-resolved radio-frequency spectroscopy. The nodal line topological superfluid provide fertile grounds for exploring exotic quantum matters in the context of ultracold atoms. Supported by National Natural Science Foundation of China under Grant Nos. 11547047 and 11504143
A quasi-static polynomial nodal method for nuclear reactor analysis
International Nuclear Information System (INIS)
Gehin, J.C.
1992-09-01
Modern nodal methods are currently available which can accurately and efficiently solve the static and transient neutron diffusion equations. Most of the methods, however, are limited to two energy groups for practical application. The objective of this research is the development of a static and transient, multidimensional nodal method which allows more than two energy groups and uses a non-linear iterative method for efficient solution of the nodal equations. For both the static and transient methods, finite-difference equations which are corrected by the use of discontinuity factors are derived. The discontinuity factors are computed from a polynomial nodal method using a non-linear iteration technique. The polynomial nodal method is based upon a quartic approximation and utilizes a quadratic transverse-leakage approximation. The solution of the time-dependent equations is performed by the use of a quasi-static method in which the node-averaged fluxes are factored into shape and amplitude functions. The application of the quasi-static polynomial method to several benchmark problems demonstrates that the accuracy is consistent with that of other nodal methods. The use of the quasi-static method is shown to substantially reduce the computation time over the traditional fully-implicit time-integration method. Problems involving thermal-hydraulic feedback are accurately, and efficiently, solved by performing several reactivity/thermal-hydraulic updates per shape calculation
A quasi-static polynomial nodal method for nuclear reactor analysis
Energy Technology Data Exchange (ETDEWEB)
Gehin, Jess C. [Massachusetts Inst. of Tech., Cambridge, MA (United States)
1992-09-01
Modern nodal methods are currently available which can accurately and efficiently solve the static and transient neutron diffusion equations. Most of the methods, however, are limited to two energy groups for practical application. The objective of this research is the development of a static and transient, multidimensional nodal method which allows more than two energy groups and uses a non-linear iterative method for efficient solution of the nodal equations. For both the static and transient methods, finite-difference equations which are corrected by the use of discontinuity factors are derived. The discontinuity factors are computed from a polynomial nodal method using a non-linear iteration technique. The polynomial nodal method is based upon a quartic approximation and utilizes a quadratic transverse-leakage approximation. The solution of the time-dependent equations is performed by the use of a quasi-static method in which the node-averaged fluxes are factored into shape and amplitude functions. The application of the quasi-static polynomial method to several benchmark problems demonstrates that the accuracy is consistent with that of other nodal methods. The use of the quasi-static method is shown to substantially reduce the computation time over the traditional fully-implicit time-integration method. Problems involving thermal-hydraulic feedback are accurately, and efficiently, solved by performing several reactivity/thermal-hydraulic updates per shape calculation.
Shapourian, Hassan; Wang, Yuxuan; Ryu, Shinsei
2018-03-01
We study the intrinsic fully gapped odd-parity superconducting order in doped nodal-loop materials with a torus-shaped Fermi surface. We show that the mirror symmetry, which protects the nodal loop in the normal state, also protects the superconducting state as a topological crystalline superconductor. As a result, the surfaces preserving the mirror symmetry host gapless Majorana cones. Moreover, for a Weyl-loop system (twofold degenerate at the nodal loop), the surfaces that break the mirror symmetry (those parallel to the bulk nodal loop) contribute a Chern (winding) number to the quasi-two-dimensional system in a slab geometry, which leads to a quantized thermal Hall effect and a single Majorana zero mode bound at a vortex line penetrating the system. This Chern number can be viewed as a higher-order topological invariant, which supports hinge modes in a cubic sample when mirror symmetry is broken. For a Dirac-loop system (fourfold degenerate at the nodal loop), the fully gapped odd-parity state can be either time-reversal symmetry-breaking or symmetric, similar to the A and B phases of 3He. In a slab geometry, the A phase has a Chern number two, while the B phase carries a nontrivial Z2 invariant. We discuss the experimental relevance of our results to nodal-loop materials such as CaAgAs.
Conformal boundaries of warped products
DEFF Research Database (Denmark)
Kokkendorff, Simon Lyngby
2006-01-01
In this note we prove a result on how to determine the conformal boundary of a type of warped product of two length spaces in terms of the individual conformal boundaries. In the situation, that we treat, the warping and conformal distortion functions are functions of distance to a base point....... The result is applied to produce examples of CAT(0)-spaces, where the conformal and ideal boundaries differ in interesting ways....
Conformal radiotherapy: a glossary
International Nuclear Information System (INIS)
Dubray, B.; Giraud, P.; Beaudre, A.
1999-01-01
Most of the concepts and terms related to conformal radiotherapy were produced by English-speaking authors and eventually validated by international groups of experts, whose working language was also English. Therefore, a significant part of this literature is poorly accessible to the French-speaking radiation oncology community. The present paper gathers the 'official' definitions already published in French, along with propositions for the remaining terms which should be submitted to a more formal and representative validation process. (author)
Conformal scalar field wormholes
Halliwell, Jonathan J.; Laflamme, Raymond
1989-01-01
The Euclidian Einstein equations with a cosmological constant and a conformally coupled scalar field are solved, taking the metric to be of the Robertson-Walker type. In the case Lambda = 0, solutions are found which represent a wormhole connecting two asymptotically flat Euclidian regions. In the case Lambda greater than 0, the solutions represent tunneling from a small Tolman-like universe to a large Robertson-Walker universe.
TGF-β promotes glioma cell growth via activating Nodal expression through Smad and ERK1/2 pathways
Energy Technology Data Exchange (ETDEWEB)
Sun, Jing [Department of Neurology, The Second Affiliated Hospital of Wenzhou Medical University, Wenzhou 325000, Zhejiang (China); Liu, Su-zhi [Department of Neurology, The Affiliated Taizhou Hospital, Wenzhou Medical University, Taizhou 317000, Zhejiang (China); Lin, Yan; Cao, Xiao-pan [Department of Neurology, The Second Affiliated Hospital of Wenzhou Medical University, Wenzhou 325000, Zhejiang (China); Liu, Jia-ming, E-mail: wzljm@126.com [School of Environmental Science and Public Health, Wenzhou Medical University, Wenzhou 325035, Zhejiang (China)
2014-01-17
Highlights: •TGF-β promoted Nodal expression in glioma cells. •TGF-β promoted Nodal expression via activating Smad and ERK1/2 pathways. •TGF-β promotes glioma cell growth via activating Nodal expression. -- Abstract: While there were certain studies focusing on the mechanism of TGF-β promoting the growth of glioma cells, the present work revealed another novel mechanism that TGF-β may promote glioma cell growth via enhancing Nodal expression. Our results showed that Nodal expression was significantly upregulated in glioma cells when TGF-β was added, whereas the TGF-β-induced Nodal expression was evidently inhibited by transfection Smad2 or Smad3 siRNAs, and the suppression was especially significant when the Smad3 was downregulated. Another, the attenuation of TGF-β-induced Nodal expression was observed with blockade of the ERK1/2 pathway also. Further detection of the proliferation, apoptosis, and invasion of glioma cells indicated that Nodal overexpression promoted the proliferation and invasion of tumor cells and inhibited their apoptosis, resembling the effect of TGF-β addition. Downregulation of Nodal expression via transfection Nodal-specific siRNA in the presence of TGF-β weakened the promoting effect of the latter on glioma cells growth, and transfecting Nodal siRNA alone in the absence of exogenous TGF-β more profoundly inhibited the growth of glioma cells. These results demonstrated that while both TGF-β and Nodal promoted glioma cells growth, the former might exert such effect by enhancing Nodal expression, which may form a new target for glioma therapy.
A clinical perspective on regional nodal irradiation for breast cancer.
Moreno, Amy C; Shaitelman, Simona F; Buchholz, Thomas A
2017-08-01
The goal of regional treatments in breast cancer should be to eradicate any disease within lymph nodes, avoid regional recurrences, minimize the risk of distant metastases, and improve survival. In addition, regional treatments should focus on reducing potential morbidities and optimizing the long-term quality of life of breast cancer survivors. While data from recent surgical and radiation trials have helped clarify many issues regarding regional treatment, there still remains controversy as to the optimal approach for patients with "intermediate risk" disease. Two large radiation oncology studies (MA.20 and EORTC2292-10925) evaluated whether more extensive lymphatic treatment benefited patients with higher-risk lymph node-negative, or lower risk lymph node-positive disease. A meta-analysis of these two studies suggested that the addition of regional nodal irradiation (RNI) to the level III axillary, supraclavicular and upper internal mammary lymph nodes conferred an improvement in disease free survival and distant metastasis free survival as well as a 1-2% overall survival advantage. However, other studies have suggested that many patients with positive sentinel lymph nodes who are treated with breast conservation including breast irradiation may safely avoid the morbidity and costs of further axillary treatment (whether surgical or radiotherapy-based). In general, patients with 1-3 positive lymph nodes or high-risk, node negative stage II breast cancer represent a diverse population who require individualized, rather than group-based, risk assessment when considering RNI. This article will propose a strategic methodology to assess the modern day breast cancer patient's need for RNI in the setting of changing surgical, radiation, and systemic therapies. Copyright © 2017. Published by Elsevier Ltd.
Mathematical embryology: the fluid mechanics of nodal cilia
Smith, D. J.; Smith, A. A.; Blake, J. R.
2011-07-01
Left-right symmetry breaking is critical to vertebrate embryonic development; in many species this process begins with cilia-driven flow in a structure termed the `node'. Primary `whirling' cilia, tilted towards the posterior, transport morphogen-containing vesicles towards the left, initiating left-right asymmetric development. We review recent theoretical models based on the point-force stokeslet and point-torque rotlet singularities, explaining how rotation and surface-tilt produce directional flow. Analysis of image singularity systems enforcing the no-slip condition shows how tilted rotation produces a far-field `stresslet' directional flow, and how time-dependent point-force and time-independent point-torque models are in this respect equivalent. Associated slender body theory analysis is reviewed; this approach enables efficient and accurate simulation of three-dimensional time-dependent flow, time-dependence being essential in predicting features of the flow such as chaotic advection, which have subsequently been determined experimentally. A new model for the nodal flow utilising the regularized stokeslet method is developed, to model the effect of the overlying Reichert's membrane. Velocity fields and particle paths within the enclosed domain are computed and compared with the flow profiles predicted by previous `membrane-less' models. Computations confirm that the presence of the membrane produces flow-reversal in the upper region, but no continuous region of reverse flow close to the epithelium. The stresslet far-field is no longer evident in the membrane model, due to the depth of the cavity being of similar magnitude to the cilium length. Simulations predict that vesicles released within one cilium length of the epithelium are generally transported to the left via a `loopy drift' motion, sometimes involving highly unpredictable detours around leftward cilia [truncated
Postmastectomy internal mammary nodal irradiation: a long-term outcome.
Aleknavičius, Eduardas; Atkočius, Vydmantas; Kuzmickienė, Irena; Steponavičienė, Rita
2014-01-01
The internal mammary lymph nodes (IMN) have been recognized as a potential site of regional breast cancer spread. The aim of this study was to evaluate the impact of internal mammary node radiotherapy (RT) to on clinical outcomes in breast cancer patients treated with mastectomy and postoperative radiation therapy. This cohort study included 588 patients with breast cancers located in the central and medial quadrants. IMN RT was applied to 320 patients and 268 patients did not receive it IMN RT. Inside the IMN RT group, 165 patients received external beam IMN irradiation (IMN-EB). Mastectomy combined with using Californium-252 neutron source implantation was applied to 155 patients (IMN-BT). Cox proportional hazards modeling was used to determine the influence of IMN RT on clinical outcome. Age, tumor size, lymph nodal status, adjuvant radiotherapy, chemotherapy and hormonal therapy were assessed. IMN-EB resulted in a significant improvement of distant metastasis-free survival, breast cancer-specific survival and overall survival (P=0.033, P=0.037 and P=0.011, respectively). The IMN-EB radiotherapy has a significant impact on event-free survival (HR, 0.67; 95% CI, 0.46-0.91; P=0.043) and breast cancer-specific survival (HR, 0.64; 95% CI, 45-0.91; P=0.013) in patients with moderate-risk (stage T1-2N1). There was no association between IMN RT and clinical outcomes of patients with high-risk disease (stage T3-4N2-3) in any of the study end points. The effects of IMN-EB radiotherapy on event-free survival and breast cancer-specific survival were benefit for women with moderate-risk breast cancer. Copyright © 2014 Lithuanian University of Health Sciences. Production and hosting by Elsevier Urban & Partner Sp. z o.o. All rights reserved.
Unilateral submandibular gland aplasia masquerading as cancer nodal metastasis.
Shipchandler, Taha Z; Lorenz, Robert R
2008-01-01
Five reports have examined unilateral submandibular gland aplasia. The purposes of this report are to demonstrate submandibular gland aplasia leading to contralateral gland hypertrophy in the setting of oral cavity cancer and to discuss the corresponding diagnostic and management challenges. This study is a case report of a 60-year-old male who presented with pain on the right side of the mobile tongue. This report uses literature review. A 60-year-old male presented with pain on the right side of the mobile tongue. Subsequent results of punch biopsy revealed squamous cell carcinoma in situ with foci of microinvasion of the tongue. Head and neck examination revealed no abnormalities. The patient underwent a wide-local excision of the tongue lesion. Postoperative computed tomographic (CT) scan showed an asymmetric mass on the ipsilateral side of the cancer in the region of the submandibular gland. The gland was noted to be abnormally large. A diagnosis of contralateral submandibular gland aplasia was made. The patient is cancer-free at 2 years postlocal excision. Salivary gland aplasia is an extremely rare disorder and is often associated with various congenital syndromes. Unilateral submandibular gland aplasia is even rarer with ours representing the sixth reported case. Aplasia is believed to stem from a regional disturbance in early fetal development. Common symptoms can include dysphagia, dry mouth, decreased taste, and tooth decay. In the presence of a history of oral cavity cancer, unilateral submandibular gland aplasia poses a challenge during postoperative cancer follow-up. Unilateral submandibular gland aplasia in the setting of oral cavity cancer poses a unique challenge for cancer follow-up. Hypertrophy of the submandibular gland on the other side can masquerade as nodal metastasis. Head and neck examination as well as CT scan can be inconclusive. Regular confirmatory tests such as fine needle aspiration biopsy and positron emission tomography/CT for
Group-decoupled multi-group pin power reconstruction utilizing nodal solution 1D flux profiles
International Nuclear Information System (INIS)
Yu, Lulin; Lu, Dong; Zhang, Shaohong; Wang, Dezhong
2014-01-01
Highlights: • A direct fitting multi-group pin power reconstruction method is developed. • The 1D nodal solution flux profiles are used as the condition. • The least square fit problem is analytically solved. • A slowing down source improvement method is applied. • The method shows good accuracy for even challenging problems. - Abstract: A group-decoupled direct fitting method is developed for multi-group pin power reconstruction, which avoids both the complication of obtaining 2D analytic multi-group flux solution and any group-coupled iteration. A unique feature of the method is that in addition to nodal volume and surface average fluxes and corner fluxes, transversely-integrated 1D nodal solution flux profiles are also used as the condition to determine the 2D intra-nodal flux distribution. For each energy group, a two-dimensional expansion with a nine-term polynomial and eight hyperbolic functions is used to perform a constrained least square fit to the 1D intra-nodal flux solution profiles. The constraints are on the conservation of nodal volume and surface average fluxes and corner fluxes. Instead of solving the constrained least square fit problem numerically, we solve it analytically by fully utilizing the symmetry property of the expansion functions. Each of the 17 unknown expansion coefficients is expressed in terms of nodal volume and surface average fluxes, corner fluxes and transversely-integrated flux values. To determine the unknown corner fluxes, a set of linear algebraic equations involving corner fluxes is established via using the current conservation condition on all corners. Moreover, an optional slowing down source improvement method is also developed to further enhance the accuracy of the reconstructed flux distribution if needed. Two test examples are shown with very good results. One is a four-group BWR mini-core problem with all control blades inserted and the other is the seven-group OECD NEA MOX benchmark, C5G7
Extra-nodal extension is a significant prognostic factor in lymph node positive breast cancer.
Directory of Open Access Journals (Sweden)
Sura Aziz
Full Text Available Presence of lymph node (LN metastasis is a strong prognostic factor in breast cancer, whereas the importance of extra-nodal extension and other nodal tumor features have not yet been fully recognized. Here, we examined microscopic features of lymph node metastases and their prognostic value in a population-based cohort of node positive breast cancer (n = 218, as part of the prospective Norwegian Breast Cancer Screening Program NBCSP (1996-2009. Sections were reviewed for the largest metastatic tumor diameter (TD-MET, nodal afferent and efferent vascular invasion (AVI and EVI, extra-nodal extension (ENE, number of ENE foci, as well as circumferential (CD-ENE and perpendicular (PD-ENE diameter of extra-nodal growth. Number of positive lymph nodes, EVI, and PD-ENE were significantly increased with larger primary tumor (PT diameter. Univariate survival analysis showed that several features of nodal metastases were associated with disease-free (DFS or breast cancer specific survival (BCSS. Multivariate analysis demonstrated an independent prognostic value of PD-ENE (with 3 mm as cut-off value in predicting DFS and BCSS, along with number of positive nodes and histologic grade of the primary tumor (for DFS: P = 0.01, P = 0.02, P = 0.01, respectively; for BCSS: P = 0.02, P = 0.008, P = 0.02, respectively. To conclude, the extent of ENE by its perpendicular diameter was independently prognostic and should be considered in line with nodal tumor burden in treatment decisions of node positive breast cancer.
Multigroup, spatial kinetics for MOX-fueled LWRs based on harmonic analytical nodal method
Jiang, Guobing
2000-10-01
There has been substantial evidence during the last several years that the core neutronics methods that have been developed for uranium fueled LWRs do not perform satisfactorily when applied to the same cores fueled with mixed oxide, or more generally to heterogeneous cores with very different neutron spectra. A two-dimensional, 97 group MOX benchmark problem was developed and applied to analyze deficiencies of the current generation of LWR analysis methods. The errors in the current two group, coarse mesh nodal diffusion methods were described in terms of four primary effects: (1) a homogenization effect, (2) a spatial discretization effect, (3) a group collapsing effect, and (4) a transport effect. The specific objective of the research here was to address the first three of these effects with the development of a four energy group advanced nodal method. Several methods have been proposed over the last several years for extending the current class of nodal methods to four energy groups. A Taylor series analysis was performed of the order of error in the various analytic nodal methods proposed. The analysis showed that the harmonic part of the error dominated in the Taylor expansion and it was therefore prudent to retain the harmonic solution in all four energy groups. A new nodal kernel referred to as the Harmonic Analytic Nodal Method (HANM) was developed and implemented within the framework of the nonlinear nodal method. HANM was applied to a MOX benchmark problem and results were compared to a 97 group reference solution. The errors in the two group solution were reduced by about 50% through the application of a four group HANM with minimal increase in the computational burden.
Ultrasound-guided core biopsy: an effective method of detecting axillary nodal metastases.
LENUS (Irish Health Repository)
Solon, Jacqueline G
2012-02-01
BACKGROUND: Axillary nodal status is an important prognostic predictor in patients with breast cancer. This study evaluated the sensitivity and specificity of ultrasound-guided core biopsy (Ax US-CB) at detecting axillary nodal metastases in patients with primary breast cancer, thereby determining how often sentinel lymph node biopsy could be avoided in node positive patients. STUDY DESIGN: Records of patients presenting to a breast unit between January 2007 and June 2010 were reviewed retrospectively. Patients who underwent axillary ultrasonography with or without preoperative core biopsy were identified. Sensitivity, specificity, positive predictive value, and negative predictive value for ultrasonography and percutaneous biopsy were evaluated. RESULTS: Records of 718 patients were reviewed, with 445 fulfilling inclusion criteria. Forty-seven percent (n = 210\\/445) had nodal metastases, with 110 detected by Ax US-CB (sensitivity 52.4%, specificity 100%, positive predictive value 100%, negative predictive value 70.1%). Axillary ultrasonography without biopsy had sensitivity and specificity of 54.3% and 97%, respectively. Lymphovascular invasion was an independent predictor of nodal metastases (sensitivity 60.8%, specificity 80%). Ultrasound-guided core biopsy detected more than half of all nodal metastases, sparing more than one-quarter of all breast cancer patients an unnecessary sentinel lymph node biopsy. CONCLUSIONS: Axillary ultrasonography, when combined with core biopsy, is a valuable component of the management of patients with primary breast cancer. Its ability to definitively identify nodal metastases before surgical intervention can greatly facilitate a patient\\'s preoperative integrated treatment plan. In this regard, we believe our study adds considerably to the increasing data, which indicate the benefit of Ax US-CB in the preoperative detection of nodal metastases.
OSI Conformance Testing for Bibliographic Applications.
Arbez, Gilbert; Swain, Leigh
1990-01-01
Describes the development of Open Systems Interconnection (OSI) conformance testing sites, conformance testing tools, and conformance testing services. Discusses related topics such as interoperability testing, arbitration testing, and international harmonization of conformance testing. A glossary is included. (24 references) (SD)
DEFF Research Database (Denmark)
Gjerdrum Pedersen, Esben Rahbek; Neergaard, Peter; Thusgaard Pedersen, Janni
2013-01-01
This paper analyses how large Danish companies are responding to new governmental regulation which requires them to report on corporate social responsibility (CSR). The paper is based on an analysis of 142 company annual reports required by the new Danish regulation regarding CSR reporting, plus ...... in CSR reporting practices. Finally, it is argued that non-conformance with the new regulatory requirements is not solely about conscious resistance but may also be caused by, for example, lack of awareness, resource limitations, misinterpretations, and practical difficulties....
Classical extended conformal symmetries
International Nuclear Information System (INIS)
Viswanathan, R.
1990-02-01
Extensions of the Virasoro algebra are constructed as Poisson brackets of higher spin fields which appear as coefficient fields in certain covariant derivative operators of order N. These differential operators are constructed so as to be covariant under reparametrizations on fields of definite conformal dimension. Factorization of such an N-th order operator in terms of first order operators, together with the inclusion of a spin one U(1) current, is shown to lead to a two-parameter W-algebra. One of these parameters plays the role of interpolating between W-algebras based on different Lie algebras of the same rank. (author). 11 refs
DEFF Research Database (Denmark)
Mojaza, Matin; Pica, Claudio; Sannino, Francesco
2010-01-01
We compute the nonzero temperature free energy up to the order g^6 \\ln(1/g) in the coupling constant for vector like SU(N) gauge theories featuring matter transforming according to different representations of the underlying gauge group. The number of matter fields, i.e. flavors, is arranged...... of flavors. Surprisingly this number, if computed to the order g^2, agrees with previous predictions for the lower boundary of the conformal window for nonsupersymmetric gauge theories. The higher order results tend to predict a higher number of critical flavors. These are universal properties, i...
Heavy fermions: From nodal metals to super-spins
Ramires Neves de Oliveira, Aline
Condensed matter physics is an area of research which lies at a sweet spot between two complementary perspectives: the atomistic point of view which takes into account all the details of the system of interest; and the framework of universality and emergent phenomena, which allows us to make drastic simplifications to the microscopic description of materials while still being able to explain much of the experimentally observed phenomena. This thesis addresses problems from both perspectives, focusing on heavy fermion systems. Heavy fermion systems are prototype materials for the study of strongly correlations and quantum criticality. Theoretical understanding of these systems is important for the design of new materials and for the fundamental understanding of quantum critical phenomena. This thesis is strongly motivated by recent experiments in an intrinsically quantum critical material, beta-YbAlB 4. This system shows anomalous critical exponents in transport and thermodynamics. In Chapter 2 we construct a phenomenological theory for the heavy fermion metal beta-YbAlB4 based on the Anderson model, taking into account the peculiarities of this specific material. We analyze the consequences of a non-trivial, momentum-dependent, hybridization matrix between f-electrons and conduction electrons, which gives rise to a nodal metal with unusual dispersion and singular thermodynamic properties, in accordance with experiments. In Chapter 3 we analyze the Electron Spin Resonance experiments in this same material and propose a theory including spin-orbit coupling, crystal electric fields and hyperfine coupling which can account for many of the features of the experimentally observed signal. Within a broader perspective on heavy fermion systems, the absence of a single unified theoretical description which can account for the plethora of phenomena observed in this class of materials also motivates us to consider new theoretical approaches. In Chapter 4 we generalize the
Supergravitational conformal Galileons
Deen, Rehan; Ovrut, Burt
2017-08-01
The worldvolume actions of 3+1 dimensional bosonic branes embedded in a five-dimensional bulk space can lead to important effective field theories, such as the DBI conformal Galileons, and may, when the Null Energy Condition is violated, play an essential role in cosmological theories of the early universe. These include Galileon Genesis and "bouncing" cosmology, where a pre-Big Bang contracting phase bounces smoothly to the presently observed expanding universe. Perhaps the most natural arena for such branes to arise is within the context of superstring and M -theory vacua. Here, not only are branes required for the consistency of the theory, but, in many cases, the exact spectrum of particle physics occurs at low energy. However, such theories have the additional constraint that they must be N = 1 supersymmetric. This motivates us to compute the worldvolume actions of N = 1 supersymmetric three-branes, first in flat superspace and then to generalize them to N = 1 supergravitation. In this paper, for simplicity, we begin the process, not within the context of a superstring vacuum but, rather, for the conformal Galileons arising on a co-dimension one brane embedded in a maximally symmetric AdS 5 bulk space. We proceed to N = 1 supersymmetrize the associated worldvolume theory and then generalize the results to N = 1 supergravity, opening the door to possible new cosmological scenarios
Noori, Shahrbanoo F; Gangi, Alexandra; Nelson, Maria E; Choi, Michael; Mirzadehgan, Parisa; Bonk, Alison K; Mirocha, James; Amersi, Farin; Giuliano, Armando E
2014-10-01
This study evaluates whether nodal status differs between breast cancer patients with BRCA mutations and those confirmed not to harbor mutations. A prospective database identified patients with breast cancer who underwent genetic testing and axillary staging. Comparative variables included age, as well as tumor characteristics such as size, grade, lymphovascular invasion (LVI), estrogen receptor, progesterone receptor, human epidermal growth factor receptor 2 (HER2-neu), and nodal status. Overall, 235 patients with breast cancer underwent genetic testing for BRCA mutations from June 2000 to May 2012. Of these patients, 74 (31.4 %) were found to express BRCA 1 and/or 2 mutations, and 161 (68.5 %) patients were verified to have no detectable BRCA mutation. Among the entire 235 patients tested, 92 (39.1 %) were found to have nodal disease. In univariable analysis, only LVI and tumor size correlated with presence of nodal metastasis. Of the 74 BRCA mutation carriers, 34 (45.9 %) had nodal metastasis compared with 58 of the 161 (36 %; p = 0.15) patients without a BRCA mutation. BRCA mutation carriers with nodal disease were more likely to have poorly differentiated tumors than those without mutations who had nodal disease (24/33 [72.7 %] vs. 27/57 [47.4 %]; p = 0.027). BRCA mutations are not themselves predictive of nodal metastasis. Patients with BRCA mutations did not have a statistically significant higher prevalence of nodal metastasis than those without mutations.
Wang, Yi; Jiang, Yang; Tian, Tian; Hori, Yumiko; Wada, Naoki; Ikeda, Jun-ichiro; Morii, Eiichi
2013-11-01
Cancers consist of heterogeneous populations. Recently, it has been demonstrated that cells with tumorigenic potential are limited to a small population, called cancer-initiating cells (CICs). Aldehyde dehydrogenase 1 (ALDH1) is one of the markers of CICs. We previously reported that ALDH1-high cases of uterine endometrioid adenocarcinoma showed poor prognosis, and ALDH1-high population of endometrioid adenocarcinoma cell line was more tumorigenic, resistant to anti-cancer drugs, and invasive than ALDH1-low population. Here, the regulatory signaling for ALDH1 was examined. The inhibition of TGF-β signaling increased ALDH1-high population. Among TGF-β family members, Nodal expression and ALDH1 expression levels were mutually exclusive. Immunohistochemical analysis on clinical samples revealed Nodal-high tumor cells to be ALDH-low and vise versa, suggesting that Nodal may inhibit ALDH1 expression via stimulating TGF-β signaling in uterine endometrioid adenocarcinoma. In fact, the addition of Nodal to endometrioid adenocarcinoma cell line reduced ALDH1-high population. Although ALDH1 mRNA level was not affected, the amount of ALDH1 protein appeared to be reduce by Nodal through ubiquitine-proteasome pathway. The regulation of TGF-β signaling might be a novel therapeutic target of CICs in endometrioid adenocarcinoma. Copyright © 2013. Published by Elsevier Inc.
Role of Nodal-PITX2C signaling pathway in glucose-induced cardiomyocyte hypertrophy.
Su, Dongmei; Jing, Sun; Guan, Lina; Li, Qian; Zhang, Huiling; Gao, Xiaobo; Ma, Xu
2014-06-01
Pathological cardiac hypertrophy is a major cause of morbidity and mortality in cardiovascular disease. Recent studies have shown that cardiomyocytes, in response to high glucose (HG) stimuli, undergo hypertrophic growth. While much work still needs to be done to elucidate this important mechanism of hypertrophy, previous works have showed that some pathways or genes play important roles in hypertrophy. In this study, we showed that sublethal concentrations of glucose (25 mmol/L) could induce cardiomyocyte hypertrophy with an increase in the cellular surface area and the upregulation of the atrial natriuretic peptide (ANP) gene, a hypertrophic marker. High glucose (HG) treatments resulted in the upregulation of the Nodal gene, which is under-expressed in cardiomyocytes. We also determined that the knockdown of the Nodal gene resisted HG-induced cardiomyocyte hypertrophy. The overexpression of Nodal was able to induce hypertrophy in cardiomyocytes, which was associated with the upregulation of the PITX2C gene. We also showed that increases in the PITX2C expression, in response to Nodal, were mediated by the Smad4 signaling pathway. This study is highly relevant to the understanding of the effects of the Nodal-PITX2C pathway on HG-induced cardiomyocyte hypertrophy, as well as the related molecular mechanisms.
Nodalization effects on RELAP5 results related to MTR research reactor transient scenarios
Directory of Open Access Journals (Sweden)
Khedr Ahmed
2005-01-01
Full Text Available The present work deals with the anal y sis of RELAP5 results obtained from the evaluation study of the total loss of flow transient with the deficiency of the heat removal system in a research reactor using two different nodalizations. It focuses on the effect of nodalization on the thermal-hydraulic evaluation of the re search reactor. The analysis of RELAP5 results has shown that nodalization has a big effect on the predicted scenario of the postulated transient. There fore, great care should be taken during the nodalization of the reactor, especially when the avail able experimental or measured data are insufficient for making a complete qualification of the nodalization. Our analysis also shows that the research reactor pool simulation has a great effect on the evaluation of natural circulation flow and on other thermal-hydraulic parameters during the loss of flow transient. For example, the on set time of core boiling changes from less than 2000 s to 15000 s, starting from the beginning of the transient. This occurs if the pool is simulated by two vertical volumes in stead of one vertical volume.
Conformational Study of Taurine in the Gas Phase
Cortijo, Vanessa; Sanz, M. Eugenia; López, Juan C.; Alonso, José L.
2009-08-01
The conformational preferences of the amino sulfonic acid taurine (NH2-CH2-CH2-SO3H) have been investigated in the gas phase by laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW) in the 6-14 GHz frequency range. One conformer has been observed, and its rotational, centrifugal distortion, and hyperfine quadrupole coupling constants have been determined from the analysis of its rotational spectrum. Comparison of the experimental constants with those calculated theoretically identifies the detected conformer unambiguously. The observed conformer of taurine is stabilized by an intramolecular hydrogen bond O-H···N between the hydrogen of the sulfonic acid group and the nitrogen atom of the amino group.
Spontaneous Symmetry Breaking in 5D Conformally Invariant Gravity
Directory of Open Access Journals (Sweden)
Taeyoon Moon
2016-01-01
Full Text Available We explore the possibility of the spontaneous symmetry breaking in 5D conformally invariant gravity, whose action consists of a scalar field nonminimally coupled to the curvature with its potential. Performing dimensional reduction via ADM decomposition, we find that the model allows an exact solution giving rise to the 4D Minkowski vacuum. Exploiting the conformal invariance with Gaussian warp factor, we show that it also admits a solution which implements the spontaneous breaking of conformal symmetry. We investigate its stability by performing the tensor perturbation and find the resulting system is described by the conformal quantum mechanics. Possible applications to the spontaneous symmetry breaking of time-translational symmetry along the dynamical fifth direction and the brane-world scenario are discussed.
Dimensional reduction for conformal blocks
Hogervorst, Matthijs
2016-09-01
We consider the dimensional reduction of a CFT, breaking multiplets of the d-dimensional conformal group SO( d + 1 , 1) up into multiplets of SO( d, 1). This leads to an expansion of d-dimensional conformal blocks in terms of blocks in d - 1 dimensions. In particular, we obtain a formula for 3 d conformal blocks as an infinite sum over 2 F 1 hypergeometric functions with closed-form coefficients.
Characterization of conformational dynamics of bistable RNA by equilibrium and non-equilibrium NMR.
Fürtig, Boris; Reining, Anke; Sochor, Florian; Oberhauser, Eva Marie; Heckel, Alexander; Schwalbe, Harald
2014-12-19
Unlike proteins, a given RNA sequence can adopt more than a single conformation. The two (or more) conformations are long-lived and have similar stabilities, but interconvert only slowly. Such bi- or multistability is often linked to the biological functions of the RNA. This unit describes how nuclear magnetic resonance (NMR) spectroscopy can be used to characterize the conformational dynamics of bistable RNAs. Copyright © 2014 John Wiley & Sons, Inc.
A simplified presentation of the multigroup analytic nodal method in 2-D Cartesian geometry
International Nuclear Information System (INIS)
Hebert, Alain
2008-01-01
The nodal diffusion algorithms used in many production reactor simulation codes are originating from a common ancestry developed in the 1970s, the analytic nodal method (ANM) of the QUANDRY code. However, this original presentation of the ANM is complex and makes difficult the calculation of the nodal coupling matrices. Moreover, QUANDRY is limited to two-energy groups and its generalization to more groups appears laborious. We are presenting a simplified implementation of the ANM requiring only limited programming work. This formulation is consistent with the initial QUANDRY implementation and is easily generalizable to arbitrary G-group problems. A Matlab script is provided to highlight the simplicity of our presentation. For the sake of clarity, our implementation is limited to G-group, 2-D Cartesian geometry
Harrison, N; Sebastian, S E
2011-06-03
A multiple wave vector (Q) reconstruction of the Fermi surface is shown to yield a profoundly different electronic structure to that characteristic of single wave vector reconstruction, despite their proximity in energy. We consider the specific case in which ordering is generated by Q(x)=[2πa,0] and Q(y)=[0,2πb] (in which a=b=1/4)-similar to those identified in neutron diffraction and scanning tunneling microscopy experiments-and more generally show that an isolated pocket adjacent to the nodal point k(nodal)=[±π/2,±π/2] is a protected feature of such a multiple-Q model, potentially corresponding to the nodal "Fermi arcs" observed in photoemission and the small size of the electronic heat capacity found in high magnetic fields-importantly, containing electron carriers which can yield negative Hall and Seebeck coefficients observed in high magnetic fields.
SIRIUS - A one-dimensional multigroup analytic nodal diffusion theory code
Energy Technology Data Exchange (ETDEWEB)
Forslund, P. [Westinghouse Atom AB, Vaesteraas (Sweden)
2000-09-01
In order to evaluate relative merits of some proposed intranodal cross sections models, a computer code called Sirius has been developed. Sirius is a one-dimensional, multigroup analytic nodal diffusion theory code with microscopic depletion capability. Sirius provides the possibility of performing a spatial homogenization and energy collapsing of cross sections. In addition a so called pin power reconstruction method is available for the purpose of reconstructing 'heterogeneous' pin qualities. consequently, Sirius has the capability of performing all the calculations (incl. depletion calculations) which are an integral part of the nodal calculation procedure. In this way, an unambiguous numerical analysis of intranodal cross section models is made possible. In this report, the theory of the nodal models implemented in sirius as well as the verification of the most important features of these models are addressed.
Theoretical investigation of the conformational space of baicalin.
Martínez Medina, Juan J; Ferrer, Evelina G; Williams, Patricia A M; Okulik, Nora B
2017-09-01
Flavonoids are a large group of polyphenolic compounds ubiquitously present in plants. They are important components of human diet. They are recognized as potential drug candidates to be used in the treatment and prevention of a lot of pathological disorders, due to their protective effects. Baicalin (7-glucuronic acid 5, 6-dihydroxyflavone) is one of the main single active constituents isolated from the dried roots of Scutellaria baicalensis Georgi. The great interest on this flavonoid is due to its various pharmacological properties, such as antioxidant, antimicrobial, anti-inflammatory, anticancer and so on, and its high accumulation in the roots of S. baicalensis. The aim of our work was to analyze the geometric and electronic properties of baicalin conformers (BCL), thus performing a complete search on the conformational space of this flavonoid in gas phase and in aqueous solution. The results indicate that the conformational space of baicalin is formed by eight conformers in gas phase and five conformers in aqueous solution optimized at B3LYP/6-311++G** theory level. BCLa2 TT and BCLa1 TT conformers have low stability in gas phase and very high stability in aqueous solution. This variation is related to a modification in the τ 1 angle that represents the relative position of the glucuronide unit respect to the central rings of the flavan nucleus (A and C). This modification was successfully explained by examining the changes in the hydrogen bond (HB) interactions that occur in the region around the hydroxyl group located in position 6 of ring A. Besides, the molecular electrostatic potential (MEP) and frontier molecular orbital (FMO) analyses indicate that BCLa2 TT and BCLa1 TT conformers are the most favorable conformers for interacting with positively charged species (such as metal ions) in aqueous media (such as biological fluids). Copyright © 2017 Elsevier Inc. All rights reserved.
Reflections on Conformal Spectra
CERN. Geneva
2015-01-01
We use modular invariance and crossing symmetry of conformal field theory to reveal approximate reflection symmetries in the spectral decompositions of the partition function in two dimensions in the limit of large central charge and of the four-point function in any dimension in the limit of large scaling dimensions Δ0 of external operators. We use these symmetries to motivate universal upper bounds on the spectrum and the operator product expansion coefficients, which we then derive by independent techniques. Some of the bounds for four-point functions are valid for finite Δ0 as well as for large Δ0. We discuss a similar symmetry in a large spacetime dimension limit. Finally, we comment on the analogue of the Cardy formula and sparse light spectrum condition for the four-point function. (based on 1510.08772 with Kim & Ooguri). This seminar will be given via videolink
Instantons in conformal gravity
International Nuclear Information System (INIS)
Strominger, A.; Horowitz, G.T.; Perry, M.J.
1984-01-01
Fe study extrema of the general conformally invariant action: Ssub(c)=∫1/sub(α) 2 Csup(abcd)Csub(abcd)+γRsup(abcd*)Rsup(*)sub(abcd)+iTHETARsup(abcd)*Rsub(abcd). We find the first examples in four dimensions of asymptotically euclidean gravitational instantons. These have arbitrary Euler number and Hirzebruch signature. Some of these instantons represent tunneling between zero-curvature vacua that are not related by small gauge transformations. Others represent tunneling between flat space and topologically non-trivial zero-energy initial data. A general formula for the one-loop determinant is derived in terms of the renormalization group invariant masses, the volume of space-time, the Euler number and the Hirzebruch signature. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Rischke, Hans Christian [University of Freiburg, Department of Radiation Oncology, Freiburg (Germany); University of Freiburg, Department of Nuclear Medicine, Freiburg (Germany); Schultze-Seemann, Wolfgang; Kroenig, Malte; Schlager, Daniel; Jilg, Cordula Annette [University of Freiburg, Department of Urology, Freiburg (Germany); Wieser, Gesche [University of Freiburg, Department of Nuclear Medicine, Freiburg (Germany); Drendel, Vanessa [University of Freiburg, Department of Pathology, Freiburg (Germany); Stegmaier, Petra; Henne, Karl; Volegova-Neher, Natalia; Grosu, Anca-Ligia [University of Freiburg, Department of Radiation Oncology, Freiburg (Germany); Krauss, Tobias; Kirste, Simon [University of Freiburg, Department of Radiology, Freiburg (Germany)
2015-04-01
Nodal pelvic/retroperitoneal recurrent prostate cancer (PCa) after primary therapy can be treated with salvage lymph node dissection (salvage-LND) in order to delay disease progression and offer cure for a subset of patients. Whether adjuvant radiotherapy (ART) in affected regions improves the outcome by elimination of residual tumour burden remains unclear. A total of 93 patients with exclusively nodal PCa relapse underwent choline-positron-emission tomography-computed-tomography-directed pelvic/retroperitoneal salvage-LND; 46 patients had surgery only and 47 patients received ART in regions with proven lymph node metastases. In case of subsequent prostate specific antigen (PSA) progression, different imaging modalities were performed to confirm next relapse within or outside the treated region (TR). Mean follow-up was 3.2 years. Lymphatic tumour burden was balanced between the two groups. Additional ART resulted in delayed relapse within TR (5-year relapse-free rate 70.7 %) versus surgery only (5-year relapse-free rate 26.3 %, p < 0.0001). In both treatment arms, time to next relapse outside the TR was almost equal (median 27 months versus 29.6 months, p = 0.359). With respect to the detection of the first new lesion, regardless if present within or outside the TR, 5 years after the treatment 34.3 % of patients in the group with additional ART were free of relapse, versus 15.4 % in the surgery only group (p = 0.0122). ART had no influence on the extent of PSA reduction at latest follow-up compared to treatment with surgery only. ART after salvage-LND provides stable local control in TR and results in overall significant improved next-relapse-free survival, compared to patients who received surgery only in case of nodal PCa-relapse. (orig.) [German] Das nodal positive Prostatakarzinom(PCa)-Rezidiv nach Primaertherapie kann durch eine Salvage-Lymphadenektomie (Salvage-LND) therapiert werden. Der Krankheitsprogress wird aufgehalten und selektionierte Patienten
Energy Technology Data Exchange (ETDEWEB)
Brodsky, S
2003-11-19
Theoretical and phenomenological evidence is now accumulating that the QCD coupling becomes constant at small virtuality; i.e., {alpha}{sub s}(Q{sup 2}) develops an infrared fixed point in contradiction to the usual assumption of singular growth in the infrared. For example, the hadronic decays of the {tau} lepton can be used to determine the effective charge {alpha}{sub {tau}}(m{sub {tau}{prime}}{sup 2}) for a hypothetical {tau}-lepton with mass in the range 0 < m{sub {tau}{prime}} < m{sub {tau}}. The {tau} decay data at low mass scales indicates that the effective charge freezes at a value of s = m{sub {tau}{prime}}{sup 2} of order 1 GeV{sup 2} with a magnitude {alpha}{sub {tau}} {approx} 0.9 {+-} 0.1. The near-constant behavior of effective couplings suggests that QCD can be approximated as a conformal theory even at relatively small momentum transfer and why there are no significant running coupling corrections to quark counting rules for exclusive processes. The AdS/CFT correspondence of large N{sub c} supergravity theory in higher-dimensional anti-de Sitter space with supersymmetric QCD in 4-dimensional space-time also has interesting implications for hadron phenomenology in the conformal limit, including an all-orders demonstration of counting rules for exclusive processes and light-front wavefunctions. The utility of light-front quantization and light-front Fock wavefunctions for analyzing nonperturbative QCD and representing the dynamics of QCD bound states is also discussed.
Compact conformations of human protein disulfide isomerase.
Directory of Open Access Journals (Sweden)
Shang Yang
Full Text Available Protein disulfide isomerase (PDI composed of four thioredoxin-like domains a, b, b', and a', is a key enzyme catalyzing oxidative protein folding in the endoplasmic reticulum. Large scale molecular dynamics simulations starting from the crystal structures of human PDI (hPDI in the oxidized and reduced states were performed. The results indicate that hPDI adopts more compact conformations in solution than in the crystal structures, which are stabilized primarily by inter-domain interactions, including the salt bridges between domains a and b' observed for the first time. A prominent feature of the compact conformations is that the two catalytic domains a and a' can locate close enough for intra-molecular electron transfer, which was confirmed by the characterization of an intermediate with a disulfide between the two domains. Mutations, which disrupt the inter-domain interactions, lead to decreased reductase activity of hPDI. Our molecular dynamics simulations and biochemical experiments reveal the intrinsic conformational dynamics of hPDI and its biological impact.
Glover, A R; Allan, C P; Wilkinson, M J; Strauss, D C; Thomas, J M; Hayes, A J
2014-06-01
Patients who present with palpable inguinal melanoma nodal metastasis have two surgical options: inguinal or ilioinguinal lymph node dissection. Indications for either operation remain controversial. This study examined survival and recurrence outcomes following ilioinguinal dissection for patients with palpable inguinal nodal metastasis, and assessed the incidence and preoperative predictors of pelvic nodal metastasis. This was a retrospective clinicopathological analysis of consecutive surgical patients with stage III malignant melanoma. All patients underwent a standardized ilioinguinal dissection at a specialist tertiary oncology hospital over a 12-year period (1998-2010). Some 38.9 per cent of 113 patients had metastatic pelvic nodes. Over a median follow-up of 31 months, the 5-year overall survival rate was 28 per cent for patients with metastatic inguinal and pelvic nodes, and 51 per cent for those with inguinal nodal metastasis only (P = 0.002). The nodal basin control rate was 88.5 per cent. Despite no evidence of pelvic node involvement on preoperative computed tomography (CT), six patients (5.3 per cent) with a single metastatic inguinal lymph node had metastatic pelvic lymph nodes. Logistic regression analysis showed that the number of metastatic inguinal nodes (odds ratio 1.56; P = 0.021) and suspicious CT findings (odds ratio 9.89; P = 0.001) were both significantly associated with metastatic pelvic nodes. The specificity of CT was good (89.2 per cent) in detecting metastatic pelvic nodes, but the sensitivity was limited (57.9 per cent). Metastatic pelvic nodes are common when palpable metastatic inguinal nodes are present. Long-term survival can be achieved following their resection by ilioinguinal dissection. As metastatic pelvic nodes cannot be diagnosed reliably by preoperative CT, patients presenting with palpable inguinal nodal metastasis should be considered for ilioinguinal dissection. © 2014 BJS Society Ltd. Published by John Wiley & Sons
A geometrically exact beam element based on the absolute nodal coordinate formulation
Energy Technology Data Exchange (ETDEWEB)
Gerstmayr, Johannes [Linz Center of Mechatronics GmbH (Austria)], E-mail: Johannes.gerstmayr@jku.at; Matikainen, Marko K., E-mail: marko.matikainen@lut.fi; Mikkola, Aki M. [Lappeenranta University of Technology, Department of Mechanical Engineering, Institute of Mechatronics and Virtual Engineering (Finland)], E-mail: aki.mikkola@lut.fi
2008-11-15
In this study, Reissner's classical nonlinear rod formulation, as implemented by Simo and Vu-Quoc by means of the large rotation vector approach, is implemented into the framework of the absolute nodal coordinate formulation. The implementation is accomplished in the planar case accounting for coupled axial, bending, and shear deformation. By employing the virtual work of elastic forces similarly to Simo and Vu-Quoc in the absolute nodal coordinate formulation, the numerical results of the formulation are identical to those of the large rotation vector formulation. It is noteworthy, however, that the material definition in the absolute nodal coordinate formulation can differ from the material definition used in Reissner's beam formulation. Based on an analytical eigenvalue analysis, it turns out that the high frequencies of cross section deformation modes in the absolute nodal coordinate formulation are only slightly higher than frequencies of common shear modes, which are present in the classical large rotation vector formulation of Simo and Vu-Quoc, as well. Thus, previous claims that the absolute nodal coordinate formulation is inefficient or would lead to ill-conditioned finite element matrices, as compared to classical approaches, could be refuted. In the introduced beam element, locking is prevented by means of reduced integration of certain parts of the elastic forces. Several classical large deformation static and dynamic examples as well as an eigenvalue analysis document the equivalence of classical nonlinear rod theories and the absolute nodal coordinate formulation for the case of appropriate material definitions. The results also agree highly with those computed in commercial finite element codes.
A geometrically exact beam element based on the absolute nodal coordinate formulation
International Nuclear Information System (INIS)
Gerstmayr, Johannes; Matikainen, Marko K.; Mikkola, Aki M.
2008-01-01
In this study, Reissner's classical nonlinear rod formulation, as implemented by Simo and Vu-Quoc by means of the large rotation vector approach, is implemented into the framework of the absolute nodal coordinate formulation. The implementation is accomplished in the planar case accounting for coupled axial, bending, and shear deformation. By employing the virtual work of elastic forces similarly to Simo and Vu-Quoc in the absolute nodal coordinate formulation, the numerical results of the formulation are identical to those of the large rotation vector formulation. It is noteworthy, however, that the material definition in the absolute nodal coordinate formulation can differ from the material definition used in Reissner's beam formulation. Based on an analytical eigenvalue analysis, it turns out that the high frequencies of cross section deformation modes in the absolute nodal coordinate formulation are only slightly higher than frequencies of common shear modes, which are present in the classical large rotation vector formulation of Simo and Vu-Quoc, as well. Thus, previous claims that the absolute nodal coordinate formulation is inefficient or would lead to ill-conditioned finite element matrices, as compared to classical approaches, could be refuted. In the introduced beam element, locking is prevented by means of reduced integration of certain parts of the elastic forces. Several classical large deformation static and dynamic examples as well as an eigenvalue analysis document the equivalence of classical nonlinear rod theories and the absolute nodal coordinate formulation for the case of appropriate material definitions. The results also agree highly with those computed in commercial finite element codes
A transient, Hex-Z nodal code corrected by discontinuity factors
International Nuclear Information System (INIS)
Shatilla, Y.A.M.; Henry, A.F.
1993-01-01
This document constitutes Volume 1 of the Final Report of a three-year study supported by the special Research Grant Program for Nuclear Energy Research set up by the US Department of Energy. The original motivation for the work was to provide a fast and accurate computer program for the analysis of transients in heavy water or graphite-moderated reactors being considered as candidates for the New Production Reactor. Thus, part of the funding was by way of pass-through money from the Savannah River Laboratory. With this intent in mind, a three-dimensional (Hex-Z), general-energy-group transient, nodal code was created, programmed, and tested. In order to improve accuracy, correction terms, called open-quotes discontinuity factors,close quotes were incorporated into the nodal equations. Ideal values of these factors force the nodal equations to provide node-integrated reaction rates and leakage rates across nodal surfaces that match exactly those edited from a more exact reference calculation. Since the exact reference solution is needed to compute the ideal discontinuity factors, the fact that they result in exact nodal equations would be of little practical interest were it not that approximate discontinuity factors, found at a greatly reduced cost, often yield very accurate results. For example, for light-water reactors, discontinuity factors found from two-dimensional, fine-mesh, multigroup transport solutions for two-dimensional cuts of a fuel assembly provide very accurate predictions of three-dimensional, full-core power distributions. The present document (volume 1) deals primarily with the specification, programming and testing of the three-dimensional, Hex-Z computer program. The program solves both the static (eigenvalue) and transient, general-energy-group, nodal equations corrected by user-supplied discontinuity factors
On the treatment of nonlinear local feedbacks within advanced nodal generalized perturbation theory
International Nuclear Information System (INIS)
Maldonado, G.I.; Turinsky, P.J.; Kropaczek, D.J.
1993-01-01
Recent efforts to upgrade the underlying neutronics formulations within the in-core nuclear fuel management optimization code FORMOSA (Ref. 1) have produced two important developments; first, a computationally efficient and second-order-accurate advanced nodal generalized perturbation theory (GPT) model [derived from the nonlinear iterative nodal expansion method (NEM)] for evaluating core attributes (i.e., k eff and power distribution versus cycle burnup), and second, an equally efficient and accurate treatment of local thermal-hydraulic and fission product feedbacks embedded within NEM GPT. The latter development is the focus of this paper
Spectral nodal method for one-speed X,Y-geometry Eigenvalue diffusion problems
International Nuclear Information System (INIS)
Dominguez, Dany S.; Lorenzo, Daniel M.; Hernandez, Carlos G.; Barros, Ricardo C.; Silva, Fernando C. da
2001-01-01
Presented here is a new numerical nodal method for steady-state multidimensional neutron diffusion equation in rectangular geometry. Our method is based on a spectral analysis of the transverse-integrated nodal diffusion equations. These equations are obtained by integrating the diffusion equation in X and Y directions, and then considering flat approximations for the transverse leakage terms. These flat approximations are the only approximations that we consider in this method; as a result the numerical solutions are completely free from truncation errors in slab geometry. We show numerical results to illustrate the method's accuracy for coarse mesh calculations in a heterogeneous medium. (author)
Riou, O; Bourgier, C; Fenoglietto, P; Azria, D
2015-06-01
Treatment volume is a major risk factor of radiation-induced toxicity. As nodal irradiation increases treatment volume, radiation toxicity should be greater. Nevertheless, scientific randomised data do not support this fact. However, a radiation-induced toxicity is possible outside tangential fields in the nodal volumes not related to breast-only treatment. Treatment should not be adapted only to the disease but personalized to the individual risk of toxicity for each patient. Copyright © 2015 Société française de radiothérapie oncologique (SFRO). Published by Elsevier SAS. All rights reserved.
Directory of Open Access Journals (Sweden)
Ankur A. Karnik, MD
2014-01-01
Full Text Available Dual atrioventricular nodal nonreentrant tachycardia (DAVNNT occurs due to concurrent antegrade conduction over fast and slow atrioventricular nodal pathways and is treated by slow pathway modification. We describe a unique case of a patient with cardiac sarcoidosis who received inappropriate ICD shocks for DAVNNT. Atrial and ventricular device electrograms satisfied both rate and V>A criteria for ventricular tachycardia. We postulate that alterations in refractoriness and conduction as is seen in cardiac sarcoidosis (CS may have contributed to occurrence of DAVNNT.
Energy Technology Data Exchange (ETDEWEB)
Lao, Louis [Department of Radiation Oncology, Princess Margaret Cancer Centre, University of Toronto, Toronto, Ontario (Canada); Department of Radiation Oncology, Auckland City Hospital, Auckland (New Zealand); Hope, Andrew J. [Department of Radiation Oncology, Princess Margaret Cancer Centre, University of Toronto, Toronto, Ontario (Canada); Maganti, Manjula [Department of Biostatistics, Princess Margaret Cancer Centre, University of Toronto, Toronto, Ontario (Canada); Brade, Anthony; Bezjak, Andrea; Saibishkumar, Elantholi P.; Giuliani, Meredith; Sun, Alexander [Department of Radiation Oncology, Princess Margaret Cancer Centre, University of Toronto, Toronto, Ontario (Canada); Cho, B. C. John, E-mail: john.cho@rmp.uhn.on.ca [Department of Radiation Oncology, Princess Margaret Cancer Centre, University of Toronto, Toronto, Ontario (Canada)
2014-09-01
Purpose: Reported rates of non-small cell lung cancer (NSCLC) nodal failure following stereotactic body radiation therapy (SBRT) are lower than those reported in the surgical series when matched for stage. We hypothesized that this effect was due to incidental prophylactic nodal irradiation. Methods and Materials: A prospectively collected group of medically inoperable early stage NSCLC patients from 2004 to 2010 was used to identify cases with nodal relapses. Controls were matched to cases, 2:1, controlling for tumor volume (ie, same or greater) and tumor location (ie, same lobe). Reference (normalized to equivalent dose for 2-Gy fractions [EQD2]) point doses at the ipsilateral hilum and carina, demographic data, and clinical outcomes were extracted from the medical records. Univariate conditional logistical regression analyses were performed with variables of interest. Results: Cases and controls were well matched except for size. The controls, as expected, had larger gross tumor volumes (P=.02). The mean ipsilateral hilar doses were 9.6 Gy and 22.4 Gy for cases and controls, respectively (P=.014). The mean carinal doses were 7.0 Gy and 9.2 Gy, respectively (P=.13). Mediastinal nodal relapses, with and without ipsilateral hilar relapse, were associated with mean ipsilateral hilar doses of 3.6 Gy and 19.8 Gy, respectively (P=.01). The conditional density plot appears to demonstrate an inverse dose-effect relationship between ipsilateral hilar normalized total dose and risk of ipsilateral hilar relapse. Conclusions: Incidental hilar dose greater than 20 Gy is significantly associated with fewer ipsilateral hilar relapses in inoperable early stage NSCLC patients treated with SBRT.
On Associative Conformal Algebras of Linear Growth
Retakh, Alexander
2000-01-01
Lie conformal algebras appear in the theory of vertex algebras. Their relation is similar to that of Lie algebras and their universal enveloping algebras. Associative conformal algebras play a role in conformal representation theory. We introduce the notions of conformal identity and unital associative conformal algebras and classify finitely generated simple unital associative conformal algebras of linear growth. These are precisely the complete algebras of conformal endomorphisms of finite ...
Replacement between conformity and counter-conformity in consumption decisions.
Chou, Ting-Jui; Chang, En-Chung; Dai, Qi; Wong, Veronica
2013-02-01
This study assessed, in a Chinese context, how self-esteem interacts with perceived similarity and uniqueness to yield cognitive dissonance, and whether the dissonance leads to self-reported conformity or counter-conformity behavior. Participants were 408 respondents from 4 major Chinese cities (M age = 33.0 yr., SD = 4.3; 48% men). Self-perceptions of uniqueness, similarity, cognitive dissonance, self-esteem and need to behave in conformity or counter-conformity were measured. A theoretical model was assessed in four situations, relating the ratings of self-esteem and perceived similarity/uniqueness to the way other people at a wedding were dressed, and the resultant cognitive dissonance and conformity/ counter-conformity behavior. Regardless of high or low self-esteem, all participants reported cognitive dissonance when they were told that they were dressed extremely similarly to or extremely differently from the other people attending the wedding. However, the conforming/counter-conforming strategies used by participants to resolve the cognitive dissonance differed. When encountering dissonance induced by the perceived extreme uniqueness of dress, participants with low self-esteem tended to say they would dress next time so as to conform with the way others were dressed, while those with high self-esteem indicated they would continue their counter-conformity in attire. When encountering dissonance induced by the perceived extreme similarity to others, both those with high and low self-esteem tended to say they would dress in an unorthodox manner to surprise other people in the future.
Prabavathi, N; Nilufer, A; Krishnakumar, V
2013-10-01
The FTIR and FT-Raman spectra of 2-hydroxyquinoline and its derivatives have been recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1), respectively. The optimized geometry, frequency and intensity of the vibrational bands of these compounds were obtained by the density functional theory using 6-311++G(d,p) basis sets. The harmonic vibrational frequencies were calculated and the scaled values have been compared with experimental FTIR and FT-Raman spectra. A detailed interpretation of the infrared and Raman spectra were also reported based on total energy distribution (TED). The observed and the calculated frequencies are found to be in good agreement. The experimental spectra also coincide satisfactorily with those of theoretically simulated spectra. (1)H and (13)C NMR spectra were recorded and its corresponding nuclear magnetic resonance chemical shifts of the molecule were also calculated using the gauge independent atomic orbital (GIAO) method. UV-visible spectrum of the compound was recorded and the electronic properties HOMO and LUMO energies were measured by time-dependent (TD-DFT) approach. Molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO). The calculated HOMO and LUMO energies show that charge transfer occurs in the molecules. In addition, the non-linear optical properties were discussed from the dipole moment values and excitation wavelength in the UV-visible region. Copyright © 2013 Elsevier B.V. All rights reserved.
Classical Virasoro irregular conformal block
Rim, Chaiho; Zhang, Hong
2015-07-01
Virasoro irregular conformal block with arbitrary rank is obtained for the classical limit or equivalently Nekrasov-Shatashvili limit using the beta-deformed irregular matrix model (Penner-type matrix model for the irregular conformal block). The same result is derived using the generalized Mathieu equation which is equivalent to the loop equation of the irregular matrix model.
Classical Virasoro irregular conformal block
Energy Technology Data Exchange (ETDEWEB)
Rim, Chaiho; Zhang, Hong [Department of Physics and Center for Quantum Spacetime (CQUeST), Sogang University,Seoul 121-742 (Korea, Republic of)
2015-07-30
Virasoro irregular conformal block with arbitrary rank is obtained for the classical limit or equivalently Nekrasov-Shatashvili limit using the beta-deformed irregular matrix model (Penner-type matrix model for the irregular conformal block). The same result is derived using the generalized Mathieu equation which is equivalent to the loop equation of the irregular matrix model.
Counselor Identity: Conformity or Distinction?
McLaughlin, Jerry E.; Boettcher, Kathryn
2009-01-01
The authors explore 3 debates in other disciplines similar to counseling's identity debate in order to learn about common themes and outcomes. Conformity, distinction, and cohesion emerged as common themes. They conclude that counselors should retain their distinctive, humanistic approach rather than conforming to the dominant, medical approach.
Hazboun, Jeffrey Shafiq
2014-10-01
Cartan geometry provides a rich formalism from which to look at various geometrically motivated extensions to general relativity. In this manuscript, we start by motivating reasons to extend the theory of general relativity. We then introduce the reader to our technique, called the quotient manifold method, for extending the geometry of spacetime. We will specifically look at the class of theories formed from the various quotients of the conformal group. Starting with the conformal symmetries of Euclidean space, we construct a manifold where time manifests as a part of the geometry. Though there is no matter present in the geome- try studied here, geometric terms analogous to dark energy and dark matter appear when we write down the Einstein tensor. Specifically, the quotient of the conformal group of Euclidean four-space by its Weyl subgroup results in a geometry possessing many of the properties of relativistic phase space, including both a natural symplectic form and nondegenerate Killing metric. We show the general solution possesses orthogonal Lagrangian submanifolds, with the induced metric and the spin connection on the submanifolds necessarily Lorentzian, despite the Euclidean starting point. By examining the structure equations of the biconformal space in an orthonormal frame adapted to its phase space properties, we also find two new tensor fields exist in this geometry, not present in Riemannian geometry. The first is a combination of the Weyl vector with the scale factor on the metric, and determines the time-like directions on the submanifolds. The second comes from the components of the spin connection, symmetric with respect to the new metric. Though this field comes from the spin connection, it transforms ho- mogeneously. Finally, we show in the absence of Cartan curvature or sources, the configuration space has geometric terms equivalent to a perfect fluid and a cosmological constant. We complete the analysis of this homogeneous space by
Noorlag, Rob; Boeve, Koos; Witjes, Max J H; Koole, Ronald; Peeters, Ton L M; Schuuring, Ed; Willems, Stefan M; van Es, Robert J J
2017-02-01
Accurate nodal staging is pivotal for treatment planning in early (stage I-II) oral cancer. Unfortunately, current imaging modalities lack sensitivity to detect occult nodal metastases. Chromosomal region 11q13, including genes CCND1, Fas-associated death domain (FADD), and CTTN, is often amplified in oral cancer with nodal metastases. However, evidence in predicting occult nodal metastases is limited. In 158 patients with early tongue and floor of mouth (FOM) squamous cell carcinomas, both CCND1 amplification and cyclin D1, FADD, and cortactin protein expression were correlated with occult nodal metastases. CCND1 amplification and cyclin D1 expression correlated with occult nodal metastases. Cyclin D1 expression was validated in an independent multicenter cohort, confirming the correlation with occult nodal metastases in early FOM cancers. Cyclin D1 is a predictive biomarker for occult nodal metastases in early FOM cancers. Prospective research on biopsy material should confirm these results before implementing its use in routine clinical practice. © 2016 Wiley Periodicals, Inc. Head Neck 39: 326-333, 2017. © 2016 Wiley Periodicals, Inc.
Recursion Relations for Conformal Blocks
Penedones, João; Yamazaki, Masahito
2016-09-12
In the context of conformal field theories in general space-time dimension, we find all the possible singularities of the conformal blocks as functions of the scaling dimension $\\Delta$ of the exchanged operator. In particular, we argue, using representation theory of parabolic Verma modules, that in odd spacetime dimension the singularities are only simple poles. We discuss how to use this information to write recursion relations that determine the conformal blocks. We first recover the recursion relation introduced in 1307.6856 for conformal blocks of external scalar operators. We then generalize this recursion relation for the conformal blocks associated to the four point function of three scalar and one vector operator. Finally we specialize to the case in which the vector operator is a conserved current.
Projectors, shadows, and conformal blocks
Energy Technology Data Exchange (ETDEWEB)
Simmons-Duffin, David [Jefferson Physical Laboratory, Harvard University,Cambridge, MA 02138 (United States)
2014-04-24
We introduce a method for computing conformal blocks of operators in arbitrary Lorentz representations in any spacetime dimension, making it possible to apply bootstrap techniques to operators with spin. The key idea is to implement the “shadow formalism' of Ferrara, Gatto, Grillo, and Parisi in a setting where conformal invariance is manifest. Conformal blocks in d-dimensions can be expressed as integrals over the projective null-cone in the “embedding space' ℝ{sup d+1,1}. Taking care with their analytic structure, these integrals can be evaluated in great generality, reducing the computation of conformal blocks to a bookkeeping exercise. To facilitate calculations in four-dimensional CFTs, we introduce techniques for writing down conformally-invariant correlators using auxiliary twistor variables, and demonstrate their use in some simple examples.
Conformal solids and holography
Esposito, A.; Garcia-Saenz, S.; Nicolis, A.; Penco, R.
2017-12-01
We argue that a SO( d) magnetic monopole in an asymptotically AdS space-time is dual to a d-dimensional strongly coupled system in a solid state. In light of this, it would be remiss of us not to dub such a field configuration solidon. In the presence of mixed boundary conditions, a solidon spontaneously breaks translations (among many other symmetries) and gives rise to Goldstone excitations on the boundary — the phonons of the solid. We derive the quadratic action for the boundary phonons in the probe limit and show that, when the mixed boundary conditions preserve conformal symmetry, the longitudinal and transverse sound speeds are related to each other as expected from effective field theory arguments. We then include backreaction and calculate the free energy of the solidon for a particular choice of mixed boundary conditions, corresponding to a relevant multi-trace deformation of the boundary theory. We find such free energy to be lower than that of thermal AdS. This suggests that our solidon undergoes a solid-to-liquid first order phase transition by melting into a Schwarzschild-AdS black hole as the temperature is raised.
Imaging of conformational changes
Energy Technology Data Exchange (ETDEWEB)
Michl, Josef [Univ. of Colorado, Boulder, CO (United States)
2016-03-13
Control of intramolecular conformational change in a small number of molecules or even a single one by an application of an outside electric field defined by potentials on nearby metal or dielectric surfaces has potential applications in both 3-D and 2-D nanotechnology. Specifically, the synthesis, characterization, and understanding of designed solids with controlled built-in internal rotational motion of a dipole promises a new class of materials with intrinsic dielectric, ferroelectric, optical and optoelectronic properties not found in nature. Controlled rotational motion is of great interest due to its expected utility in phenomena as diverse as transport, current flow in molecular junctions, diffusion in microfluidic channels, and rotary motion in molecular machines. A direct time-resolved observation of the dynamics of motion on ps or ns time scale in a single molecule would be highly interesting but is also very difficult and has yet to be accomplished. Much can be learned from an easier but still challenging comparison of directly observed initial and final orientational states of a single molecule, which is the basis of this project. The project also impacts the understanding of surface-enhanced Raman spectroscopy (SERS) and single-molecule spectroscopic detection, as well as the synthesis of solid-state materials with tailored properties from designed precursors.
Intensity modulated conformal radiotherapy
International Nuclear Information System (INIS)
Noel, Georges; Moty-Monnereau, Celine; Meyer, Aurelia; David, Pauline; Pages, Frederique; Muller, Felix; Lee-Robin, Sun Hae; David, Denis Jean
2006-12-01
This publication reports the assessment of intensity-modulated conformal radiotherapy (IMCR). This assessment is based on a literature survey which focussed on indications, efficiency and safety on the short term, on the risk of radio-induced cancer on the long term, on the role in the therapeutic strategy, on the conditions of execution, on the impact on morbidity-mortality and life quality, on the impact on the health system and on public health policies and program. This assessment is also based on the opinion of a group of experts regarding the technical benefit of IMCR, its indications depending on the cancer type, safety in terms of radio-induced cancers, and conditions of execution. Before this assessment, the report thus indicates indications for which the use of IMCR can be considered as sufficient or not determined. It also proposes a technical description of IMCR and helical tomo-therapy, discusses the use of this technique for various pathologies or tumours, analyses the present situation of care in France, and comments the identification of this technique in foreign classifications
Conformational states of the full-length glucagon receptor
Yang, Linlin; Yang, Dehua; de Graaf, Chris; Moeller, Arne; West, Graham M.; Dharmarajan, Venkatasubramanian; Wang, Chong; Siu, Fai Y.; Song, Gaojie; Reedtz-Runge, Steffen; Pascal, Bruce D.; Wu, Beili; Potter, Clinton S.; Zhou, Hu; Griffin, Patrick R.; Carragher, Bridget; Yang, Huaiyu; Wang, Ming-Wei; Stevens, Raymond C.; Jiang, Hualiang
2015-07-01
Class B G protein-coupled receptors are composed of an extracellular domain (ECD) and a seven-transmembrane (7TM) domain, and their signalling is regulated by peptide hormones. Using a hybrid structural biology approach together with the ECD and 7TM domain crystal structures of the glucagon receptor (GCGR), we examine the relationship between full-length receptor conformation and peptide ligand binding. Molecular dynamics (MD) and disulfide crosslinking studies suggest that apo-GCGR can adopt both an open and closed conformation associated with extensive contacts between the ECD and 7TM domain. The electron microscopy (EM) map of the full-length GCGR shows how a monoclonal antibody stabilizes the ECD and 7TM domain in an elongated conformation. Hydrogen/deuterium exchange (HDX) studies and MD simulations indicate that an open conformation is also stabilized by peptide ligand binding. The combined studies reveal the open/closed states of GCGR and suggest that glucagon binds to GCGR by a conformational selection mechanism.
Gonzalez, Alexandra B; Jakub, James W; Harmsen, William S; Suman, Vera J; Markovic, Svetomir N
2016-07-01
The role of SLNB for in-transit (IT) melanoma is controversial. The objective of this study was to determine the rate and prognostic significance of occult nodal disease in patients undergoing surgical nodal staging for IT disease. We conducted a retrospective review of patients with IT melanoma from May 2005 through September 2014. Analysis was limited to patients with a first-time IT event who underwent surgical excision. Associations between clinicopathologic characteristics, patterns of recurrence, and survival were analyzed. A total of 261 patients treated at our center were identified and 157 met inclusion criteria, of which 135 (86%) presented with no evidence of nodal disease. At the time of surgical excision of the IT lesion, 80 (58%) clinically node-negative patients underwent observation of the nodal basin and 55 (41%) surgical nodal staging. Twenty (36%) clinically node-negative but surgically staged patients were found to have nodal disease. Distant metastasis-free survival was 70.8 months for surgically staged node-negative patients, 19.2 months for surgically staged node-positive patients, 22.8 months for those staged node-negative by clinical examination only and 4.8 months for those with clinical nodal disease (p = 0.01). The regional nodal basin was the first site of failure in 14 of 66 (21%) clinically staged patients, 5 of 50 (10%) for those surgically staged, and 6 of 16 (38%) for those with clinical nodal disease. Patients with IT disease are at high risk for occult nodal metastasis. Because clinical staging is unreliable, SLNB should be considered. For patients with IT recurrence, the status of the regional basin is strongly prognostic and stratifies patients into low-, intermediate-, and high-risk groups. Copyright © 2016 American College of Surgeons. Published by Elsevier Inc. All rights reserved.
Lee, Jonathan J; Granter, Scott R; Laga, Alvaro C; Saavedra, Arturo P; Zhan, Qian; Guo, Weimin; Xu, Shuyun; Murphy, George F; Lian, Christine G
2015-02-01
Sentinel lymph node biopsies are conducted to stage patients with newly diagnosed melanomas that have histopathological attributes conferring defined levels of metastatic potential. Because benign nevic cells may also form 'deposits' in lymph nodes (nodal nevus), the pathological evaluation for metastatic melanoma within sentinel lymph nodes can be challenging. Twenty-eight sentinel lymph node biopsy cases containing either metastatic melanoma (N=18) or nodal nevi (N=10) were retrieved from the archives of the Brigham and Women's Hospital, Department of Pathology (2011-2014). In addition, two sentinel lymph node cases that were favored to represent metastatic disease but whose histopathological features were viewed as equivocal, with melanoma favored, were also included. Dual labeling for the melanocyte lineage marker, MART-1, and the epigenetic marker, 5-hydroxymethylcytosine, a functionally significant indicator that has been shown to distinguish benign nevi from melanoma, was performed on all cases using immunohistochemistry and/or direct immunofluorescence. All (18 of 18) metastatic melanoma cases showed complete loss of 5-hydroxymethylcytosine nuclear staining in MART-1-positive cells, and all (10 of 10) nodal nevus cases demonstrated 5-hydroxymethylcytosine nuclear staining in MART-1-positive cells. In addition, 5-hydroxymethylcytosine staining confirmed the favored diagnoses of metastatic melanoma in the two 'equivocal' cases. Thus, 5-hydroxymethylcytosine may be a useful adjunctive marker to distinguish between benign nodal nevi and metastatic melanoma during the evaluation of sentinel lymph node biopsies for metastatic melanoma.
DEFF Research Database (Denmark)
Ramlov, Anne; Assenholt, Marianne S; Jensen, Maria F
2017-01-01
PURPOSE: To implement coverage probability (CovP) for dose planning of simultaneous integrated boost (SIB) of pathologic lymph nodes in locally advanced cervical cancer (LACC). MATERIAL AND METHODS: CovP constraints for SIB of the pathological nodal target (PTV-N) with a central dose peak...
Analysis of nodal aberration properties in off-axis freeform system design.
Shi, Haodong; Jiang, Huilin; Zhang, Xin; Wang, Chao; Liu, Tao
2016-08-20
Freeform surfaces have the advantage of balancing off-axis aberration. In this paper, based on the framework of nodal aberration theory (NAT) applied to the coaxial system, the third-order astigmatism and coma wave aberration expressions of an off-axis system with Zernike polynomial surfaces are derived. The relationship between the off-axis and surface shape acting on the nodal distributions is revealed. The nodal aberration properties of the off-axis freeform system are analyzed and validated by using full-field displays (FFDs). It has been demonstrated that adding Zernike terms, up to nine, to the off-axis system modifies the nodal locations, but the field dependence of the third-order aberration does not change. On this basis, an off-axis two-mirror freeform system with 500 mm effective focal length (EFL) and 300 mm entrance pupil diameter (EPD) working in long-wave infrared is designed. The field constant aberrations induced by surface tilting are corrected by selecting specific Zernike terms. The design results show that the nodes of third-order astigmatism and coma move back into the field of view (FOV). The modulation transfer function (MTF) curves are above 0.4 at 20 line pairs per millimeter (lp/mm) which meets the infrared reconnaissance requirement. This work provides essential insight and guidance for aberration correction in off-axis freeform system design.
Unbounded planar domains whose second nodal line does not touch the boundary
Czech Academy of Sciences Publication Activity Database
Freitas, P.; Krejčiřík, David
2007-01-01
Roč. 14, č. 1 (2007), s. 107-111 ISSN 1073-2780 R&D Projects: GA MŠk LC06002 Institutional research plan: CEZ:AV0Z10480505 Keywords : Dirichlet Laplacian * eigenfunctions * nodal line Subject RIV: BA - General Mathematics Impact factor: 0.702, year: 2007
Bifurcation from infinity and nodal solutions of quasilinear elliptic differential equations
Directory of Open Access Journals (Sweden)
Bian-Xia Yang
2014-01-01
Full Text Available In this article, we establish a unilateral global bifurcation theorem from infinity for a class of $N$-dimensional p-Laplacian problems. As an application, we study the global behavior of the components of nodal solutions of the problem $$\\displaylines{ \\operatorname{div}(\\varphi_p(\
The Nodal signaling pathway controls left-right asymmetric development in amphioxus
Czech Academy of Sciences Publication Activity Database
Soukup, Vladimír; Yong, L.W.; Lu, T.M.; Huang, S.W.; Kozmik, Zbyněk; Yu, J.K.
2015-01-01
Roč. 6, Feb 17 (2015) ISSN 2041-9139 R&D Projects: GA ČR(CZ) GP14-20839P; GA MŠk LH12047 Institutional support: RVO:68378050 Keywords : Nodal signaling * Amphioxus * Left-right asymmetry * Mouth opening * Embryonic development Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 3.177, year: 2015
Error quantification of the axial nodal diffusion kernel of the DeCART code
International Nuclear Information System (INIS)
Cho, J. Y.; Kim, K. S.; Lee, C. C.
2006-01-01
This paper is to quantify the transport effects involved in the axial nodal diffusion kernel of the DeCART code. The transport effects are itemized into three effects, the homogenization, the diffusion, and the nodal effects. A five pin model consisting of four fuel pins and one non-fuel pin is demonstrated to quantify the transport effects. The transport effects are analyzed for three problems, the single pin (SP), guide tube (GT) and control rod (CR) problems by replacing the non-fuel pin with the fuel pin, a guide-tube and a control rod pins, respectively. The homogenization and diffusion effects are estimated to be about -4 and -50 pcm for the eigenvalue, and less than 2 % for the node power. The nodal effect on the eigenvalue is evaluated to be about -50 pcm in the SP and GT problems, and +350 pcm in the CR problem. Regarding the node power, this effect induces about a 3 % error in the SP and GT problems, and about a 20 % error in the CR problem. The large power error in the CR problem is due to the plane thickness, and it can be decreased by using the adaptive plane size. From the error quantification, it is concluded that the homogenization and the diffusion effects are not controllable if DeCART maintains the diffusion kernel for the axial solution, but the nodal effect is controllable by introducing the adaptive plane size scheme. (authors)
Three higher order analytical nodal methods for multigroup neutron diffusion equations
International Nuclear Information System (INIS)
Guessous, Najib
2016-01-01
Highlights: • The highlight is to demonstrate efficiency of the three nodal methods developed in this work: PCANM-2, FANM-2 and RFANM-2. • It is proved that the third method is more competitive than the two others methods. • It is demonstrated that RFANM-2 can give very accurate results compared to others nodal methods from published works. - Abstract: This work presents three efficient higher order analytical nodal methods for the numerical solution of a two-dimensional multigroup neutron diffusion equation in Cartesian geometry based on the use of the successive polynomial-weighted transverse integrations technique to convert a one-group diffusion equation to a system of coupled one-dimensional ordinary differential equations. These equations are then solved analytically over each homogenized cell after adequate approximations of the resulting effective sources after transversal integrations. Coupling between the approximate transverse flux-moments is achieved by imposing uniqueness constraint on their moments values. Adjacent elements are coupled by enforcing continuity conditions on the flux and current moments at interfaces cells. The weighted cell-balance equations and current-continuity conditions are then used to derive the discrete equations. These methods are applied for solving numerically various 2D benchmark problems and theirs performances discussed. Numerical results demonstrates more efficiency for the third higher order analytical nodal method for which the alone unknowns considered are the transverse flux moments on the interfaces of the homogenized elements.
Nodal-line entanglement entropy: Generalized Widom formula from entanglement Hamiltonians
Pretko, Michael
2017-06-01
A system of fermions forming a Fermi surface exhibits a large degree of quantum entanglement, even in the absence of interactions. In particular, the usual case of a codimension one Fermi surface leads to a logarithmic violation of the area law for entanglement entropy as dictated by the Widom formula. We here generalize this formula to the case of arbitrary codimension, which is of particular interest for nodal lines in three dimensions. We first re-derive the standard Widom formula by calculating an entanglement Hamiltonian for Fermi-surface systems, obtained by repurposing a trick commonly applied to relativistic theories. The entanglement Hamiltonian will take a local form in terms of a low-energy patch theory for the Fermi surface, although it is nonlocal with respect to the microscopic fermions. This entanglement Hamiltonian can then be used to derive the entanglement entropy, yielding a result in agreement with the Widom formula. The method is then generalized to arbitrary codimension. For nodal lines, the area law is obeyed, and the magnitude of the coefficient for a particular partition is nonuniversal. However, the coefficient has a universal dependence on the shape and orientation of the nodal line relative to the partitioning surface. By comparing the relative magnitude of the area law for different partitioning cuts, entanglement entropy can be used as a tool for diagnosing the presence and shape of a nodal line in a ground-state wave function.
Grootendorst, Diederik; Fratila, R.M.; Visscher, M.; ten Haken, Bernard; van Wezel, Richard Jack Anton; Steenbergen, Wiendelt; Manohar, Srirang; Ruers, Theo J.M.; Oraevsky, Alexander A.; Wang, Lihong V.
2013-01-01
Detection of tumor metastases in the lymphatic system is essential for accurate staging of various malignancies, however fast, accurate and cost-effective intra-operative evaluation of the nodal status remains difficult to perform with common available medical imaging techniques. In recent years,
Computation of Steady State Nodal Voltages for Fast Security Assessment in Power Systems
DEFF Research Database (Denmark)
Møller, Jakob Glarbo; Jóhannsson, Hjörtur; Østergaard, Jacob
2014-01-01
Development of a method for real-time assess-ment of post-contingency nodal voltages is introduced. Linear network theory is applied in an algorithm that utilizes Thevenin equivalent representation of power systems as seen from every voltage-controlled node in a network. The method is evaluated...
Influence of asymmetry and nodal structures on high-harmonic generation in heteronuclear molecules
Energy Technology Data Exchange (ETDEWEB)
Augstein, B B; Figueira De Morisson Faria, C [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)
2011-03-14
The relation between high-harmonic spectra and the geometry of the molecular orbital in position and momentum space is investigated. In particular we choose two isoelectronic pairs of homonuclear and heteronuclear molecules, such that the highest occupied molecular orbital of the former exhibits at least one nodal plane. The imprint of such planes is a strong suppression in the harmonic spectra, for particular alignment angles. We are able to identify two distinct types of nodal structures. If, for homonuclear molecules, the nodal planes are determined by the atomic wavefunctions only, the angle for which the yield is suppressed will remain the same for both types of molecules. In contrast, if they are determined by the linear combination of atomic orbitals at different centers of the molecule, there will be a shift in the angle at which the suppression occurs and a distortion in the nodal structure for the heteronuclear molecule, with respect to its homonuclear counterpart. This shows that, in principle, molecular imaging, in which a homonuclear molecule is used as a reference while observing the wavefunction distortions in its heteronuclear counterpart, is possible.
Theory of nodal s ± -wave pairing symmetry in the Pu-based 115 superconductor family.
Das, Tanmoy; Zhu, Jian-Xin; Graf, Matthias J
2015-02-27
The spin-fluctuation mechanism of superconductivity usually results in the presence of gapless or nodal quasiparticle states in the excitation spectrum. Nodal quasiparticle states are well established in copper-oxide, and heavy-fermion superconductors, but not in iron-based superconductors. Here, we study the pairing symmetry and mechanism of a new class of plutonium-based high-Tc superconductors and predict the presence of a nodal s(±) wave pairing symmetry in this family. Starting from a density-functional theory (DFT) based electronic structure calculation we predict several three-dimensional (3D) Fermi surfaces in this 115 superconductor family. We identify the dominant Fermi surface "hot-spots" in the inter-band scattering channel, which are aligned along the wavevector Q = (π, π, π), where degeneracy could induce sign-reversal of the pairing symmetry. Our calculation demonstrates that the s(±) wave pairing strength is stronger than the previously thought d-wave pairing; and more importantly, this pairing state allows for the existence of nodal quasiparticles. Finally, we predict the shape of the momentum- and energy-dependent magnetic resonance spectrum for the identification of this pairing symmetry.
Vector bundles with a fixed determinant on an irreducible nodal curve
Indian Academy of Sciences (India)
Using the correspondence between GPBs on and torsion-free sheaves on a nodal curve of which is a desingularization, we show that M L ¯ can be regarded as the compactified moduli scheme of vector bundles on with fixed determinant. We get a natural scheme structure on the closure of the subset consisting of ...
Vector bundles with a fixed determinant on an irreducible nodal curve
Indian Academy of Sciences (India)
sheaves with a fixed determinant in the moduli space of torsion-free sheaves on Y. The relation to Seshadri–Nagaraj conjecture is studied. Keywords. Nodal curves; torsion-free sheaves; fixed determinant. 1. Introduction. Generalized parabolic vector bundles (GPBs) on a smooth curve X are vector bundles on. X together ...
Katritsis, Demosthenes G.; Ellenbogen, Kenneth A.; Becker, Anton E.
2006-01-01
Detailed right and left septal mapping of retrograde atrial activation during typical atrioventricular nodal reentrant tachycardia (AVNRT) has not been undertaken and may provide insight into the complex physiology of AVNRT, especially the anatomic localization of the fast and slow pathways. The
An SIS model for cultural trait transmission with conformity bias.
Walters, Caroline E; Kendal, Jeremy R
2013-12-01
Epidemiological models have been applied to human health-related behaviors that are affected by social interaction. Typically these models have not considered conformity bias, that is, the exaggerated propensity to adopt commonly observed behaviors or opinions, or content biases, where the content of the learned trait affects the probability of adoption. Here we consider an interaction of these two effects, presenting an SIS-type model for the spread and persistence of a behavior which is transmitted via social learning. Uptake is controlled by a nonlinear dependence on the proportion of individuals demonstrating the behavior in a population. Three equilibrium solutions are found, their linear stability is analyzed and the results are compared with a model for unbiased social learning. Our analysis focuses on the effects of the strength of conformity bias and the effects of content biases which alter a conformity threshold frequency of the behavior, above which there is an exaggerated propensity for adoption. The strength of the conformity bias is found to qualitatively alter the predictions regarding whether the trait becomes endemic within the population and the proportion of individuals who display the trait when it is endemic. As the conformity strength increases, the number of feasible equilibrium solutions increases from two to three, leading to a situation where the stable equilibrium attained is dependent upon the initial state. Varying the conformity threshold frequency directionally alters the behavior invasion threshold. Finally we discuss the possible application of this model to binge drinking behavior. Copyright © 2013 Elsevier Inc. All rights reserved.
Probing of different conformations of piperazine using Raman spectroscopy
Energy Technology Data Exchange (ETDEWEB)
SenGupta, Sumana, E-mail: sumansg@barc.gov.in; Maiti, Nandita, E-mail: nanbis@gmail.com; Chadha, Ridhima; Kapoor, Sudhir
2014-06-03
Graphical abstract: - Highlights: • Most stable conformation of piperazine molecule is equatorial–equatorial chair form. • Equatorial–equatorial chair form is predominant in pure solid. • Strongly dipolar equatorial–axial form is most stabilized in aqueous solution. • Equatorial–axial form vertically binds to Ag/Ag{sup +} through axial N-atom. - Abstract: Piperazine exists in a number of energetically close structural conformations, and here, we investigated the dependence of their relative abundance on the surrounding conditions by using Raman and SERS spectroscopy in pure solid, aqueous solution and Ag hydrosol. The experimental results were interpreted by DFT calculations using B3LYP functional with aug-cc-pvdz/LANL2DZ basis sets. In the chair form of piperazine, which is more stable than the skewed boat by ∼8 kcal mol{sup −1}, the two N–H bonds can remain equatorial or axial, leading to three different conformations, eq–eq, eq–ax and ax–ax. The calculated Raman spectrum of the lowest energy eq–eq conformation corresponds well with the experimental spectrum in pure solid, indicating eq–eq to be predominant. But, the contribution of the eq–ax conformation was found to be maximum in aqueous solution. The SERS spectrum revealed that eq–ax conformation was preferably adopted as piperazine was adsorbed vertically through its axial N-atom over silver nanoparticle surface.
Influence of Crystal Packing on Global Protein Conformation
Ahlstrom, Logan; Miyashita, Osamu
2011-10-01
X-ray crystallography is the most robust method for solving protein structure. However, packing forces in the crystal lattice select just a snapshot of a protein's conformational ensemble, whereas proteins are flexible and can adopt different conformations. Here we compare molecular dynamics (MD) simulations in solution and the crystal lattice to add dynamical insight to the static X-ray images of proteins. As a model system, we consider the λ Cro dimer, whose solved X-ray structures range from a ``closed'' to an ``open'' global conformation. Free energy profiles depicting the conformational space sampled by the dimer in solution show some reported structures correspond to stable states. Yet other conformations, while accessible, lie higher in energy, indicating the effect of crystal packing. Subsequent crystal MD simulations estimated the strength of packing interfaces in the lattice, showing the influence of crystal form and mutation in stabilizing different dimer conformations. Our quantitative results will aid analysis of X-ray data in establishing protein structure-function relationships.
Benchmarking Commercial Conformer Ensemble Generators.
Friedrich, Nils-Ole; de Bruyn Kops, Christina; Flachsenberg, Florian; Sommer, Kai; Rarey, Matthias; Kirchmair, Johannes
2017-11-27
We assess and compare the performance of eight commercial conformer ensemble generators (ConfGen, ConfGenX, cxcalc, iCon, MOE LowModeMD, MOE Stochastic, MOE Conformation Import, and OMEGA) and one leading free algorithm, the distance geometry algorithm implemented in RDKit. The comparative study is based on a new version of the Platinum Diverse Dataset, a high-quality benchmarking dataset of 2859 protein-bound ligand conformations extracted from the PDB. Differences in the performance of commercial algorithms are much smaller than those observed for free algorithms in our previous study (J. Chem. Inf. 2017, 57, 529-539). For commercial algorithms, the median minimum root-mean-square deviations measured between protein-bound ligand conformations and ensembles of a maximum of 250 conformers are between 0.46 and 0.61 Å. Commercial conformer ensemble generators are characterized by their high robustness, with at least 99% of all input molecules successfully processed and few or even no substantial geometrical errors detectable in their output conformations. The RDKit distance geometry algorithm (with minimization enabled) appears to be a good free alternative since its performance is comparable to that of the midranked commercial algorithms. Based on a statistical analysis, we elaborate on which algorithms to use and how to parametrize them for best performance in different application scenarios.
VALIDATION OF FULL CORE GEOMETRY MODEL OF THE NODAL3 CODE IN THE PWR TRANSIENT BENCHMARK PROBLEMS
Directory of Open Access Journals (Sweden)
Tagor Malem Sembiring
2015-10-01
Full Text Available ABSTRACT VALIDATION OF FULL CORE GEOMETRY MODEL OF THE NODAL3 CODE IN THE PWR TRANSIENT BENCHMARK PROBLEMS. The coupled neutronic and thermal-hydraulic (T/H code, NODAL3 code, has been validated in some PWR static benchmark and the NEACRP PWR transient benchmark cases. However, the NODAL3 code have not yet validated in the transient benchmark cases of a control rod assembly (CR ejection at peripheral core using a full core geometry model, the C1 and C2 cases. By this research work, the accuracy of the NODAL3 code for one CR ejection or the unsymmetrical group of CRs ejection case can be validated. The calculations by the NODAL3 code have been carried out by the adiabatic method (AM and the improved quasistatic method (IQS. All calculated transient parameters by the NODAL3 code were compared with the reference results by the PANTHER code. The maximum relative difference of 16% occurs in the calculated time of power maximum parameter by using the IQS method, while the relative difference of the AM method is 4% for C2 case. All calculation results by the NODAL3 code shows there is no systematic difference, it means the neutronic and T/H modules are adopted in the code are considered correct. Therefore, all calculation results by using the NODAL3 code are very good agreement with the reference results. Keywords: nodal method, coupled neutronic and thermal-hydraulic code, PWR, transient case, control rod ejection. ABSTRAK VALIDASI MODEL GEOMETRI TERAS PENUH PAKET PROGRAM NODAL3 DALAM PROBLEM BENCHMARK GAYUT WAKTU PWR. Paket program kopel neutronik dan termohidraulika (T/H, NODAL3, telah divalidasi dengan beberapa kasus benchmark statis PWR dan kasus benchmark gayut waktu PWR NEACRP. Akan tetapi, paket program NODAL3 belum divalidasi dalam kasus benchmark gayut waktu akibat penarikan sebuah perangkat batang kendali (CR di tepi teras menggunakan model geometri teras penuh, yaitu kasus C1 dan C2. Dengan penelitian ini, akurasi paket program
Conformal Lorentz geometry revisited
Teleman, Kostake
1996-02-01
The group U(2,2) and its subgroup SU(2,2) were considered by Penrose in his study of the conformal compactification M of the Minkowski space M [R. Penrose and W. Rindler, Spinors and Space-Time (Cambridge University, Cambridge, 1986) and R. O. Wells, Jr., Bull. Am. Math. Soc. I, 2 (1979)]. The standard representation of SU(2,2) in C4 and in M are the corner stones of twistor theory, which was created by Penrose to the double purpose of obtaining new solutions of Einstein equations and new insights on gravitational radiation. We think that other representations of SU(2,2) or U(2,2) could also bring some information in relativity [see also, Barut O. Asjim, in Noncompact Lie Groups and some of their Applications, edited by E. A. Tanner and R. Wilson (Kluwer Academic, Dordrecht, 1994), p. 103] and, accordingly, we propose an extension of Penrose twistor program. In this paper we deal with a new U(2,2)-space, which we denote by W. We show first that the SU(2,2)-space M introduced by Penrose is isomorphic to U(2), endowed with an action of SU(2,2) given by non-Abelian homographic transformations. These transformations keep invariant the equation det(u-v)=0, characterizing the pairs (u,v)∈U(2)×U(2) such that ``u lies on the light-cone of v.'' By definition, our space W consists of all pairs (u,v)∈U(2)×U(2) satisfying the condition det(u-v)≠0. The starting point of this article is the observation that W carries an SU(2,2)-invariant pseudo-Riemannian metric L:=Tr[(u-v)-1u˙ ×(u-v)-1v˙], of signature (4,4). (W,L) is in fact an irreducible symmetric space in Cartan's sense, which is isomorphic to the quotient SO(2,4)/S[O(1,1)×O(1,3)]. As an irreducible symmetric space, it is an 8-dimensional Einstein space, whose Ricci tensor is proportional to the metric tensor. We study the geodesic paths of this space giving the general solutions in terms of initial data and studying the constants of motion. In particular we determine the geodesic paths which exhibit two periods
Role of CT/PET in predicting nodal disease in head and neck cancers
International Nuclear Information System (INIS)
Singham, S.; Iyer, G.; Clark, J.
2009-01-01
Full text:Introduction: Pre-treatment evaluation of the presence of cervical nodal metastases is important in head and neck cancers and has major prognostic implications. In this study, we aim to determine the accuracy of CT/PET as a tool for identifying such metastases. Methods: All patients from Royal Prince Alfred and Liverpool Hospitals, who underwent CT/PET for any cancer arising from the head and neck, and who underwent subsequent surgery (which included a neck dissection) within 8 weeks of the CT/PET were included. Nodal staging was undertaken by utilising imaging-based nodal classification, and comparison with pathologic data from the surgical specimen was made. PET was considered positive if the SUV was greater than 2. Results: We identified 111 patients from the above criteria. 80 of such patients were treated for squamous cell carcinoma (SCC). CT/PET identified unsuspected metastatic disease in 6 patients. Correlation of CT/PET findings and the presence of disease at the primary site: sensitivity: 98%, specificity: 93%, positive predictive value (PPV): 98% and negative predictive value (NPV): 93%. Correlating CT/PET findings with the presence of nodal disease at any level: sensitivity: 95%, specificity: 88%, PPV: 95% and NPV: 88%. CT/PET was anatomically accurate in predicting the site of metastases in 62/74 (84%). Conclusion: PET is accurate in predicting both presence of nodal metastases and the level of involvement. CT/PET should be undertaken as a pre-operative tool to assist in planning the extent of surgery required in head and neck cancers.
Primary extra nodal non Hodgkin lymphoma: a 5 year retrospective analysis.
Padhi, Somanath; Paul, Tara Roshni; Challa, Sundaram; Prayaga, Aruna K; Rajappa, Senthil; Raghunadharao, D; Sarangi, Rajlaxmi
2012-01-01
The incidence of extra nodal non Hodgkin lymphoma (ENL) is rising throughout the world. However, data regarding ENL as a group is limited. The aim was to study the epidemiological and histomorphological trends of primary ENL (pENL) in India. The biopsy materials from sixty eight patients with pENL (45 male, 23 female, M:F= 1.9:1), diagnosed over a five year period (2005-2009), were analysed and pathologically reclassified according to the World Health Organization (WHO) classification, 2008 criteria. Primary extra nodal non Hodgkin lymphomas constituted 22.0% (68/308) of all non Hodgkin lymphomas (NHL). The mean age at presentation for pENL and primary nodal NHL was 43 years and 58 years, respectively with a male predilection (M: F=2:1). Central nervous system (CNS) constituted the most common extranodal site (20/68, 29.5%) followed by gastrointestinal tract (17/68, 25%), and nose/nasopharynx (8/68, 11.8%). Diffuse large B-cell lymphoma (DLBCL, not otherwise specified), extranodal marginal lymphoma of mucosa associated lymphoid tissue (MALT) type, and B cell NHL unclassified (U) were the three most common histological types observed. T-cell phenotype was rarely noted (4%). Follicular lymphomas and anaplastic large cell lymphoma, seen among nodal NHL, were absent at extra nodal sites. Majority (41/68, 60%) of the patients with pENL were immunocompetent and 55% were in stage I-II with favorable prognosis. Central nervous system was the most common site of ENL, followed by gastrointestinal tract. Majority of pENL occurred in immunocompetent hosts with a favorable prognosis.
International Nuclear Information System (INIS)
Poursalehi, N.; Zolfaghari, A.; Minuchehr, A.
2013-01-01
Highlights: ► A new adaptive h-refinement approach has been developed for a class of nodal method. ► The resulting system of nodal equations is more amenable to efficient numerical solution. ► The benefit of the approach is reducing computational efforts relative to the uniform fine mesh modeling. ► Spatially adaptive approach greatly enhances the accuracy of the solution. - Abstract: The aim of this work is to develop a spatially adaptive coarse mesh strategy that progressively refines the nodes in appropriate regions of domain to solve the neutron balance equation by zeroth order nodal expansion method. A flux gradient based a posteriori estimation scheme has been utilized for checking the approximate solutions for various nodes. The relative surface net leakage of nodes has been considered as an assessment criterion. In this approach, the core module is called in by adaptive mesh generator to determine gradients of node surfaces flux to explore the possibility of node refinements in appropriate regions and directions of the problem. The benefit of the approach is reducing computational efforts relative to the uniform fine mesh modeling. For this purpose, a computer program ANRNE-2D, Adaptive Node Refinement Nodal Expansion, has been developed to solve neutron diffusion equation using average current nodal expansion method for 2D rectangular geometries. Implementing the adaptive algorithm confirms its superiority in enhancing the accuracy of the solution without using fine nodes throughout the domain and increasing the number of unknown solution. Some well-known benchmarks have been investigated and improvements are reported
An approach to model reactor core nodalization for deterministic safety analysis
Energy Technology Data Exchange (ETDEWEB)
Salim, Mohd Faiz, E-mail: mohdfaizs@tnb.com.my; Samsudin, Mohd Rafie, E-mail: rafies@tnb.com.my [Nuclear Energy Department, Regulatory Economics & Planning Division, Tenaga Nasional Berhad (Malaysia); Mamat Ibrahim, Mohd Rizal, E-mail: m-rizal@nuclearmalaysia.gov.my [Prototypes & Plant Development Center, Malaysian Nuclear Agency (Malaysia); Roslan, Ridha, E-mail: ridha@aelb.gov.my; Sadri, Abd Aziz [Nuclear Installation Divisions, Atomic Energy Licensing Board (Malaysia); Farid, Mohd Fairus Abd [Reactor Technology Center, Malaysian Nuclear Agency (Malaysia)
2016-01-22
Adopting good nodalization strategy is essential to produce an accurate and high quality input model for Deterministic Safety Analysis (DSA) using System Thermal-Hydraulic (SYS-TH) computer code. The purpose of such analysis is to demonstrate the compliance against regulatory requirements and to verify the behavior of the reactor during normal and accident conditions as it was originally designed. Numerous studies in the past have been devoted to the development of the nodalization strategy for small research reactor (e.g. 250kW) up to the bigger research reactor (e.g. 30MW). As such, this paper aims to discuss the state-of-arts thermal hydraulics channel to be employed in the nodalization for RTP-TRIGA Research Reactor specifically for the reactor core. At present, the required thermal-hydraulic parameters for reactor core, such as core geometrical data (length, coolant flow area, hydraulic diameters, and axial power profile) and material properties (including the UZrH{sub 1.6}, stainless steel clad, graphite reflector) have been collected, analyzed and consolidated in the Reference Database of RTP using standardized methodology, mainly derived from the available technical documentations. Based on the available information in the database, assumptions made on the nodalization approach and calculations performed will be discussed and presented. The development and identification of the thermal hydraulics channel for the reactor core will be implemented during the SYS-TH calculation using RELAP5-3D{sup ®} computer code. This activity presented in this paper is part of the development of overall nodalization description for RTP-TRIGA Research Reactor under the IAEA Norwegian Extra-Budgetary Programme (NOKEBP) mentoring project on Expertise Development through the Analysis of Reactor Thermal-Hydraulics for Malaysia, denoted as EARTH-M.
Application of nonlinear nodal diffusion method for a small research reactor
International Nuclear Information System (INIS)
Jaradat, Mustafa K.; Alawneh, Luay M.; Park, Chang Je; Lee, Byungchul
2014-01-01
Highlights: • We applied nonlinear unified nodal method for 10 MW IAEA MTR benchmark problem. • TRITION–NEWT system was used to obtain two-group burnup dependent cross sections. • The criticality and power distribution compared with reference (IAEA-TECDOC-233). • Comparison between different fuel materials was conducted. • Satisfactory results were provided using UNM for MTR core calculations. - Abstract: Nodal diffusion methods are usually used for LWR calculations and rarely used for research reactor calculations. A unified nodal method with an implementation of the coarse mesh finite difference acceleration was developed for use in plate type research reactor calculations. It was validated for two PWR benchmark problems and then applied for IAEA MTR benchmark problem for static calculations to check the validity and accuracy of the method. This work was conducted to investigate the unified nodal method capability to treat material testing reactor cores. A 10 MW research reactor core is considered with three calculation cases for low enriched uranium fuel depending on the core burnup status of fresh, beginning-of-life, and end-of-life cores. The validation work included criticality calculations, flux distribution, and power distribution; in addition, a comparison between different fuel materials with the same uranium content was conducted. The homogenized two-group cross sections were generated using the TRITON–NEWT system. The results were compared with a reference, which was taken from IAEA-TECDOC-233. The unified nodal method provides satisfactory results for an all-rod out case, and the three-dimensional, two-group diffusion model can be considered accurate enough for MTR core calculations
The impact of nodal tumour burden on lymphoscintigraphic imaging in patients with melanomas
Energy Technology Data Exchange (ETDEWEB)
Kretschmer, Lutz; Bertsch, Hans Peter; Hellriegel, Simin; Thoms, Kai-Martin; Schoen, Michael Peter [Georg August University of Goettingen, Department of Dermatology, Venereology and Allergology, Goettingen (Germany); Bardzik, Pawel; Meller, Johannes; Sahlmann, Carsten Oliver [Georg-August-University of Goettingen, Department of Nuclear Medicine, Goettingen (Germany)
2014-10-15
To retrospectively study the influence of nodal tumour burden on lymphoscintigraphic imaging in 509 consecutive patients with melanomas. Bidirectional lymphatic drainage, the clear depiction of an afferent lymphatic vessel, time to depiction of the first sentinel lymph node (SLN) and number of depicted and excised nodes were recorded. Nodal tumour load was classified as SLN-negative, SLN micrometastases or macrometastases. In the overall population, using multivariate regression analysis, a short SLN depiction time was significantly associated with the depiction of a greater number of radioactive nodes, a short distance between the primary tumour site and the nodal basin, younger age and lower nodal tumour burden. The proportion of patients with clear depiction of an afferent lymphatic vessel depended on the nodal tumour load (46 % in SLN-negative patients, 57 % in SLN positive patients, and 69 % in patients with macrometastases; P = 0.009). Macrometastasis was significantly associated with delayed depiction of the first radioactive node and a greater number of depicted hotspots. In patients with clinically nonsuspicious nodes, i.e. the classical target group for SLN biopsy, clear depiction of an afferent vessel was significantly associated with a higher number of SLNs during dynamic acquisition, SLN micrometastasis and a higher overall number of metastatic lymph nodes after SLN biopsy plus completion lymphadenectomy. The excision of more than two SLNs did not increase the metastasis detection rate. In patients with bidirectional or tridirectional lymphatic drainage, the SLN positivity rates for the first, second and third basin were 25.4 %, 11.7 % and 0.0 %, respectively (P = 0.002). In patients with clinically nonsuspicious lymph nodes, clear depiction of an afferent lymph vessel may be a sign of micrometastasis. Macrometastasis is associated with prominent afferent vessels, delayed depiction of the first radioactive node and a higher number of depicted hotspots
International Nuclear Information System (INIS)
Noh, O Kyu; Lee, Sang-wook; Yoon, Sang Min; Kim, Sung Bae; Kim, Sang Yoon; Kim, Chang Jin; Jo, Kyung Ja; Choi, Eun Kyung; Song, Si Yeol; Kim, Jong Hoon; Ahn, Seung Do
2011-01-01
Purpose: The role of elective nodal irradiation (ENI) in radiotherapy for esthesioneuroblastoma (ENB) has not been clearly defined. We analyzed treatment outcomes of patients with ENB and the frequency of cervical nodal failure in the absence of ENI. Methods and Materials: Between August 1996 and December 2007, we consulted with 19 patients with ENB regarding radiotherapy. Initial treatment consisted of surgery alone in 2 patients; surgery and postoperative radiotherapy in 4; surgery and adjuvant chemotherapy in 1; surgery, postoperative radiotherapy, and chemotherapy in 3; and chemotherapy followed by radiotherapy or concurrent chemoradiotherapy in 5. Five patients did not receive planned radiotherapy because of disease progression. Including 2 patients who received salvage radiotherapy, 14 patients were treated with radiotherapy. Elective nodal irradiation was performed in 4 patients with high-risk factors, including 3 with cervical lymph node metastasis at presentation. Results: Fourteen patients were analyzable, with a median follow-up of 27 months (range, 7-64 months). The overall 3-year survival rate was 73.4%. Local failure occurred in 3 patients (21.4%), regional cervical failure in 3 (21.4%), and distant failure in 2 (14.3%). No cervical nodal failure occurred in patients treated with combined systemic chemotherapy regardless of ENI. Three cervical failures occurred in the 4 patients treated with ENI or neck dissection (75%), none of whom received systemic chemotherapy. Conclusions: ENI during radiotherapy for ENB seems to play a limited role in preventing cervical nodal failure. Omitting ENI may be an option if patients are treated with a combination of radiotherapy and chemotherapy.
Nodal involvement evaluation in advanced cervical cancer: a single institutional experience.
Gonzalez-Benitez, C; Zapardiel, I; Salas, P I; Diestro, M D; Hernandez, A; De Santiago, J
2013-01-01
To assess the usefulness of different imaging techniques in the detection of nodal involvement in patients with advanced cervical carcinoma. Moreover, to analyze the correlation between the presurgical (FIGO) and postsurgical (pTNM) staging classifications. All patients diagnosed with advanced cervical cancer (FIGO Stages IIB-IV) from 2005 to 2012 were selected. The medical charts of 51 patients that underwent presurgical assessment with posterior surgical staging by means of para-aortic lymphadenectomy, were reviewed. Nodal status assessment by computed tomography scan (CT scan), magnetic resonance imaging (MRI), positron emission tomography (PET), and sonography was compared, as well as the size given in imaging techniques compared to the final pathologic report information. Presurgical analysis by CT scan, MRI, PET, and sonography showed pelvic nodal involvement in 51.3% of patients, and para-aortic involvement in 30.8% of cases. CT scan showed positive pelvic nodes in 35% of cases, but pathologic confirmation was observed in just 17.6% of cases. However, MRI resulted in higher rates of up to 48.8% of cases. Concerning para-aortic nodal involvement, CT scan showed positive nodes in 25% of cases, MRI in 3.2% of cases, and the pathologic report in 15.6% of cases. The authors found significant differences between staging groups among both classifications (FIGO vs. pTNM; p < 0.001). Eight cases (15.7%) were understaged by FIGO classification. Despite all imaging techniques available, none has demonstrated to be efficient enough to avoid the systematic study of para-aortic nodal status by means of surgical evaluation.
Harmony of spinning conformal blocks
Energy Technology Data Exchange (ETDEWEB)
Schomerus, Volker [DESY Hamburg, Theory Group,Notkestraße 85, 22607 Hamburg (Germany); Sobko, Evgeny [Nordita and Stockholm University,Roslagstullsbacken 23, SE-106 91 Stockholm (Sweden); Isachenkov, Mikhail [Department of Particle Physics and Astrophysics, Weizmann Institute of Science,Rehovot 7610001 (Israel)
2017-03-15
Conformal blocks for correlation functions of tensor operators play an increasingly important role for the conformal bootstrap programme. We develop a universal approach to such spinning blocks through the harmonic analysis of certain bundles over a coset of the conformal group. The resulting Casimir equations are given by a matrix version of the Calogero-Sutherland Hamiltonian that describes the scattering of interacting spinning particles in a 1-dimensional external potential. The approach is illustrated in several examples including fermionic seed blocks in 3D CFT where they take a very simple form.
Harmony of spinning conformal blocks
Energy Technology Data Exchange (ETDEWEB)
Schomerus, Volker [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group; Sobko, Evgeny [Stockholm Univ. (Sweden); Nordita, Stockholm (Sweden); Isachenkov, Mikhail [Weizmann Institute of Science, Rehovoth (Israel). Dept. of Particle Physics and Astrophysics
2016-12-07
Conformal blocks for correlation functions of tensor operators play an increasingly important role for the conformal bootstrap programme. We develop a universal approach to such spinning blocks through the harmonic analysis of certain bundles over a coset of the conformal group. The resulting Casimir equations are given by a matrix version of the Calogero-Sutherland Hamiltonian that describes the scattering of interacting spinning particles in a 1-dimensional external potential. The approach is illustrated in several examples including fermionic seed blocks in 3D CFT where they take a very simple form.
Projectors, Shadows, and Conformal Blocks
Simmons-Duffin, David
2012-01-01
We introduce a method for computing conformal blocks of operators in arbitrary Lorentz representations in any spacetime dimension, making it possible to apply bootstrap techniques to operators with spin. The key idea is to implement the “shadow formalism” of Ferrara, Gatto, Grillo, and Parisi in a setting where conformal invariance is manifest. Conformal blocks in d -dimensions can be expressed as integrals over the projective null-cone in the “embedding space” $ \\mathbb{R} $ d +1,1 . Taking ...
Energy Technology Data Exchange (ETDEWEB)
Oliva, Amaury M.; Filho, Hermes A.; Silva, Davi M.; Garcia, Carlos R., E-mail: aoliva@iprj.uerj.br, E-mail: halves@iprj.uerj.br, E-mail: davijmsilva@yahoo.com.br, E-mail: cgh@instec.cu [Universidade do Estado do Rio de Janeiro (UERJ), Nova Friburgo, RJ (Brazil). Instituto Politecnico. Departamento de Modelagem Computacional; Instituto Superior de Tecnologias y Ciencias Aplicadas (InSTEC), La Habana (Cuba)
2017-07-01
In this paper, we propose a numerical methodology for the development of a method of the spectral nodal class that will generate numerical solutions free from spatial truncation errors. This method, denominated Spectral Deterministic Method (SDM), is tested as an initial study of the solutions (spectral analysis) of neutron transport equations in the discrete ordinates (S{sub N}) formulation, in one-dimensional slab geometry, multigroup approximation, with linearly anisotropic scattering, considering homogeneous and heterogeneous domains with fixed source. The unknowns in the methodology are the cell-edge, and cell average angular fluxes, the numerical values calculated for these quantities coincide with the analytic solution of the equations. These numerical results are shown and compared with the traditional ne- mesh method Diamond Difference (DD) and the coarse-mesh method spectral Green's function (SGF) to illustrate the method's accuracy and stability. The solution algorithms problems are implemented in a computer simulator made in C++ language, the same that was used to generate the results of the reference work. (author)
Higher-derivative generalization of conformal mechanics
Baranovsky, Oleg
2017-08-01
Higher-derivative analogs of multidimensional conformal particle and many-body conformal mechanics are constructed. Their Newton-Hooke counterparts are derived by applying appropriate coordinate transformations.
Radial Coordinates for Conformal Blocks
Hogervorst, Matthijs
2013-01-01
We develop the theory of conformal blocks in CFT_d expressing them as power series with Gegenbauer polynomial coefficients. Such series have a clear physical meaning when the conformal block is analyzed in radial quantization: individual terms describe contributions of descendants of a given spin. Convergence of these series can be optimized by a judicious choice of the radial quantization origin. We argue that the best choice is to insert the operators symmetrically. We analyze in detail the resulting "rho-series" and show that it converges much more rapidly than for the commonly used variable z. We discuss how these conformal block representations can be used in the conformal bootstrap. In particular, we use them to derive analytically some bootstrap bounds whose existence was previously found numerically.
Steady states in conformal theories
CERN. Geneva
2015-01-01
A novel conjecture regarding the steady state behavior of conformal field theories placed between two heat baths will be presented. Some verification of the conjecture will be provided in the context of fluid dynamics and holography.
Some Progress in Conformal Geometry
Directory of Open Access Journals (Sweden)
Sun-Yung A. Chang
2007-12-01
Full Text Available This is a survey paper of our current research on the theory of partial differential equations in conformal geometry. Our intention is to describe some of our current works in a rather brief and expository fashion. We are not giving a comprehensive survey on the subject and references cited here are not intended to be complete. We introduce a bubble tree structure to study the degeneration of a class of Yamabe metrics on Bach flat manifolds satisfying some global conformal bounds on compact manifolds of dimension 4. As applications, we establish a gap theorem, a finiteness theorem for diffeomorphism type for this class, and diameter bound of the $sigma_2$-metrics in a class of conformal 4-manifolds. For conformally compact Einstein metrics we introduce an eigenfunction compactification. As a consequence we obtain some topological constraints in terms of renormalized volumes.
National Automated Conformity Inspection Process -
Department of Transportation — The National Automated Conformity Inspection Process (NACIP) Application is intended to expedite the workflow process as it pertains to the FAA Form 81 0-10 Request...
Conformity Adequacy Review: Region 5
Resources are for air quality and transportation government and community leaders. Information on the conformity SIP adequacy/inadequacy of state implementation plans (SIPs) in EPA Region 5 (IL, IN, MI, OH, WI) is provided here.
Inverse bootstrapping conformal field theories
Li, Wenliang
2018-01-01
We propose a novel approach to study conformal field theories (CFTs) in general dimensions. In the conformal bootstrap program, one usually searches for consistent CFT data that satisfy crossing symmetry. In the new method, we reverse the logic and interpret manifestly crossing-symmetric functions as generating functions of conformal data. Physical CFTs can be obtained by scanning the space of crossing-symmetric functions. By truncating the fusion rules, we are able to concentrate on the low-lying operators and derive some approximate relations for their conformal data. It turns out that the free scalar theory, the 2d minimal model CFTs, the ϕ 4 Wilson-Fisher CFT, the Lee-Yang CFTs and the Ising CFTs are consistent with the universal relations from the minimal fusion rule ϕ 1 × ϕ 1 = I + ϕ 2 + T , where ϕ 1 , ϕ 2 are scalar operators, I is the identity operator and T is the stress tensor.
Aspect of the conformal invariance
International Nuclear Information System (INIS)
Bauer, M.
1990-11-01
This thesis is about the study of several physical and mathematical aspects of critical phenomena at two dimensions. These phenomena have remarkable symmetry properties in the coordonnates changes keeping the angles. They are named conformal theories
Naturality in conformal field theory
International Nuclear Information System (INIS)
Moore, G.; Seiberg, N.
1989-01-01
We discuss constraints on the operator product coefficients in diagonal and nondiagonal rational conformal field theories. Nondiagonal modular invariants always arise from automorphisms of the fusion rule algebra or from extensions of the chiral algebra. Moreover, when the chiral algebra has been maximally extended a strong form of the naturality principle of field theory can be proven for rational conformal field theory: operator product coefficients vanish if and only if the corresponding fusion rules vanish; that is, if and only if the vanishing can be understood in terms of a symmetry. We illustrate these ideas with several examples. We also generalize our ideas about rational conformal field theories to a larger class of theories: 'quasi-rational conformal field theories' and we explore some of their properties. (orig.)
Belkacemi, Y; Kaidar-Person, O; Poortmans, P; Ozsahin, M; Valli, M-C; Russell, N; Kunkler, I; Hermans, J; Kuten, A; van Tienhoven, G; Westenberg, H
2015-03-01
Predicting outcome of breast cancer (BC) patients based on sentinel lymph node (SLN) status without axillary lymph node dissection (ALND) is an area of uncertainty. It influences the decision-making for regional nodal irradiation (RNI). The aim of the NORA (NOdal RAdiotherapy) survey was to examine the patterns of RNI. A web-questionnaire, including several clinical scenarios, was distributed to 88 EORTC-affiliated centers. Responses were received between July 2013 and January 2014. A total of 84 responses were analyzed. While three-dimensional (3D) radiotherapy (RT) planning is carried out in 81 (96%) centers, nodal areas are delineated in only 51 (61%) centers. Only 14 (17%) centers routinely link internal mammary chain (IMC) and supraclavicular node (SCN) RT indications. In patients undergoing total mastectomy (TM) with ALND, SCN-RT is recommend by 5 (6%), 53 (63%) and 51 (61%) centers for patients with pN0(i+), pN(mi) and pN1, respectively. Extra-capsular extension (ECE) is the main factor influencing decision-making RNI after breast conserving surgery (BCS) and TM. After primary systemic therapy (PST), 49 (58%) centers take into account nodal fibrotic changes in ypN0 patients for RNI indications. In ypN0 patients with inner/central tumors, 23 (27%) centers indicate SCN-RT and IMC-RT. In ypN1 patients, SCN-RT is delivered by less than half of the centers in patients with ypN(i+) and ypN(mi). Twenty-one (25%) of the centers recommend ALN-RT in patients with ypN(mi) or 1-2N+ after ALND. Seventy-five (90%) centers state that age is not considered a limiting factor for RNI. The NORA survey is unique in evaluating the impact of SLNB/ALND status on adjuvant RNI decision-making and volumes after BCS/TM with or without PST. ALN-RT is often indicated in pN1 patients, particularly in the case of ECE. Besides the ongoing NSABP-B51/RTOG and ALLIANCE trials, NORA could help to design future specific RNI trials in the SLNB era without ALND in patients receiving or not PST.
Directory of Open Access Journals (Sweden)
Juan C Díaz Martínez
2010-04-01
Full Text Available La taquicardia por reentrada nodal es la causa más común de taquicardia supraventricular paroxística; en aquellos pacientes en quienes el manejo farmacológico no es efectivo o deseado la ablación por radiofrecuencia es un excelente método terapéutico dada su alta tasa de curación. Aunque en términos generales dichos procedimientos son rápidos y seguros, se han descrito varias complicaciones entre las que sobresale el accidente cerebrovascular isquémico. Se presenta el caso de una paciente de 41 años con episodios de taquicardia por reentrada nodal a repetición, que fue llevada a ablación por radiofrecuencia. En el post-operatorio inmediato se evidenció déficit neurológico focal con isquemia en el territorio de la arteria cerebral media derecha, tras lo cual se realizó angiografía con intento de angioplastia y abxicimab y posteriormente infusión local de activador de plasminógeno tisular (rtPA con adecuado resultado clínico y angiográfico.Atrioventricular nodal reentry tachycardia is the most common type of paroxismal supraventricular tachycardia. In those patients in whom drug therapy is not effective or not desired, radio frequency ablation is an excellent therapeutic method. Although overall these procedures are fast and safe, several complications among which ischemic stroke stands out, have been reported. We present the case of a 41 year old female patient with repetitive episodes of tachycardia due to nodal reentry who was treated with radiofrequency ablation. Immediately after the procedure she presented focal neurologic deficit consistent with ischemic stroke in the right medial cerebral artery territory. Angiography with angioplastia and abxicimab was performed and then tissue plasminogen activator (rtPA was locally infused, with appropriate clinical and angiographic outcome.
International Nuclear Information System (INIS)
Saghafi, Mahdi; Ghofrani, Mohammad Bagher; D’Auria, Francesco
2016-01-01
Highlights: • A thermal-hydraulic nodalization for PSB-VVER test facility has been developed. • Station blackout accident is modeled with the developed nodalization in MELCOR code. • The developed nodalization is qualified at both steady state and transient levels. • MELCOR predictions are qualitatively and quantitatively in acceptable range. • Fast Fourier Transform Base Method is used to quantify accuracy of code predictions. - Abstract: This paper deals with the development of a qualified thermal-hydraulic nodalization for modeling Station Black-Out (SBO) accident in PSB-VVER Integral Test Facility (ITF). This study has been performed in the framework of a research project, aiming to develop an appropriate accident management support tool for Bushehr nuclear power plant. In this regard, a nodalization has been developed for thermal-hydraulic modeling of the PSB-VVER ITF by MELCOR integrated code. The nodalization is qualitatively and quantitatively qualified at both steady-state and transient levels. The accuracy of the MELCOR predictions is quantified in the transient level using the Fast Fourier Transform Base Method (FFTBM). FFTBM provides an integral representation for quantification of the code accuracy in the frequency domain. It was observed that MELCOR predictions are qualitatively and quantitatively in the acceptable range. In addition, the influence of different nodalizations on MELCOR predictions was evaluated and quantified using FFTBM by developing 8 sensitivity cases with different numbers of control volumes and heat structures in the core region and steam generator U-tubes. The most appropriate case, which provided results with minimum deviations from the experimental data, was then considered as the qualified nodalization for analysis of SBO accident in the PSB-VVER ITF. This qualified nodalization can be used for modeling of VVER-1000 nuclear power plants when performing SBO accident analysis by MELCOR code.
Analysis of conformational flexibility of loop 110-120 of protein tyrosine phosphatase 1B.
Tanchuk, V Yu; Tanin, V O; Vovk, A I
2013-01-01
Conformations of the catalytic center of protein tyrosine phosphatase 1B (PTP1B) and surrounding loops are known to be important in catalysis and inhibition of the enzyme. There were 98 conformations from 88 PDB files representing PTP1B with different ligands which were analyzed to investigate the details of loop 110-120 movement and mobility of separate residues. The differences were identified by a special software tool which performs multiple comparisons of selected parts of PDB files. The conformations were divided into 6 clusters. It was found that the loop formed by residues 110-120 can be characterized by four main conformations. Predominantly, the loop 110-120 adopts the main conformation and keeps it during WPD loop movement. Three other conformations appear to be stabilized in case of closed WPD loop and seem to be favorable for PTP1B with subunit structure.
Exploiting sequence and stability information for directing nanobody stability engineering.
Kunz, Patrick; Flock, Tilman; Soler, Nicolas; Zaiss, Moritz; Vincke, Cécile; Sterckx, Yann; Kastelic, Damjana; Muyldermans, Serge; Hoheisel, Jörg D
2017-09-01
Variable domains of camelid heavy-chain antibodies, commonly named nanobodies, have high biotechnological potential. In view of their broad range of applications in research, diagnostics and therapy, engineering their stability is of particular interest. One important aspect is the improvement of thermostability, because it can have immediate effects on conformational stability, protease resistance and aggregation propensity of the protein. We analyzed the sequences and thermostabilities of 78 purified nanobody binders. From this data, potentially stabilizing amino acid variations were identified and studied experimentally. Some mutations improved the stability of nanobodies by up to 6.1°C, with an average of 2.3°C across eight modified nanobodies. The stabilizing mechanism involves an improvement of both conformational stability and aggregation behavior, explaining the variable degree of stabilization in individual molecules. In some instances, variations predicted to be stabilizing actually led to thermal destabilization of the proteins. The reasons for this contradiction between prediction and experiment were investigated. The results reveal a mutational strategy to improve the biophysical behavior of nanobody binders and indicate a species-specificity of nanobody architecture. This study illustrates the potential and limitations of engineering nanobody thermostability by merging sequence information with stability data, an aspect that is becoming increasingly important with the recent development of high-throughput biophysical methods. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Mathiesen, Vivi (ed.)
2011-07-01
This report shows that the principals of nodal pricing can be implemented in different ways. A common denominator for markets with nodal pricing is a central market based nodal dispatch, where prices and flows are determined simultaneously close to real time. This stands apart from the European market design, which is based on a highly simplified version of the grid, and a physical point auction day ahead. Congestion management is handled by the TSO during the operational hour and not through the market as is the case in nodal pricing systems. Nodal pricing yields optimal dispatch and congestion management through the market, and as such an optimal utilisation of energy generation and network. However, whether this short term optimisation delivers the highest overall efficiency for the market in terms of competition in the wholesale and retail market, price discovery, possibilities for hedging, long term price signals etc. is difficult to determine. The markets investigated handle issues such as market power, risk management, investment signals and retail markets in very different ways. New Zealand and PJM are examples of markets with full nodal pricing, i.e. both generators and the demand side are exposed to nodal prices. The PJM market has more 'additional features' than the New Zealand market. Examples of these are separate capacity market to trigger investments in generation and generator price caps to deal with situations of market power. In addition PJM offers liquid and mature markets for risk management, such as aggregates of nodes where market participant can chose to be settled (rather than to be settled directly at the node). A general finding though, seems to be that risk management at peripheral nodes is challenging in nodal markets, particularly for independent retailers. In New Zealand generators and retailers were permitted to 'reintegrate' in order to cope with the nodal prices. The Australian market has central market based
International Nuclear Information System (INIS)
Barros, R.C. de.
1991-09-01
Presented here is an attempt to improve the accuracy of transport nodal methods applied to deep penetration transport problems in x, y-geometry. The resulting nodal method uses the Spectral Green's Function (SGF) scheme for solving the one-dimensional transverse-integrated S N exponential nodal equations with no spatial truncation error. Based on the physics of deep penetration problems, we approximate the transverse leakage terms by approximate exponential shape functions. We show in numerical calculation that the SGF-Exponential Nodal (SGF-Exp N) method is much more accurate than other transport nodal methods for coarse-mesh deep penetration problems, specially in highly absorbing media. (author)
International Nuclear Information System (INIS)
Addae-Frimpomaah, F.
2012-11-01
In vitro regeneration of three sweet potato accessions UE007, UK-BNARI and SA-BNARI using meristem, nodal cuttings or callus induction was studied. Meristematic explants cultured on Murashige and Skoog (1962) basal medium supplemented with low concentration of benzylaminopurine (BAP) or kinetin resulted in callus with or without shoot development which delayed shoot emergence. The degree of callus development increased as the concentration of the cytokinin in the culture medium increased. Although, callus development was comparatively lower on kinetin amended medium than BAP amended medium, Murashige and Skoog medium supplemented with 0.25mg/1BAP had the highest shoot induction (80%). For further differentiation of callus or shoots into distinct stem and leaves, the culture were transferred into fresh MS medium supplemented with 0.25mg/1 BAP, 0.1 mg/1 NAA and 0.1 mg/1 Gibberellic acid (GA 3 . To overcome the delay in shoot initiation using meristem culture, nodal cuttings of sweet potato were used as explants and cultured on MS medium amended with 0.3 - 0.9mg/1 BAP. All explants cultured on 0.3 or 0.6mg/1 BAP developed shoots. Furthermore, liquid MS medium amended with 0.25mg/1 BAP, 0.1mg/I NAA, and 0.1mg/1 GA 3 also enhanced early shoot development from nodal cutting explants compared to solid culture. Post flask acclimatisation of meristem or nodal cutting-derived plantlets showed that meristem derived plantlets were better acclimatised than nodal cutting plants due to vigorous root development leading to higher percentage survival in pots and subsequent tuber production. Callusogenesis was achieved when leaf lobe explants were cultured on CLC/ Ipomoea medium supplemented with 1.0 - 4.0mg/1 2,4-D with 4.0mg/1 2,4-D being the optimal concentration. However, the calli were non-embryogenic and therefore could not produce embryos when transferred to 0.1mg/1 BAP amended medium but rather produced either single or multiple shoots. The highest percentage shoot (83
Ost, P; Jereczek-Fossa, B A; Van As, N; Zilli, T; Tree, A; Henderson, D; Orecchia, R; Casamassima, F; Surgo, A; Miralbell, R; De Meerleer, G
2016-09-01
To report the relapse pattern of stereotactic body radiotherapy (SBRT) for oligorecurrent nodal prostate cancer (PCa). PCa patients with ≤3 lymph nodes (N1/M1a) at the time of recurrence were treated with SBRT. SBRT was defined as a radiotherapy dose of at least 5 Gy per fraction to a biological effective dose of at least 80 Gy to all metastatic sites. Distant progression-free survival was defined as the time interval between the first day of SBRT and appearance of new metastatic lesions, outside the high-dose region. Relapses after SBRT were recorded and compared with the initially treated site. Secondary end points were local control, time to palliative androgen deprivation therapy and toxicity scored using the Common Terminology Criteria for Adverse Events v4.0. Overall, 89 metastases were treated in 72 patients. The median distant progression-free survival was 21 months (95% confidence interval 16-25 months) with 88% of patients having ≤3 metastases at the time of progression. The median time from first SBRT to the start of palliative androgen deprivation therapy was 44 months (95% confidence interval 17-70 months). Most relapses (68%) occurred in nodal regions. Relapses after pelvic nodal SBRT (n = 36) were located in the pelvis (n = 14), retroperitoneum (n = 1), pelvis and retroperitoneum (n = 8) or in non-nodal regions (n = 13). Relapses after SBRT for extrapelvic nodes (n = 5) were located in the pelvis (n = 1) or the pelvis and retroperitoneum (n = 4). Late grade 1 and 2 toxicity was observed in 17% (n = 12) and 4% of patients (n = 3). SBRT for oligometastatic PCa nodal recurrences is safe. Most subsequent relapses are again nodal and oligometastatic. Copyright © 2016 The Royal College of Radiologists. Published by Elsevier Ltd. All rights reserved.
Variable-temperature NMR and conformational analysis of Oenothein B
Energy Technology Data Exchange (ETDEWEB)
Santos, Suzana C.; Carvalho, Ariadne G.; Fortes, Gilmara A.C.; Ferri, Pedro H.; Oliveira, Anselmo E. de, E-mail: suzana.quimica.ufg@hotmail.com [Universidade Federal de Goias (UFGO), Goiania, GO (Brazil). Instituto de Quimica
2014-02-15
Oenothein B is a dimeric hydrolyzable tannin with a wide range of biological activities, such as antitumour, anti-inflammatory and antiviral. Its nuclear magnetic resonance (NMR) at room temperature show duplications and broadening of signals. Experiments of 1D and 2D NMR at lower temperatures were useful for the complete NMR assignments of all hydrogens and carbons. The 3D structure of the most stable conformer was determined for the first time by nuclear Overhauser effect spectroscopy (NOESY) experiment (-20 deg C) and density functional theory (DFT)(B3LYP/6-31G)/ polarizable continuum model (PCM) quantum chemical calculations. The favoured conformation showed a highly compacted geometry and a lack of symmetry, in which the two valoneoyl groups showed distinct conformational parameters and stabilities. (author)
Migda, Wojciech; Rys, Barbara
2006-07-21
Conformations of the title compounds were examined using DFT calculations and NBO analysis in order to find the origins of their conformational preferences. The most stable conformations were TBC and TCBtype-1 for the 2,4- and 3,5-benzodioxonine derivatives, respectively. In both of these conformations the acetal moiety adopts the g+/-g+/- geometry. The NBO analysis yielded values of the stabilization energy associated with the stereoelectronic nO --> sigmaC-O* interactions that were highest for conformations other than the global minima. Conformers displaying the strongest interactions followed different patterns of atom arrangement within the acetal moiety, namely g+g-, and those in which one or both of the torsion angles within the C-O-C-O-C segment were close to 90 degrees . Steric repulsion caused by alkyl substituents at the anomeric carbon was found to influence the strength of the nO --> sigmaC-O* stabilization through modification of bond lengths and torsion angles. The adopted ground-state conformations result from accommodation of steric repulsions and stabilizing stereoelectronic interactions. It was shown that DFT calculations of conformational preferences of acetals together with GIAO prediction of 13C chemical shifts should be a useful methodology for studies on conformation and conformational equilibria of acetals in solution.
Quantum Conformal Algebras and Closed Conformal Field Theory
Anselmi, D
1999-01-01
We investigate the quantum conformal algebras of N=2 and N=1 supersymmetric gauge theories. Phenomena occurring at strong coupling are analysed using the Nachtmann theorem and very general, model-independent, arguments. The results lead us to introduce a novel class of conformal field theories, identified by a closed quantum conformal algebra. We conjecture that they are the exact solution to the strongly coupled large-N_c limit of the open conformal field theories. We study the basic properties of closed conformal field theory and work out the operator product expansion of the conserved current multiplet T. The OPE structure is uniquely determined by two central charges, c and a. The multiplet T does not contain just the stress-tensor, but also R-currents and finite mass operators. For this reason, the ratio c/a is different from 1. On the other hand, an open algebra contains an infinite tower of non-conserved currents, organized in pairs and singlets with respect to renormalization mixing. T mixes with a se...
Unveiling the Sweet Conformations of Ketohexoses
Bermudez, C.; Pena, I.; Cabezas, C.; Daly, A. M.; Mata, S.; Alonso, J. L.
2013-06-01
The conformational behavior of ketohexoses D-Fructose, L-Sorbose, D-Tagatose and D-Psicose has been revealed from their rotational spectra. A broadband microwave spectrometer (CP-FTMW) has been used to rapidly acquire the rotational spectra in the 6 to 12 GHz frequency range. All observed species are stabilized by complicated intramolecular hydrogen-bonding networks. Structural motifs related to the sweetness of ketohexoses are revealed. G. G. Brown, B. C. Dian, K. O. Douglass, S. M. Geyer, S. T. Shipman, B. H. Pate, Rev. Sci. Instrum. 2008, 79, 053103. S. Mata, I. Peña, C. Cabezas, J. C. López, J. L. Alonso, J. Mol. Spectrosc. 2012, 280, 91.
Conformation of hindered piperidines: Spectroscopic evidence for ...
Indian Academy of Sciences (India)
Administrator
The preferred conformations of both the isomeric forms of nitrosamines were determined by comparison of ... found to possess pharmacological activity and form an essential part of the molecular structure of important drugs. 1 ... chair conformation. The relative preference among the various conformers in the conformational ...
40 CFR 93.154 - Conformity analysis.
2010-07-01
... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Conformity analysis. 93.154 Section 93...) DETERMINING CONFORMITY OF FEDERAL ACTIONS TO STATE OR FEDERAL IMPLEMENTATION PLANS Determining Conformity of General Federal Actions to State or Federal Implementation Plans § 93.154 Conformity analysis. Any Federal...
Engineering topological phases with a three-dimensional nodal-loop semimetal
Li, Linhu; Yap, Han Hoe; Araújo, Miguel A. N.; Gong, Jiangbin
2017-12-01
A three-dimensional (3D) nodal-loop semimetal phase is exploited to engineer a number of intriguing phases featuring different peculiar topological surface states. In particular, by introducing various two-dimensional gap terms to a 3D tight-binding model of a nodal-loop semimetal, we obtain a rich variety of topological phases of great interest to ongoing theoretical and experimental studies, including a chiral insulator, degenerate-surface-loop insulator, and second-order topological insulator, as well as a Weyl semimetal with tunable Fermi arc profiles. The unique concept underlying our approach is to engineer topological surface states that inherit their dispersion relations from a gap term. The results provide one rather unified principle for the creation of novel topological phases and can guide the search for new topological materials. Two-terminal transport studies are also carried out to distinguish the engineered topological phases.
Harvey, Jason; Moore, Michael
2013-01-01
The General-Use Nodal Network Solver (GUNNS) is a modeling software package that combines nodal analysis and the hydraulic-electric analogy to simulate fluid, electrical, and thermal flow systems. GUNNS is developed by L-3 Communications under the TS21 (Training Systems for the 21st Century) project for NASA Johnson Space Center (JSC), primarily for use in space vehicle training simulators at JSC. It has sufficient compactness and fidelity to model the fluid, electrical, and thermal aspects of space vehicles in real-time simulations running on commodity workstations, for vehicle crew and flight controller training. It has a reusable and flexible component and system design, and a Graphical User Interface (GUI), providing capability for rapid GUI-based simulator development, ease of maintenance, and associated cost savings. GUNNS is optimized for NASA's Trick simulation environment, but can be run independently of Trick.
Energy Technology Data Exchange (ETDEWEB)
Kwon, Jung Hyeok; Ryu, Seung Wan; Kang, Yu Na [Keimyung University School of Medicine, Daegu (Korea, Republic of)
2007-06-15
Traumatic neuroma is a well-known disorder that occurs after trauma or surgery involving the peripheral nerve and develops from a nonneoplastic proliferation of the proximal end of a severed, partially transected, or injured nerve. However, in the abdomen, traumatic neuromas have been sporadically reported to occur in the bile duct. We present here a case of traumatic neuroma around the celiac trunk after gastrectomy that mimicks a nodal metastasis. In conclusion, the imaging finding of traumatic neuroma around the celiac trunk was a homogeneous hypovascular mass without narrowing or irregularity of encased arteries and without increased uptake on PET-CT. Although from a clinical standpoint, establishing an accurate preoperative diagnosis is difficult to perform, the presence of a traumatic neuroma should be included in the differential diagnosis of a mass around the celiac trunk in a patient that has undergone celiac nodal dissection.
Reconstruction of pin burnup characteristics from nodal calculations in hexagonal geometry
International Nuclear Information System (INIS)
Yang, W.S.; Finck, P.J.; Khalil, H.S.
1990-01-01
A reconstruction method has been developed for recovering pin burnup characteristics from fuel cycle calculations performed in hexagonal-z geometry using the nodal diffusion option of the DIF3D/REBUS-3 code system. Intra-modal distributions of group fluxes, nuclide densities, power density, burnup, and fluence are efficiently computed using polynomial shapes constrained to satisfy nodal information. The accuracy of the method has been tested by performing several numerical benchmark calculations and by comparing predicted local burnups to values measured for experimental assemblies in EBR-11. The results indicate that the reconstruction methods are quite accurate, yielding maximum errors in power and nuclide densities that are less than 2% for driver assemblies and typically less than 5% for blanket assemblies. 14 refs., 2 figs., 5 tabs
Building the nodal nuclear data dependences in a many-dimensional state-variable space
International Nuclear Information System (INIS)
Dufek, Jan
2011-01-01
Highlights: → The Abstract and Introduction are revised to reflect reviewers' comments. → Section is revised and simplified. → The third paragraph in Section is revised. → All typos are fixed. - Abstract: We present new methods for building the polynomial-regression based nodal nuclear data models. The data models can reflect dependences on a large number of state variables, and they can consider various history effects. Suitable multivariate polynomials that approximate the nodal data dependences are identified efficiently in an iterative manner. The history effects are analysed using a new sampling scheme for lattice calculations where the traditional base burnup and branch calculations are replaced by a large number of diverse burnup histories. The total number of lattice calculations is controlled so that the data models are built to a required accuracy.
International Nuclear Information System (INIS)
Lawrence, R.D.; Dorning, J.J.
1980-01-01
A coarse-mesh discrete nodal integral transport theory method has been developed for the efficient numerical solution of multidimensional transport problems of interest in reactor physics and shielding applications. The method, which is the discrete transport theory analogue and logical extension of the nodal Green's function method previously developed for multidimensional neutron diffusion problems, utilizes the same transverse integration procedure to reduce the multidimensional equations to coupled one-dimensional equations. This is followed by the conversion of the differential equations to local, one-dimensional, in-node integral equations by integrating back along neutron flight paths. One-dimensional and two-dimensional transport theory test problems have been systematically studied to verify the superior computational efficiency of the new method
Probabilistic modeling of nodal electric vehicle load due to fast charging stations
DEFF Research Database (Denmark)
Tang, Difei; Wang, Peng; Wu, Qiuwei
2016-01-01
operation of both traffic and power systems. This paper proposes a probabilistic approach to model the nodal EV load at fast charging stations in integrated power and transport systems. Following the introduction of the spatial-temporal model of moving EV loads, we extended the model by taking fast charging...... station into consideration. Fuzzy logic inference system is applied to simulate the charging decision of EV drivers at fast charging station. Due to increasing EV loads in power system, the potential traffic congestion in fast charging stations is modeled and evaluated by queuing theory with spatial......-temporal varying arrival and service rates. The time-varying nodal EV loads are obtained by the number of operating fast chargers at each node of the power system. System studies demonstrate that the combination of AC normal and DC charging may share the EV charging demand and alleviate the impact to power system...
Directory of Open Access Journals (Sweden)
Ken-Pen Weng
2005-10-01
Full Text Available A healthy 15-year-old male patient presented with a 6-month history of recurrent attacks of palpitations. On multiple emergency room visits, a sustained wide QRS complex tachycardia with a right bundle branch block and northwest axis deviation was documented. The tachycardia was not terminated by intravenous adenosine, but was suppressed with intravenous verapamil. There was no evidence of structural heart disease, myocarditis, long QT syndrome, or electrolyte imbalance after a series of standard examinations. Idiopathic left ventricular tachycardia (ILVT was suspected. Electrophysiologic studies revealed 2 inducible tachycardias, which were shown to represent atrioventricular nodal reentrant tachycardia (AVNRT and ILVT. Transformation from AVNRT to ILVT occurred spontaneously following atrial pacing. Successful ablation of ILVT and the slow atrioventricular nodal pathway resulted in cure of the double tachycardia.
Ca and Mg binding induce conformational stability of Calfumirin-1 ...
Indian Academy of Sciences (India)
be inserted to an expression vector pET-15b (Novagen) containing a His6-tag proceeded by a thrombin diges- tion site. ... the plasmid constructs (pET-CAF-1) encoding wild- type CAF-1 and mutant are transferred into the E. coli ... resin and stored in plastic bottle. 2.2 Intrinsic fluorescence. Intrinsic fluorescence spectra are ...
Ca and Mg binding induce conformational stability of Calfumirin-1 ...
Indian Academy of Sciences (India)
loops of CaBPs to accommodate the hexagonally coor- dinated metal ion.19–24 The different ionic radii of the two ions (Ca2+ = 1.14 Å and Mg2+ = 0.86 Å) enable specificity of CaBPs towards Ca2+ over Mg2+ binding, with distinguished affinity towards CaBPs.23 As there is a high concentration of Mg2+ in the cell, the bind-.
Nodal imaging in the neck: recent advances in US, CT and MR imaging of metastatic nodes
International Nuclear Information System (INIS)
Nakamura, Takashi; Sumi, Misa
2007-01-01
The presence of lymph node metastasis in the neck in patients with head and neck cancer is an important prognostic determinant in staging cancers and in planning surgery and chemo- and radiotherapy for the cancer patients. Therefore, metastatic nodes should be effectively differentiated from benign lymphadenopathies and nodal lymphomas. Here, we review recent advances in the diagnostic imaging of metastatic nodes in the neck, with emphasis placed on the diagnostic performance of MR imaging, Doppler sonography, and CT. (orig.)
Determination of the local heterogeneous power distribution in nodal coarse-mesh methods
International Nuclear Information System (INIS)
Koebke, K.
1978-01-01
In the last few years, methods have been developed which enable the power of single fuel rods and the activation rates at the location of the spherical measuring positions to be determined with high accuracy on the basis of the converged nodal coarse-mesh solution. The new programme PINPOW has been established as an evaluation programme for the 2- and 3-dimensional coarse-mesh programmes MEDIUM-2, BOXER, IQSBOX, (orig./RW) [de
Implementation of generalized perturbation theory into the 3-D nodal code SIMULATE
International Nuclear Information System (INIS)
Bowman, S.M.; Williams, M.L.; Dodds, H.L.
1980-01-01
Determining the effects of changes in design and data parameters upon reactor performance can be very expensive when many perturbations must be considered for a complex system. In order to substantially reduce the cost involved in calculations such as these, generalized perturbation theory (GPT) capability has been implemented into the 3-D LWR nodal reactor analysis code SIMULATE. This capability makes 3-D sensitivity analysis of a realistic LWR practical for the first time. Applications to design analysis will be discussed
The BWR core simulator COSIMA with 2 group nodal flux expansion and control rod history
International Nuclear Information System (INIS)
Hoejerup, C.F.
1989-08-01
The boiling water simulator NOTAM has been modified and improved in several aspects: - The ''1 1/2'' energy group TRILUX nodal flux solution method has been exchanged with a 2 group modal expansion method. - Control rod ''history'' has been introduced. - Precalculated instrument factors have been introduced. The paper describes these improvements, which were considered sufficiently large to justify a new name to the programme: COSIMA. (author)
2016-01-27
RESEARCH ARTICLE VA- Index : Quantifying Assortativity Patterns in Networks with Multidimensional Nodal Attributes Konstantinos Pelechrinis*, DongWei...treatment of this problem. In this study we develop a metric, the vector assortativity index (VA- index for short), based on network randomization and...extensive experimental results on synthetic network data show that the VA- index outperforms a baseline extension of the assortativity coeffi- cient, which
A nodal method for solving the time-depending diffusion equation in the IQS approximation
International Nuclear Information System (INIS)
Vidovsky, I.; Kereszturi, A.
1991-11-01
The fast and slow variation of the neutron flux shape needed for the dynamical description of nuclear reactor cores can be described advantageously in the Improved Quasistatic (IQS) model where the flux is factorized by a fast changing space-independent amplitude and a slow changing shape function. The basic equations of a time-dependent nodal approximation using the IQS method is presented.The calculational procedure of the response matrices is also described. (R.P.) 2 refs
Nodal soliton solutions for quasilinear Schrödinger equations with critical exponent
Deng, Yinbin; Peng, Shuangjie; Wang, Jixiu
2013-01-01
This paper is concerned with constructing nodal radial solutions for quasilinear Schrödinger equations in {R}^N with critical growth which have appeared as several models in mathematical physics. For any given integer k ⩾ 0, by using a change of variables and minimization argument, we obtain a sign-changing minimizer with k nodes of a minimization problem. Since the critical exponent appears and the lower order term may change sign, we should use more delicate arguments.
Nodal soliton solutions for generalized quasilinear Schrödinger equations
Energy Technology Data Exchange (ETDEWEB)
Deng, Yinbin, E-mail: ybdeng@mail.ccnu.edu.cn; Peng, Shuangjie, E-mail: sjpeng@mail.ccnu.edu.cn [School of Mathematics and Statistics, Huazhong Normal University, Wuhan 430079 (China); Wang, Jixiu, E-mail: wangjixiu127@aliyun.com [School of Mathematics and Computer Science, Hubei University of Arts and Science, Xiangyang 441053 (China)
2014-05-15
This paper is concerned with constructing nodal radial solutions for generalized quasilinear Schrödinger equations in R{sup N} which arise from plasma physics, fluid mechanics, as well as high-power ultashort laser in matter. For any given integer k ⩾ 0, by using a change of variables and minimization argument, we obtain a sign-changing minimizer with k nodes of a minimization problem.
Jang Hyung-Wook; Lee Sang-Yong; Oh Seung-Jong; Kim Woong-Bae
2017-01-01
The phenomena of loss of coolant accident have been investigated for long time and the result of experiment shows that the flow condition in the downcomer during the end-of-blowdown were highly multi-dimensional at full-scale. However, the downcomer nodalization of input deck for large break loss of coolant accident used in advanced power reactor 1400 analyses are made up with 1-D model and improperly designed to describe realistic coolant phenomena during ...
Disrupted nodal and hub organization account for brain network abnormalities in Parkinson’s disease
Directory of Open Access Journals (Sweden)
Yuko Koshimori
2016-11-01
Full Text Available The recent application of graph theory to brain networks promises to shed light on complex diseases such as Parkinson’s disease. This study aimed to investigate functional changes in sensorimotor and cognitive networks in parkinsonian patients, with a focus on inter- and intra-connectivity organization in the disease-associated nodal and hub regions using the graph theoretical analyses. Resting-state functional MRI data of a total of 65 participants, including 23 healthy controls and 42 patients, were investigated in 120 nodes for local efficiency, betweenness centrality, and degree. Hub regions were identified in the healthy control and patient groups. We found nodal and hub changes in patients compared with healthy controls, including the right pre-supplementary motor area, left anterior insula, bilateral mid-insula, bilateral dorsolateral prefrontal cortex, and right caudate nucleus. In general, nodal regions within the sensorimotor network (i.e. right pre-supplementary motor area and right mid-insula displayed weakened connectivity, with the former node associated with more severe bradykinesia, and impaired integration with default mode network regions. The left mid-insula also lost its hub properties in patients. Within the executive networks, the left anterior insular cortex lost its hub properties in patients, while a new hub region was identified in the right caudate nucleus, paralleled by an increased level of inter- and intra-connectivity in the bilateral dorsolateral prefrontal cortex possibly representing compensatory mechanisms. These findings highlight the diffuse changes in nodal organization and regional hub disruption accounting for the distributed abnormalities across brain networks and the clinical manifestations of Parkinson’s disease.
Dynamic Analysis of Offshore Oil Pipe Installation Using the Absolute Nodal Coordinate Formulation
DEFF Research Database (Denmark)
Nielsen, Jimmy D; Madsen, Søren B; Hyldahl, Per Christian
2013-01-01
The Absolute Nodal Coordinate Formulation (ANCF) has shown promising results in dynamic analysis of structures that undergo large deformation. The method relaxes the assumption of infinitesimal rotations. Being based in a fixed inertial reference frame leads to a constant mass matrix and zero......, are included to mimic the external forces acting on the pipe during installation. The scope of this investigation is to demonstrate the ability using the ANCF to analyze the dynamic behavior of an offshore oil pipe during installation...
Numerical divergence effects of equivalence theory in the nodal expansion method
International Nuclear Information System (INIS)
Zika, M.R.; Downar, T.J.
1993-01-01
Accurate solutions of the advanced nodal equations require the use of discontinuity factors (DFs) to account for the homogenization errors that are inherent in all coarse-mesh nodal methods. During the last several years, nodal equivalence theory (NET) has successfully been implemented for the Cartesian geometry and has received widespread acceptance in the light water reactor industry. The extension of NET to other reactor types has had limited success. Recent efforts to implement NET within the framework of the nodal expansion method have successfully been applied to the fast breeder reactor. However, attempts to apply the same methods to thermal reactors such as the Modular High-Temperature Gas Reactor (MHTGR) have led to numerical divergence problems that can be attributed directly to the magnitude of the DFs. In the work performed here, it was found that the numerical problems occur in the inner and upscatter iterations of the solution algorithm. These iterations use a Gauss-Seidel iterative technique that is always convergent for problems with unity DFs. However, for an MHTGR model that requires large DFs, both the inner and upscatter iterations were divergent. Initial investigations into methods for bounding the DFs have proven unsatisfactory as a means of remedying the convergence problems. Although the DFs could be bounded to yield a convergent solution, several cases were encountered where the resulting flux solution was less accurate than the solution without DFs. For the specific case of problems without upscattering, an alternate numerical method for the inner iteration, an LU decomposition, was identified and shown to be feasible
Moderator feedback effects in two-dimensional nodal methods for pressurized water reactor analysis
International Nuclear Information System (INIS)
Downar, T.J.
1987-01-01
A method was developed for incorporating moderator feedback effects in two-dimensional nodal codes used for pressurized water reactor (PWR) neutronic analysis. Equations for the assembly average quality and density are developed in terms of the assembly power calculated in two dimensions. The method is validated with a Westinghouse PWR using the Electric Power Research Institute code SIMULATE-E. Results show a several percent improvement is achieved in the two-dimensional power distribution prediction compared to methods without moderator feedback
Conformational impact of structural modifications in 2-fluorocyclohexanone
Directory of Open Access Journals (Sweden)
Francisco A. Martins
2017-08-01
Full Text Available 2-Haloketones are building blocks that combine physical, chemical and biological features of materials and bioactive compounds, while organic fluorine plays a fundamental role in the design of performance organic molecules. Since these features are dependent on the three-dimensional chemical structure of a molecule, simple structural modifications can affect its conformational stability and, consequently, the corresponding physicochemical/biological property of interest. In this work, structural changes in 2-fluorocyclohexanone were theoretically studied with the aim at finding intramolecular interactions that induce the conformational equilibrium towards the axial or equatorial conformer. The interactions evaluated were hydrogen bonding, hyperconjugation, electrostatic and steric effects. While the gauche effect, originated from hyperconjugative interactions, does not appear to cause some preferences for the axial conformation of organofluorine heterocycles, more classical effects indeed rule the conformational equilibrium of the compounds. Spectroscopic parameters (NMR chemical shifts and coupling constants, which can be useful to determine the stereochemistry and the interactions operating in the series of 2-fluorocyclohexanone derivatives, were also calculated.
HAMP domain conformers that propagate opposite signals in bacterial chemoreceptors.
Directory of Open Access Journals (Sweden)
Michael V Airola
Full Text Available HAMP domains are signal relay modules in >26,000 receptors of bacteria, eukaryotes, and archaea that mediate processes involved in chemotaxis, pathogenesis, and biofilm formation. We identify two HAMP conformations distinguished by a four- to two-helix packing transition at the C-termini that send opposing signals in bacterial chemoreceptors. Crystal structures of signal-locked mutants establish the observed structure-to-function relationships. Pulsed dipolar electron spin resonance spectroscopy of spin-labeled soluble receptors active in cells verify that the crystallographically defined HAMP conformers are maintained in the receptors and influence the structure and activity of downstream domains accordingly. Mutation of HR2, a key residue for setting the HAMP conformation and generating an inhibitory signal, shifts HAMP structure and receptor output to an activating state. Another HR2 variant displays an inverted response with respect to ligand and demonstrates the fine energetic balance between "on" and "off" conformers. A DExG motif found in membrane proximal HAMP domains is shown to be critical for responses to extracellular ligand. Our findings directly correlate in vivo signaling with HAMP structure, stability, and dynamics to establish a comprehensive model for HAMP-mediated signal relay that consolidates existing views on how conformational signals propagate in receptors. Moreover, we have developed a rational means to manipulate HAMP structure and function that may prove useful in the engineering of bacterial taxis responses.
Dynamics of particles around time conformal Schwarzschild black hole
Jawad, Abdul; Ali, Farhad; Shahzad, M. Umair; Abbas, G.
2016-11-01
In this work, we present the new technique for discussing the dynamical motion of neutral as well as charged particles in the absence/presence of a magnetic field around the time conformal Schwarzschild black hole. Initially, we find the numerical solutions of geodesics of the Schwarzschild black hole and the time conformal Schwarzschild black hole. We observe that the Schwarzschild spacetime admits the time conformal factor e^{ɛ f(t)}, where f( t) is an arbitrary function and ɛ is very small, which causes a perturbation in the spacetimes. This technique also re-scales the energy content of spacetime. We also investigate the thermal stability, horizons and energy conditions corresponding to time conformal Schwarzschild spacetime. Also, we examine the dynamics of a neutral and charged particle around a time conformal Schwarzschild black hole. We investigate the circumstances under which the particle can escape from the vicinity of a black hole after collision with another particle. We analyze the effective potential and effective force of a particle in the presence of a magnetic field with angular momentum graphically.
International Nuclear Information System (INIS)
Wu Hongchun; Xie Zhongsheng; Zhu Xuehua
1994-01-01
The nodal discrete-ordinate transport calculating model of anisotropy scattering problem in three-dimensional cartesian geometry is given. The computing code NOTRAN/3D has been encoded and the satisfied conclusion is gained
DEFF Research Database (Denmark)
Licht, Peter B; Jørgensen, Ole Dan; Ladegaard, Lars
2013-01-01
upstaging after thoracoscopic (VATS) lobectomy than after thoracotomy. STS data, however, may be biased from voluntary reporting, and survival was not investigated. We used a complete national registry to compare nodal upstaging and survival after lobectomy by VATS or thoracotomy....
Optimal allosteric stabilization sites using contact stabilization analysis.
Dickson, Alex; Bailey, Christopher T; Karanicolas, John
2017-06-05
Proteins can be destabilized by a number of environmental factors such as temperature, pH, and mutation. The ability to subsequently restore function under these conditions by adding small molecule stabilizers, or by introducing disulfide bonds, would be a very powerful tool, but the physical principles that drive this stabilization are not well understood. The first problem lies is in choosing an appropriate binding site or disulfide bond location to best confer stability to the active site and restore function. Here, we present a general framework for predicting which allosteric binding sites correlate with stability in the active site. Using the Karanicolas-Brooks Gō-like model, we examine the dynamics of the enzyme β-glucuronidase using an Umbrella Sampling method to thoroughly sample the conformational landscape. Each intramolecular contact is assigned a score termed a "stabilization factor" that measures its correlation with structural changes in the active site. We have carried out this analysis for three different scaling strengths for the intramolecular contacts, and we examine how the calculated stabilization factors depend on the ensemble of destabilized conformations. We further examine a locally destabilized mutant of β-glucuronidase that has been characterized experimentally, and show that this brings about local changes in the stabilization factors. We find that the proximity to the active site is not sufficient to determine which contacts can confer active site stability. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.
A coarse-mesh nodal method-diffusive-mesh finite difference method
International Nuclear Information System (INIS)
Joo, H.; Nichols, W.R.
1994-01-01
Modern nodal methods have been successfully used for conventional light water reactor core analyses where the homogenized, node average cross sections (XSs) and the flux discontinuity factors (DFs) based on equivalence theory can reliably predict core behavior. For other types of cores and other geometries characterized by tightly-coupled, heterogeneous core configurations, the intranodal flux shapes obtained from a homogenized nodal problem may not accurately portray steep flux gradients near fuel assembly interfaces or various reactivity control elements. This may require extreme values of DFs (either very large, very small, or even negative) to achieve a desired solution accuracy. Extreme values of DFs, however, can disrupt the convergence of the iterative methods used to solve for the node average fluxes, and can lead to a difficulty in interpolating adjacent DF values. Several attempts to remedy the problem have been made, but nothing has been satisfactory. A new coarse-mesh nodal scheme called the Diffusive-Mesh Finite Difference (DMFD) technique, as contrasted with the coarse-mesh finite difference (CMFD) technique, has been developed to resolve this problem. This new technique and the development of a few-group, multidimensional kinetics computer program are described in this paper
Peng, Yingying; Meng, Jianqiao; Mou, Daixiang; He, Junfeng; Zhao, Lin; Wu, Yue; Liu, Guodong; Dong, Xiaoli; He, Shaolong; Zhang, Jun; Wang, Xiaoyang; Peng, Qinjun; Wang, Zhimin; Zhang, Shenjin; Yang, Feng; Chen, Chuangtian; Xu, Zuyan; Lee, T K; Zhou, X J
2013-01-01
The parent compound of the copper-oxide high-temperature superconductors is a Mott insulator. Superconductivity is realized by doping an appropriate amount of charge carriers. How a Mott insulator transforms into a superconductor is crucial in understanding the unusual physical properties of high-temperature superconductors and the superconductivity mechanism. Here we report high-resolution angle-resolved photoemission measurement on heavily underdoped Bi₂Sr₂-xLaxCuO(₆+δ) system. The electronic structure of the lightly doped samples exhibit a number of characteristics: existence of an energy gap along the nodal direction, d-wave-like anisotropic energy gap along the underlying Fermi surface, and coexistence of a coherence peak and a broad hump in the photoemission spectra. Our results reveal a clear insulator-superconductor transition at a critical doping level of ~0.10 where the nodal energy gap approaches zero, the three-dimensional antiferromagnetic order disappears, and superconductivity starts to emerge. These observations clearly signal a close connection between the nodal gap, antiferromagnetism and superconductivity.
Theoretical and experimental evidence for a nodal energy gap in MgB2
Agassi, Y. Dan; Oates, Daniel E.
2017-11-01
We present a phenomenological model that strongly suggests that the smaller of the two energy gaps in MgB2, the so-called π gap, contains nodal lines with a six-fold symmetry (i-wave). The model also indicates that the larger gap, the so-called σ gap, is conventional s-wave. The model is an extension of the BCS gap equation that accounts for the elastic anisotropy in MgB2 and the Coulomb repulsion. It is based on a phononic pairing mechanism and assumes no coupling between the two energy gaps in MgB2 at zero temperature. All of the parameters of the model, such as sound velocities and masses, are independently determined material constants. The results agree with a previous ad-hoc hypothesis that the π energy gap has six nodal lines. That hypothesis was motivated by low-temperature measurements of the surface impedance and intermodulation distortion in high-quality thin films. We briefly review experimental evidence in the literature that is relevant to the energy-gap symmetry. We find that the evidence from the literature for s-wave is inconclusive. Our finding is that the π gap has six nodal lines.
Sensitivity analysis to a RELAP5 nodalization developed for a typical TRIGA research reactor
International Nuclear Information System (INIS)
Reis, Patrícia A.L.; Costa, Antonella L.; Pereira, Claubia; Silva, Clarysson A.M.; Veloso, Maria Auxiliadora F.
2012-01-01
Highlights: ► We investigated how much the code results are affected by the code user. ► Two essential modifications were made on a previously validated nodalization. ► We used the RELAP5 code to predict the results. ► Results highlight the necessity of sensitivity analysis to have the ideal modeling. - Abstract: The main aim of this work is to identify how much the code results are affected by the code user in the choice of, for example, the number of thermal hydraulic channels in a nuclear reactor nodalization. To perform this, two essential modifications were made on a previously validated nodalization for analysis of steady-state and forced recirculation off transient in the IPR-R1 TRIGA research reactor. Experimental data were taken as reference to compare the behavior of the reactor for two different types of modeling. The results highlight the necessity of sensitivity analysis to obtain the ideal modeling to simulate a specific system.
Some topics on safety analysis and accident nodalization of CAREM-25
International Nuclear Information System (INIS)
Gimenez, Marcelo O.; Zanocco, Pablo; Schlamp, Miguel A.; Ottaviani, Anahi; Garcia, Alicia
2000-01-01
The main goal of nuclear safety area in the CAREM Project Phase I, carried out during 1999, was to consolidate the safety systems design through an integral analysis of the reactor and the safety systems response to different accidental sequences. A primary circuit nodalization, including the steam generators, was done with RELAP5 code. The modeling of System 230 (absorber rods drive feed water system), System 1400 (purification and control volume system) and steam condensation on the absorber rods drive system and on RPV wall is implemented through boundary conditions. Also the Residual Heat Removal System and the Second Shutdown system are modeled. The reactor steady state at full power was calculated. The results agree quite well with design values. It can be said from the accident analysis that the nodalization responds properly. Further analysis should be done in order to qualify the nodalization and to compare benchmarks with other codes and experimental data. On the other hand, the steam dome model should be improved with more precise data about absorber rods drive system condensation, loss of heat and inner components layout. (author)
An analytical approach for a nodal scheme of two-dimensional neutron transport problems
International Nuclear Information System (INIS)
Barichello, L.B.; Cabrera, L.C.; Prolo Filho, J.F.
2011-01-01
Research highlights: → Nodal equations for a two-dimensional neutron transport problem. → Analytical Discrete Ordinates Method. → Numerical results compared with the literature. - Abstract: In this work, a solution for a two-dimensional neutron transport problem, in cartesian geometry, is proposed, on the basis of nodal schemes. In this context, one-dimensional equations are generated by an integration process of the multidimensional problem. Here, the integration is performed for the whole domain such that no iterative procedure between nodes is needed. The ADO method is used to develop analytical discrete ordinates solution for the one-dimensional integrated equations, such that final solutions are analytical in terms of the spatial variables. The ADO approach along with a level symmetric quadrature scheme, lead to a significant order reduction of the associated eigenvalues problems. Relations between the averaged fluxes and the unknown fluxes at the boundary are introduced as the usually needed, in nodal schemes, auxiliary equations. Numerical results are presented and compared with test problems.
Comparison of the calculated neutron noise using finite differences and the Analytical Nodal Method
International Nuclear Information System (INIS)
Larsson, Viktor; Demazière, Christophe
2012-01-01
Highlights: ► Numerical neutron noise calculations for a commercial PWR. ► Comparison using finite differences and the Analytical Nodal Method. ► Little gain for the higher cost of more advanced methods. ► Finite difference adequate for neutron noise calculations. - Abstract: In this paper, a comparison of the calculated neutron noise, i.e. the fluctuation of the neutron flux around its average value assuming that all processes are stationary, is conducted, where the neutron noise is calculated using finite differences alone and with finite differences where the Analytical Nodal Method is used to correct the neutron currents, respectively. It is seen that the lower the frequency of the noise source, the larger difference between the two solutions. The main conclusion from this work is that the gain of calculating the neutron noise using the more sophisticated Analytical Nodal Method compared to the increase of the corresponding computational burden is too little to motivate the use of the ANM.
A block-iterative nodal integral method for forced convection problems
International Nuclear Information System (INIS)
Decker, W.J.; Dorning, J.J.
1992-01-01
A new efficient iterative nodal integral method for the time-dependent two- and three-dimensional incompressible Navier-Stokes equations has been developed. Using the approach introduced by Azmy and Droning to develop nodal mehtods with high accuracy on coarse spatial grids for two-dimensional steady-state problems and extended to coarse two-dimensional space-time grids by Wilson et al. for thermal convection problems, we have developed a new iterative nodal integral method for the time-dependent Navier-Stokes equations for mechanically forced convection. A new, extremely efficient block iterative scheme is employed to invert the Jacobian within each of the Newton-Raphson iterations used to solve the final nonlinear discrete-variable equations. By taking advantage of the special structure of the Jacobian, this scheme greatly reduces memory requirements. The accuracy of the overall method is illustrated by appliying it to the time-dependent version of the classic two-dimensional driven cavity problem of computational fluid dynamics
International Nuclear Information System (INIS)
Ackroyd, R.T.
1987-01-01
A least squares principle is described which uses a penalty function treatment of boundary and interface conditions. Appropriate choices of the trial functions and vectors employed in a dual representation of an approximate solution established complementary principles for the diffusion equation. A geometrical interpretation of the principles provides weighted residual methods for diffusion theory, thus establishing a unification of least squares, variational and weighted residual methods. The complementary principles are used with either a trial function for the flux or a trial vector for the current to establish for regular meshes a connection between finite element, finite difference and nodal methods, which can be exact if the mesh pitches are chosen appropriately. Whereas the coefficients in the usual nodal equations have to be determined iteratively, those derived via the complementary principles are given explicitly in terms of the data. For the further development of the connection between finite element, finite difference and nodal methods, some hybrid variational methods are described which employ both a trial function and a trial vector. (author)
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Jang Hyung-Wook
2017-01-01
Full Text Available The phenomena of loss of coolant accident have been investigated for long time and the result of experiment shows that the flow condition in the downcomer during the end-of-blowdown were highly multi-dimensional at full-scale. However, the downcomer nodalization of input deck for large break loss of coolant accident used in advanced power reactor 1400 analyses are made up with 1-D model and improperly designed to describe realistic coolant phenomena during loss of coolant accident analysis. In this paper, the authors modified the nodalization of MARS code LBLOCA input deck and performed LBLOCA analysis with new input deck. From original LBLOCA input deck file, the nodalization of downcomer and junction connections with 4 cold legs and direct vessel injection lines are modified for reflecting the realistic cross-flow effect and real downcomer structure. The analysis results show that the peak cladding temperature of new input deck decreases more rapidly than previous result and that the drop of peak cladding temperature was advanced by application of momentum flux term in cross-flow. Additionally, the authors developed a new input deck with multi-dimensional downcomer model and ran MARS code with multi-dimensional input deck as well. By using the modified input deck, the Emergency core cooling system by-pass flow phenomena is better characterized and found to be consistent with both experimental report and regulatory guide.
International Nuclear Information System (INIS)
Abreu, Marcos P. de; Alves Filho, Hermes; Barros, Ricardo C.
2001-01-01
We describe hybrid spectral nodal methods for discrete ordinates (SN) eigenvalue problems in Cartesian geometry. These coarse-mesh methods are based on three ingredients: the use of the standard discretized spatial balance SN equations; the use of the non-standard spectral diamond (SD) auxiliary equations in the multiplying regions of the domain, e.g. fuel assemblies; and the use of the non-standard spectral Green's function (SGF) auxiliary equations in the non-multiplying regions of the domain, e.g., the reflector. In slab-geometry the hybrid SD-SGF method generates numerical results that are completely free of spatial truncation errors. In X,Y-geometry, we obtain a system of two 'slab-geometry' SN equations for the node-edge average angular fluxes by transverse-integrating the X,Y-geometry SN equations separately in the y- and then in the x-directions within an arbitrary node of the spatial grid set up on the domain. In this paper, we approximate the transverse leakage terms by constants. These are the only approximations considered in the SD-SGF-constant nodal method, as the source terms, that include scattering and eventually fission events, are treated exactly. We show numerical results to typical model problems to illustrate the accuracy of spectral nodal methods for coarse-mesh SN criticality calculations. (author)
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Strom, Eric A.; Woodward, Wendy A.; Katz, Angela; Buchholz, Thomas A.; Perkins, George H.; Jhingran, Anuja; Theriault, Richard; Singletary, Eva; Sahin, Aysegul; McNeese, Marsha D.
2005-01-01
Purpose: The purpose of this study was to describe regional nodal failure patterns in patients who had undergone mastectomy with axillary dissection to define subgroups of patients who might benefit from supplemental regional nodal radiation to the axilla or supraclavicular fossa/axillary apex. Methods and Materials: The cohort consisted of 1031 patients treated with mastectomy (including a level I-II axillary dissection) and doxorubicin-based systemic therapy without radiation on five clinical trials at M.D. Anderson Cancer Center. Patient records, including pathology reports, were retrospectively reviewed. All regional recurrences (with or without distant metastasis) were recorded. Median follow-up was 116 months (range, 6-262 months). Results: Twenty-one patients recurred within the low-mid axilla (10-year actuarial rate 3%). Of these, 16 were isolated regional failures (no chest wall failure). The risk of failure in the low-mid axilla was not significantly higher for patients with increasing numbers of involved nodes, increasing percentage of involved nodes, larger nodal size or gross extranodal extension. Only 3 of 100 patients with 20% involved axillary nodes, and the presence of gross extranodal extension (10-year actuarial rates 15%, 14%, and 19%, respectively, p 20% involved axillary nodes, or gross extranodal extension are at increased risk of failure in the supraclavicular fossa/axillary apex and should receive radiation to undissected regions in addition to the chest wall
Cuadros, Marta; Dave, Sandeep S; Jaffe, Elaine S; Honrado, Emiliano; Milne, Roger; Alves, Javier; Rodríguez, Jose; Zajac, Magdalena; Benitez, Javier; Staudt, Louis M; Martinez-Delgado, Beatriz
2007-08-01
Nodal peripheral T-cell lymphomas (PTCLs) constitute a heterogeneous group of neoplasms, suggesting the existence of molecular differences contributing to their histologic and clinical variability. Initial expression profiling studies of T-cell lymphomas have been inconclusive in yielding clinically relevant insights. We applied DNA microarrays to gain insight into the molecular signatures associated with prognosis. We analyzed the expression profiles of 35 nodal PTCLs (23 PTCLs unspecified and 12 angioimmunoblastic) using two different microarray platforms, the cDNA microarray developed at the Spanish National Cancer Centre and an oligonucleotide microarray. We identified five clusters of genes, the expression of which varied significantly among the samples. Genes in these clusters seemed to be functionally related to different cellular processes such as proliferation, inflammatory response, and T-cell or B-cell lineages. Regardless of the microarray platform used, overexpression of genes in the proliferation signature was associated significantly with shorter survival of patients. This proliferation signature included genes commonly associated with the cell cycle, such as CCNA, CCNB, TOP2A, and PCNA. Moreover the PTCL proliferation signature showed a statistically significant inverse correlation with clusters of the inflammatory response (P < .0001), as well as with the percentage of CD68(+) cells. Our findings indicate that proliferation could be an important factor in evaluating nodal PTCL outcome and may help to define a more aggressive phenotype.
International Nuclear Information System (INIS)
Delfin L, A.
1996-01-01
The purpose of this work is to solve the neutron transport equation in discrete-ordinates and X-Y geometry by developing and using the strong discontinuous and strong modified discontinuous nodal finite element schemes. The strong discontinuous and modified strong discontinuous nodal finite element schemes go from two to ten interpolation parameters per cell. They are describing giving a set D c and polynomial space S c corresponding for each scheme BDMO, RTO, BL, BDM1, HdV, BDFM1, RT1, BQ and BDM2. The solution is obtained solving the neutron transport equation moments for each nodal scheme by developing the basis functions defined by Pascal triangle and the Legendre moments giving in the polynomial space S c and, finally, looking for the non singularity of the resulting linear system. The linear system is numerically solved using a computer program for each scheme mentioned . It uses the LU method and forward and backward substitution and makes a partition of the domain in cells. The source terms and angular flux are calculated, using the directions and weights associated to the S N approximation and solving the angular flux moments to find the effective multiplication constant. The programs are written in Fortran language, using the dynamic allocation of memory to increase efficiently the available memory of the computing equipment. (Author)
Nodal Stage: Is It a Prognostic Factor for Submandibular Gland Cancer?
Liu, Yanbin; Qin, Lizheng; Zhuang, RunTao; Huang, Xin; Su, Ming; Han, Zhengxue
2017-11-21
Submandibular gland cancer is relatively rare. The purpose of this study was to estimate 5-year overall survival (OS) and disease-free survival (DFS) and to identify prognostic factors associated with OS and DFS for submandibular cancer. The authors implemented a retrospective cohort study and enrolled a sample of patients with submandibular gland cancer. The predictor variables were age, gender, tumor stage, nodal stage, margin status, and extracapsular spread. The outcome variables were 5-year OS and 5-year DFS. Kaplan-Meier methods were used to estimate survival and Cox hazards models were used to identify prognostic variables. The sample was composed of 52 patients with submandibular gland cancer (mean age, 47.4 yr; 51.9% men). The median follow-up was 81 months (range, 11 to 159 months). The 5-year OS and DFS rates were 76.9 and 67.3%, respectively. Fixed mass, positive neck node, and positive margin status were relevant predictors of OS and DFS. Nodal stage was the relevant independent predictor affecting the disease outcome of submandibular gland cancer. These results identified several important prognostic factors associated with survival rate in patients with submandibular gland cancer. These prognostic variables include symptoms at presentation, pathologic nodal status, and margin status. These outcomes suggest that heightening vigilance of clinical characteristics for this disease might provide the impetus for improving the survival rate. Copyright © 2017. Published by Elsevier Inc.
International Nuclear Information System (INIS)
Han, Tae-Jin; Kim, Hak-Jae; Wu, Hong-Gyun; Heo, Dae-Seog; Kim, Young-Whan; Lee, Se-Hoon
2012-01-01
The present study was performed to assess the usefulness of involved-field irradiation and the impact of 18 F-fluorodeoxyglucose-positron emission tomography-based staging on treatment outcomes in limited-stage small cell lung cancer. Eighty patients who received definitive chemoradiotherapy for limited-stage small cell lung cancer were retrospectively analyzed. Fifty patients were treated with involved-field irradiation, which means that the radiotherapy portal includes only clinically identifiable tumors. The other 30 patients were irradiated with a comprehensive portal, including uninvolved mediastinal and/or supraclavicular lymph nodes, so-called elective nodal irradiation. No significant difference was seen in clinical factors between the two groups. At a median follow-up of 27 months (range, 5-75 months), no significant differences were observed in 3 year overall survival (44.6 vs. 54.1%, P=0.220) and 3 year progression-free survival (24.4 vs. 42.8%, P=0.133) between the involved-field irradiation group and the elective nodal irradiation group, respectively. For patients who did not undergo positron emission tomography scans, 3 year overall survival (29.3 vs. 56.3%, P=0.022) and 3 year progression-free survival (11.0 vs. 50.0%, P=0.040) were significantly longer in the elective nodal irradiation group. Crude incidences of isolated nodal failure were 6.0% in the involved-field irradiation group and 0% in the elective nodal irradiation group, respectively. All isolated nodal failures were developed in patients who had not undergone positron emission tomography scans in their initial work-ups. If patients did not undergo positron emission tomography-based staging, the omission of elective nodal irradiation resulted in impaired survival outcomes and raised the risk of isolated nodal failure. Therefore, involved-field irradiation for limited-stage small cell lung cancer might be reasonable only with positron emission tomography scan implementation. (author)
Logarithmic exotic conformal Galilean algebras
Energy Technology Data Exchange (ETDEWEB)
Henkel, Malte, E-mail: Malte.henkel@univ-lorraine.fr [Groupe de Physique Statistique, Institut Jean Lamour (CNRS UMR 7198), Université de Lorraine Nancy, B.P. 70239, F-54506 Vandoeuvre-lès-Nancy Cedex (France); Hosseiny, Ali, E-mail: al_hosseiny@sbu.ac.ir [Department of Physics, Shahid Beheshti University, G.C. Evin, Tehran 19839 (Iran, Islamic Republic of); School of Particles and Accelerators, Institute for Research in Fundamental Sciences (IPM), P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of); Rouhani, Shahin, E-mail: rouhani@ipm.ir [Department of Physics, Sharif University of Technology, P.O. Box 11165-9161, Tehran (Iran, Islamic Republic of); School of Particles and Accelerators, Institute for Research in Fundamental Sciences (IPM), P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of)
2014-02-15
Logarithmic representations of the conformal Galilean algebra (CGA) and the Exotic Conformal Galilean algebra (ECGA) are constructed. This can be achieved by non-decomposable representations of the scaling dimensions or the rapidity indices, specific to conformal Galilean algebras. Logarithmic representations of the non-exotic CGA lead to the expected constraints on scaling dimensions and rapidities and also on the logarithmic contributions in the co-variant two-point functions. On the other hand, the ECGA admits several distinct situations which are distinguished by different sets of constraints and distinct scaling forms of the two-point functions. Two distinct realisations for the spatial rotations are identified as well. This is the first concrete example of a reducible, but non-decomposable representation, without logarithmic terms. Such cases had been anticipated before.
Conformal geometry and quasiregular mappings
Vuorinen, Matti
1988-01-01
This book is an introduction to the theory of spatial quasiregular mappings intended for the uninitiated reader. At the same time the book also addresses specialists in classical analysis and, in particular, geometric function theory. The text leads the reader to the frontier of current research and covers some most recent developments in the subject, previously scatterd through the literature. A major role in this monograph is played by certain conformal invariants which are solutions of extremal problems related to extremal lengths of curve families. These invariants are then applied to prove sharp distortion theorems for quasiregular mappings. One of these extremal problems of conformal geometry generalizes a classical two-dimensional problem of O. Teichmüller. The novel feature of the exposition is the way in which conformal invariants are applied and the sharp results obtained should be of considerable interest even in the two-dimensional particular case. This book combines the features of a textbook an...
Claidière, Nicolas; Bowler, Mark; Whiten, Andrew
2012-01-01
Conformity is thought to be an important force in cultural evolution because it has the potential to stabilize cooperation in large groups, potentiate group selection and thus explain uniquely human behaviors. However, the effects of such conformity on cultural and biological evolution will depend much on the way individuals are influenced by the frequency of alternative behavioral options witnessed. Theoretical modeling has suggested that only what we refer to as 'hyper-conformity', an exaggerated tendency to perform the most frequent behavior witnessed in other individuals, is able to increase within-group homogeneity and between-group diversity, for instance. Empirically however, few experiments have addressed how the frequency of behavior witnessed affects behavior. Accordingly we performed an experiment to test for the presence of conformity in a natural situation with humans. Visitors to a Zoo exhibit were invited to write or draw answers to questions on A5 cards and potentially win a small prize. We manipulated the proportion of existing writings versus drawings visible to visitors and measured the proportion of written cards submitted. We found a strong and significant effect of the proportion of text displayed on the proportion of text in the answers, thus demonstrating social learning. We show that this effect is approximately linear, with potentially a small, weak-conformist component but no hyper-conformist one. The present experiment therefore provides evidence for linear conformity in humans in a very natural context.
Epigenetic dominance of prion conformers.
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Eri Saijo
2013-10-01
Full Text Available Although they share certain biological properties with nucleic acid based infectious agents, prions, the causative agents of invariably fatal, transmissible neurodegenerative disorders such as bovine spongiform encephalopathy, sheep scrapie, and human Creutzfeldt Jakob disease, propagate by conformational templating of host encoded proteins. Once thought to be unique to these diseases, this mechanism is now recognized as a ubiquitous means of information transfer in biological systems, including other protein misfolding disorders such as those causing Alzheimer's and Parkinson's diseases. To address the poorly understood mechanism by which host prion protein (PrP primary structures interact with distinct prion conformations to influence pathogenesis, we produced transgenic (Tg mice expressing different sheep scrapie susceptibility alleles, varying only at a single amino acid at PrP residue 136. Tg mice expressing ovine PrP with alanine (A at (OvPrP-A136 infected with SSBP/1 scrapie prions propagated a relatively stable (S prion conformation, which accumulated as punctate aggregates in the brain, and produced prolonged incubation times. In contrast, Tg mice expressing OvPrP with valine (V at 136 (OvPrP-V136 infected with the same prions developed disease rapidly, and the converted prion was comprised of an unstable (U, diffusely distributed conformer. Infected Tg mice co-expressing both alleles manifested properties consistent with the U conformer, suggesting a dominant effect resulting from exclusive conversion of OvPrP-V136 but not OvPrP-A136. Surprisingly, however, studies with monoclonal antibody (mAb PRC5, which discriminates OvPrP-A136 from OvPrP-V136, revealed substantial conversion of OvPrP-A136. Moreover, the resulting OvPrP-A136 prion acquired the characteristics of the U conformer. These results, substantiated by in vitro analyses, indicated that co-expression of OvPrP-V136 altered the conversion potential of OvPrP-A136 from the S to
SUSY Unparticle and Conformal Sequestering
Energy Technology Data Exchange (ETDEWEB)
Nakayama, Yu; Nakayama, Yu
2007-07-17
We investigate unparticle physics with supersymmetry (SUSY). The SUSY breaking effects due to the gravity mediation induce soft masses for the SUSY unparticles and hence break the conformal invariance. The unparticle physics observable in near future experiments is only consistent if the SUSY breakingeffects from the hidden sector to the standard model sector are dominated by the gauge mediation, or if the SUSY breaking effects to the unparticle sector are sufficiently sequestered. We argue that the natural realization of the latter possibility is the conformal sequestering scenario.
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V. Martinez-Quiroga
2014-01-01
Full Text Available System codes along with necessary nodalizations are valuable tools for thermal hydraulic safety analysis. Qualifying both codes and nodalizations is an essential step prior to their use in any significant study involving code calculations. Since most existing experimental data come from tests performed on the small scale, any qualification process must therefore address scale considerations. This paper describes the methodology developed at the Technical University of Catalonia in order to contribute to the qualification of Nuclear Power Plant nodalizations by means of scale disquisitions. The techniques that are presented include the so-called Kv-scaled calculation approach as well as the use of “hybrid nodalizations” and “scaled-up nodalizations.” These methods have revealed themselves to be very helpful in producing the required qualification and in promoting further improvements in nodalization. The paper explains both the concepts and the general guidelines of the method, while an accompanying paper will complete the presentation of the methodology as well as showing the results of the analysis of scaling discrepancies that appeared during the posttest simulations of PKL-LSTF counterpart tests performed on the PKL-III and ROSA-2 OECD/NEA Projects. Both articles together produce the complete description of the methodology that has been developed in the framework of the use of NPP nodalizations in the support to plant operation and control.
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Tagor Malem Sembiring
2017-01-01
Full Text Available The in-house coupled neutronic and thermal-hydraulic (N/T-H code of BATAN (National Nuclear Energy Agency of Indonesia, NODAL3, based on the few-group neutron diffusion equation in 3-dimensional geometry using the polynomial nodal method, has been verified with static and transient PWR benchmark cases. This paper reports the verification of NODAL3 code in the NEA-NSC PWR uncontrolled control rods withdrawal at zero power benchmark. The objective of this paper is to determine the accuracy of NODAL3 code in solving the continuously slow and fast reactivity insertions due to single and group of control rod bank withdrawn while the power and temperature increment are limited by the Doppler coefficient. The benchmark is chosen since many organizations participated using various methods and approximations, so the calculation results of NODAL3 can be compared to other codes’ results. The calculated parameters are performed for the steady-state, transient core averaged, and transient hot pellet results. The influence of radial and axial nodes number was investigated for all cases. The results of NODAL3 code are in very good agreement with the reference solutions if the radial and axial nodes number is 2 × 2 and 2 × 18 (total axial layers, respectively.
Solution and study of nodal neutron transport equation applying the LTS{sub N}-DiagExp method
Energy Technology Data Exchange (ETDEWEB)
Hauser, Eliete Biasotto; Pazos, Ruben Panta [Pontificia Univ. Catolica do Rio Grande do Sul, Porto Alegre, RS (Brazil). Faculdade de Matematica]. E-mail: eliete@pucrs.br; rpp@mat.pucrs.br; Vilhena, Marco Tullio de [Pontificia Univ. Catolica do Rio Grande do Sul, Porto Alegre, RS (Brazil). Instituto de Matematica]. E-mail: vilhena@mat.ufrgs.br; Barros, Ricardo Carvalho de [Universidade do Estado, Nova Friburgo, RJ (Brazil). Instituto Politecnico]. E-mail: ricardo@iprj.uerj.br
2003-07-01
In this paper we report advances about the three-dimensional nodal discrete-ordinates approximations of neutron transport equation for Cartesian geometry. We use the combined collocation method of the angular variables and nodal approach for the spatial variables. By nodal approach we mean the iterated transverse integration of the S{sub N} equations. This procedure leads to the set of one-dimensional averages angular fluxes in each spatial variable. The resulting system of equations is solved with the LTS{sub N} method, first applying the Laplace transform to the set of the nodal S{sub N} equations and then obtained the solution by symbolic computation. We include the LTS{sub N} method by diagonalization to solve the nodal neutron transport equation and then we outline the convergence of these nodal-LTS{sub N} approximations with the help of a norm associated to the quadrature formula used to approximate the integral term of the neutron transport equation. (author)
Balasubramanian, Deepak; Ebrahimi, Ardalan; Gupta, Ruta; Gao, Kan; Elliott, Michael; Palme, Carsten E; Clark, Jonathan R
2014-12-01
To identify whether tumour thickness as a predictor of nodal metastases in oral squamous cell carcinoma differs between tongue and floor of mouth (FOM) subsites. Retrospective review of 343 patients treated between 1987 and 2012. The neck was considered positive in the presence of pathologically proven nodal metastases on neck dissection or during follow-up. There were 222 oral tongue and 121 FOM tumours. In patients with FOM tumours 2.1-4mm thick, the rate of nodal metastases was 41.7%. In contrast, for tongue cancers of a similar thickness the rate was only 11.2%. This increased to 38.5% in patients with tongue cancers that were 4.1-6mm thick. Comparing these two subsites, FOM cancers cross the critical 20% threshold of probability for nodal metastases between 1 and 2mm whereas tongue cancers cross the 20% threshold just under 4mm thickness. On logistic regression adjusting for relevant covariates, there was a significant difference in the propensity for nodal metastases based on tumour thickness according to subsite (p=0.028). Thin FOM tumours (2.1-4mm) have a high rate of nodal metastases. Elective neck dissection is appropriate in FOM tumours ⩾2mm thick and in tongue tumours ⩾4mm thick. Copyright © 2014 Elsevier Ltd. All rights reserved.
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Anistratov, Dmitriy Y.; Adams, Marvin L.; Palmer, Todd S.; Smith, Kord S.; Clarno, Kevin; Hikaru Hiruta; Razvan Nes
2003-01-01
OAK (B204) Final Report, NERI Project: ''An Innovative Reactor Analysis Methodology Based on a Quasidiffusion Nodal Core Model'' The present generation of reactor analysis methods uses few-group nodal diffusion approximations to calculate full-core eigenvalues and power distributions. The cross sections, diffusion coefficients, and discontinuity factors (collectively called ''group constants'') in the nodal diffusion equations are parameterized as functions of many variables, ranging from the obvious (temperature, boron concentration, etc.) to the more obscure (spectral index, moderator temperature history, etc.). These group constants, and their variations as functions of the many variables, are calculated by assembly-level transport codes. The current methodology has two main weaknesses that this project addressed. The first weakness is the diffusion approximation in the full-core calculation; this can be significantly inaccurate at interfaces between different assemblies. This project used the nodal diffusion framework to implement nodal quasidiffusion equations, which can capture transport effects to an arbitrary degree of accuracy. The second weakness is in the parameterization of the group constants; current models do not always perform well, especially at interfaces between unlike assemblies. The project developed a theoretical foundation for parameterization and homogenization models and used that theory to devise improved models. The new models were extended to tabulate information that the nodal quasidiffusion equations can use to capture transport effects in full-core calculations
Conformational preferences of γ-aminobutyric acid in the gas phase and in water
Song, Il Keun; Kang, Young Kee
2012-09-01
The conformational study of γ-aminobutyric acid (GABA) has been carried out at the M06-2X/cc-pVTZ level of theory in the gas phase and the SMD M06-2X/cc-pVTZ level of theory in water. In the gas phase, the folded conformation gG1 with gauche- and gauche+ conformations for the Cβsbnd Cα and Cγsbnd Cβ bonds, respectively, is found to be lowest in energy and enthalpy, which can be ascribed to the favored hyperconjugative n → π* interaction between the lone electron pair of the amine nitrogen atom and the Cdbnd O bond of the carboxylic group and the favored antiparallel dipole-dipole interaction between the Nsbnd H bond and the Cdbnd O bond. In addition, the intramolecular hydrogen bonds between the carboxylic group and the amine Nsbnd H group have contributed to stabilize some low-energy conformers. However, the most preferred conformation is found to be tG1 and more stable by 0.4 kcal/mol in ΔG than the conformer gG1, in which the favored entropic term due to the conformational flexibility and the other favored n → σ*, σ → σ*, and π → σ* interactions seem to play a role. The conformational preferences of the neutral GABA calculated by ΔG's are reasonably consistent with the populations deduced from FT microwave spectroscopy in supersonic jets combined with laser ablation. In water, the two folded conformers Gg and gG of the zwitterionic GABA are dominantly populated, each of which has the population of 47%, and the hydrogen bond between the ammonium Nsbnd H group and the lone electron pair of the Csbnd O- group seems to be crucial in stabilizing these conformers. Our calculated result that the folded conformers preferentially exist in water is consistent with the 1H NMR experiments in D2O.
Nodal involvement pattern in resectable lung cancer according to tumor location
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Saeteng S
2012-06-01
Full Text Available Somcharoen Saeteng,1 Apichat Tantraworasin,1 Juntima Euathrongchit,2 Nirush Lertprasertsuke,3 Yutthaphun Wannasopha21Department of Surgery, Faculty of Medicine, Chiang Mai University, Thailand, 2Department of Radiology, Faculty of Medicine, Chiang Mai University, Thailand, 3Department of Pathology, Faculty of Medicine, Chiang Mai University, ThailandAbstract: The aim in this study was to define the pattern of lymph node metastasis according to the primary tumor location. In this retrospective cohort study, each of the operable patients diagnosed with lung cancer was grouped by tumor mass location. The International Association for the Study of Lung Cancer nodal chart with stations and zones, established in 2009, was used to define lymph node levels. From 2006 to 2010, 197 patients underwent a lobectomy with systematic nodal resection for primary lung cancer at Chiang Mai University Hospital. There were 123 male and 74 female patients, with ages ranging from 16–85 years old and an average age of 61.31. Analyses of tumor location, histology type, and nodal metastasis were performed. The locations were the right upper lobe in 63 patients (31.98%, the right middle lobe in 18 patients (9.14%, the right lower lobe in 30 patients (15.23%, the left upper lobe in 55 patients (27.92%, the left lower lobe in 16 patients (8.12%, and mixed lobes (more than one lobe in 15 patients (7.61%. The mean tumor size was 4.45 cm in diameter (range 1.2–16.5 cm. Adenocarcinoma was the most common histological type, which occurred in 132 cases (67.01%, followed by squamous cell carcinoma in 41 cases (20.81%, bronchiolo alveolar cell carcinoma in nine cases (4.57%, and large cell carcinoma in seven cases (3.55%. Eighteen cases (9.6% had skip metastasis (mediastinal lymph node metastasis without hilar node metastasis. Adenocarcinoma and intratumoral lymphatic invasion were the predictors of mediastinal lymph node metastases. There were statistically significant
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Hilton Helen
2010-05-01
Full Text Available Abstract Background Vertebrates show clear asymmetry in left-right (L-R patterning of their organs and associated vasculature. During mammalian development a cilia driven leftwards flow of liquid leads to the left-sided expression of Nodal, which in turn activates asymmetric expression of the transcription factor Pitx2. While Pitx2 asymmetry drives many aspects of asymmetric morphogenesis, it is clear from published data that additional asymmetrically expressed loci must exist. Results A L-R expression screen identified the cytoskeletally-associated gene, actin binding lim protein 1 (Ablim1, as asymmetrically expressed in both the node and left lateral plate mesoderm (LPM. LPM expression closely mirrors that of Nodal. Significantly, Ablim1 LPM asymmetry was detected in the absence of detectable Nodal. In the node, Ablim1 was initially expressed symmetrically across the entire structure, resolving to give a peri-nodal ring at the headfold stage in a flow and Pkd2-dependent manner. The peri-nodal ring of Ablim1 expression became asymmetric by the mid-headfold stage, showing stronger right than left-sided expression. Node asymmetry became more apparent as development proceeded; expression retreated in an anticlockwise direction, disappearing first from the left anterior node. Indeed, at early somite stages Ablim1 shows a unique asymmetric expression pattern, in the left lateral plate and to the right side of the node. Conclusion Left LPM Ablim1 is expressed in the absence of detectable LPM Nodal, clearly revealing existence of a Pitx2 and Nodal-independent left-sided signal in mammals. At the node, a previously unrecognised action of early nodal flow and Pkd2 activity, within the pit of the node, influences gene expression in a symmetric manner. Subsequent Ablim1 expression in the peri-nodal ring reveals a very early indication of L-R asymmetry. Ablim1 expression analysis at the node acts as an indicator of nodal flow. Together these results make
Molecular mechanics conformational analysis of tylosin
Ivanov, Petko M.
1998-01-01
The conformations of the 16-membered macrolide antibiotic tylosin were studied with molecular mechanics (AMBER∗ force field) including modelling of the effect of the solvent on the conformational preferences (GB/SA). A Monte Carlo conformational search procedure was used for finding the most probable low-energy conformations. The present study provides complementary data to recently reported analysis of the conformations of tylosin based on NMR techniques. A search for the low-energy conformations of protynolide, a 16-membered lactone containing the same aglycone as tylosin, was also carried out, and the results were compared with the observed conformation in the crystal as well as with the most probable conformations of the macrocyclic ring of tylosin. The dependence of the results on force field was also studied by utilizing the MM3 force field. Some particular conformations were computed with the semiempirical molecular orbital methods AM1 and PM3.
Conformal mapping for multiple terminals
Wang, Weimin; Ma, Wenying; Wang, Qiang; Ren, Hao
2016-11-01
Conformal mapping is an important mathematical tool that can be used to solve various physical and engineering problems in many fields, including electrostatics, fluid mechanics, classical mechanics, and transformation optics. It is an accurate and convenient way to solve problems involving two terminals. However, when faced with problems involving three or more terminals, which are more common in practical applications, existing conformal mapping methods apply assumptions or approximations. A general exact method does not exist for a structure with an arbitrary number of terminals. This study presents a conformal mapping method for multiple terminals. Through an accurate analysis of boundary conditions, additional terminals or boundaries are folded into the inner part of a mapped region. The method is applied to several typical situations, and the calculation process is described for two examples of an electrostatic actuator with three electrodes and of a light beam splitter with three ports. Compared with previously reported results, the solutions for the two examples based on our method are more precise and general. The proposed method is helpful in promoting the application of conformal mapping in analysis of practical problems.
Supertwistor connection and conformal supergravity
International Nuclear Information System (INIS)
Merkulov, S.A.
1985-01-01
Supersymmetry expansion of the geometry of local twistors is suggested. Definition of the space of local supertwistors is given and its differential geometry is formulated. Variational principles are discussed, and it is shown that corresponding Euler-Lagrange equations also coincide and result in superzero equations of N=1 conformal supergravitation, which generalize Bach equations
Exceptional and Spinorial Conformal Windows
DEFF Research Database (Denmark)
Mojaza, Matin; Pica, Claudio; Ryttov, Thomas
2012-01-01
We study the conformal window of gauge theories containing fermionic matter fields, where the gauge group is any of the exceptional groups with the fermions transforming according to the fundamental and adjoint representations and the orthogonal groups where the fermions transform according...
Anomalous Dimensions of Conformal Baryons
DEFF Research Database (Denmark)
Pica, Claudio; Sannino, Francesco
2016-01-01
We determine the anomalous dimensions of baryon operators for the three color theory as function of the number of massless flavours within the conformal window to the maximum known order in perturbation theory. We show that the anomalous dimension of the baryon is controllably small, within...
Conformal symmetry and holographic cosmology
Bzowski, A.W.
2013-01-01
This thesis presents a novel approach to cosmology using gauge/gravity duality. Analysis of the implications of conformal invariance in field theories leads to quantitative cosmological predictions which are in agreement with current data. Furthermore, holographic cosmology extends the theory of
Energy Technology Data Exchange (ETDEWEB)
Ortega J, R.; Valle G, E. del [IPN-ESFM, 07738 Mexico D.F. (Mexico)]. e-mail: roj@correo.azc.uam.mx
2003-07-01
There are carried out charge and energy calculations deposited due to the interaction of electrons with a plate of a certain material, solving numerically the electron transport equation for the Boltzmann-Fokker-Planck approach of first order in plate geometry with a computer program denominated TEOD-NodExp (Transport of Electrons in Discreet Ordinates, Nodal Exponentials), using the proposed method by the Dr. J. E. Morel to carry out the discretization of the variable energy and several spatial discretization schemes, denominated exponentials nodal. It is used the Fokker-Planck equation since it represents an approach of the Boltzmann transport equation that is been worth whenever it is predominant the dispersion of small angles, that is to say, resulting dispersion in small dispersion angles and small losses of energy in the transport of charged particles. Such electrons could be those that they face with a braking plate in a device of thermonuclear fusion. In the present work its are considered electrons of 1 MeV that impact isotropically on an aluminum plate. They were considered three different thickness of plate that its were designated as problems 1, 2 and 3. In the calculations it was used the discrete ordinate method S{sub 4} with expansions of the dispersion cross sections until P{sub 3} order. They were considered 25 energy groups of uniform size between the minimum energy of 0.1 MeV and the maximum of 1.0 MeV; the one spatial intervals number it was considered variable and it was assigned the values of 10, 20 and 30. (Author)
Abelian conformal field theory and determinant bundles
DEFF Research Database (Denmark)
Andersen, Jørgen Ellegaard; Ueno, K.
2007-01-01
are up to a scale the same as the curvature of the connections constructed in [14, 16]. We study the sewing construction for nodal curves and its explicit relation to the constructed connections. Finally we construct preferred holomorphic sections of these line bundles and analyze their behaviour near...
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Luis E Ballesteros
2010-12-01
Full Text Available La expresión morfológica de las arterias nodales es relevante en el diagnóstico y manejo de eventos clínicos y en abordajes quirúrgicos del corazón. Se estudiaron 88 arterias nodales de corazones obtenidos como material de autopsia. Las arterias coronarias se inyectaron con resina poliéster pigmentada de color rojo. Se registraron las formas de presentación de las arterias nodales y sus características morfométricas. La arteria del nodo sinoatrial se originó de la coronaria derecha en 52 casos (59,1%, de la circunfleja en 33 corazones (37,35% y de ambas en 3 (3,4%. Su calibre proximal fue de 1,31 mm (± 0,3, correspondiente a las arterias originadas de la coronaria derecha de 1,25 mm (± 0,3 mientras que las que se originaron de la arteria circunfleja obtuvieron un calibre de 1,42 mm (± 0,3, siendo esta diferencia significativa (p= 0,01. Se originó con mayor frecuencia en el tercio anteromedial, tanto de la coronaria derecha como de la circunfleja (54,6% y 61,2% respectivamente. En su segmento final cruzó por delante de la desembocadura de la vena cava superior en la mayoría de los casos (44%, mientras que en 22 corazones (24,5% cursó alrededor de la cava. Se observó arteria en forma de «S» en 14 casos (15,9% del total de la muestra y 42,4% de las originadas de la arteria circunfleja. La arteria del nodo atrioventricular se originó del segmento en «U» invertida de la coronaria derecha, al nivel de la cruz cardiaca, en 81 corazones (92%, y presentó un calibre proximal de 1,06 mm (± 0,22. Con relación al calibre y al origen se evidencian hallazgos que coinciden con estudios previos. Se destaca la alta prevalencia de la arteria en forma de «S» y de la trayectoria de la arteria sinoatrial alrededor de la vena cava superior.The morphological expression of nodal arteries is important in the diagnosis and management of cardiac clinical events and surgical approaches. 88 nodal arteries of hearts obtained from autopsies were
Abo-Riziq, Ali; Grace, Louis; Crews, Bridgit; Callahan, Michael P,; van Mourik, Tanja; de Vries, Mattanjah S,
2011-01-01
We investigated the variation in conformation for the amino acid tyrosine (Y), alone and in the small peptides tyrosine-glycine (YC) and tyrosine-glycine-glycine (YGG), in the gas phase by using UV-UV and IR-UV double resonance spectroscopy and density functional theory calculations. For tyrosine we found seven different conformations, for YG we found four different conformations, and for YGG we found three different conformations. As the peptides get larger, we observe fewer stable conformers, despite the increasing complexity and number of degrees of freedom. We find structural trends similar to those in phenylalanine-glycine glycine (FGG) and tryptophan-glycine-glycine (WGG)j however) the effect of dispersive forces in FGG for stabilizing a folded structure is replaced by that of hydrogen bonding in YGG.
Conformational changes in actin induced by its interaction with gelsolin.
Khaitlina, S; Hinssen, H
1997-08-01
Actin cleaved by the protease from Escherichia coli A2 strain between Gly42 and Val43 (ECP-actin) is no longer polymerizable when it contains Ca2+ as a tightly bound cation, but polymerizes when Mg2+ is bound. We have investigated the interactions of gelsolin with this actin with regard to conformational changes in the actin molecule induced by the binding of gelsolin. ECP-(Ca)actin interacts with gelsolin in a manner similar to that in which it reacts with intact actin, and forms a stoichiometric 2:1 complex. Despite the nonpolymerizability of ECP-(Ca)actin, this complex can act as a nucleus for the polymerization of intact actin, thus indicating that upon interaction with gelsolin, ECP-(Ca)actin undergoes a conformational change that enables its interaction with another actin monomer. By gel filtration and fluorometry it was shown that the binding of at least one of the ECP-cleaved actins to gelsolin is considerably weaker than of intact actin, suggesting that conformational changes in subdomain 2 of actin monomer may directly or allosterically affect actin-gelsolin interactions. On the other hand, interaction with gelsolin changes the conformation of actin within the DNase I-binding loop, as indicated by inhibition of limited proteolysis of actin by ECP and subtilisin. Cross-linking experiments with gelsolin-nucleated actin filaments using N,N-phenylene-bismaleimide (which cross-links adjacent actin monomers between Cys374 and Lys191) reveal that gelsolin causes a significant increase in the yield of the 115-kDa cross-linking product, confirming the evidence that gelsolin stabilizes or changes the conformation of the C-terminal region of the actin molecule, and these changes are propagated from the capped end along the filament. These results allow us to conclude that nucleation of actin polymerization by gelsolin is promoted by conformational changes within subdomain 2 and at the C-terminus of the actin monomer.
Protein Conformational Plasticity: the 'off-on' Switching Movement in Cdk5
International Nuclear Information System (INIS)
Cavalli, Andrea; Recanatini, Maurizio; Berteotti, Anna; Branduardi, Davide; Gervasio, Francesco L.; Parrinello, Michele
2007-01-01
Cyclin-dependent kinases (CDKs) are mostly known for their role in the cell cycle regulation. The activation mechanism of all CDKs involves the association with a regulatory protein, generally a cyclin, that binds to the kinase unit and stabilizes a catalytically active conformation. Active and inactive conformations of CDKs are characterized by the different spatial localization of two typical elements, namely the activation loop and an □-helix, whose amino-acid composition varies throughout the family
International Nuclear Information System (INIS)
Lee, Joo Hee
2006-02-01
There is growing interest in developing pebble bed reactors (PBRs) as a candidate of very high temperature gas-cooled reactors (VHTRs). Until now, most existing methods of nuclear design analysis for this type of reactors are base on old finite-difference solvers or on statistical methods. But for realistic analysis of PBRs, there is strong desire of making available high fidelity nodal codes in three-dimensional (r,θ,z) cylindrical geometry. Recently, the Analytic Function Expansion Nodal (AFEN) method developed quite extensively in Cartesian (x,y,z) geometry and in hexagonal-z geometry was extended to two-group (r,z) cylindrical geometry, and gave very accurate results. In this thesis, we develop a method for the full three-dimensional cylindrical (r,θ,z) geometry and implement the method into a code named TOPS. The AFEN methodology in this geometry as in hexagonal geometry is 'robus' (e.g., no occurrence of singularity), due to the unique feature of the AFEN method that it does not use the transverse integration. The transverse integration in the usual nodal methods, however, leads to an impasse, that is, failure of the azimuthal term to be transverse-integrated over r-z surface. We use 13 nodal unknowns in an outer node and 7 nodal unknowns in an innermost node. The general solution of the node can be expressed in terms of that nodal unknowns, and can be updated using the nodal balance equation and the current continuity condition. For more realistic analysis of PBRs, we implemented em Marshak boundary condition to treat the incoming current zero boundary condition and the partial current translation (PCT) method to treat voids in the core. The TOPS code was verified in the various numerical tests derived from Dodds problem and PBMR-400 benchmark problem. The results of the TOPS code show high accuracy and fast computing time than the VENTURE code that is based on finite difference method (FDM)
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Yartsev Slav
2008-01-01
Full Text Available Abstract Background To compare two strategies of dynamic intensity modulated radiation therapy (dIMRT with 3-dimensional conformal radiation therapy (3DCRT in the setting of hypofractionated high-risk prostate cancer treatment. Methods 3DCRT and dIMRT/Helical Tomotherapy(HT planning with 10 CT datasets was undertaken to deliver 68 Gy in 25 fractions (prostate and simultaneously delivering 45 Gy in 25 fractions (pelvic lymph node targets in a single phase. The paradigms of pelvic vessel targeting (iliac vessels with margin are used to target pelvic nodes and conformal normal tissue avoidance (treated soft tissues of the pelvis while limiting dose to identified pelvic critical structures were assessed compared to 3DCRT controls. Both dIMRT/HT and 3DCRT solutions were compared to each other using repeated measures ANOVA and post-hoc paired t-tests. Results When compared to conformal pelvic vessel targeting, conformal normal tissue avoidance delivered more homogenous PTV delivery (2/2 t-test comparisons; p dose, 1–3 Gy over 5/10 dose points; p Conclusion dIMRT/HT nodal and pelvic targeting is superior to 3DCRT in dose delivery and critical structure sparing in the setting of hypofractionation for high-risk prostate cancer. The pelvic targeting paradigm is a potential solution to deliver highly conformal pelvic radiation treatment in the setting of nodal location uncertainty in prostate cancer and other pelvic malignancies.
Tetrazole acetic acid: Tautomers, conformers, and isomerization
Energy Technology Data Exchange (ETDEWEB)
Araujo-Andrade, C. [Unidad Académica de Física de la Universidad Autónoma de Zacatecas, Zacatecas (Mexico); Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Reva, I., E-mail: reva@qui.uc.pt; Fausto, R. [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal)
2014-02-14
Monomers of (tetrazol-5-yl)-acetic acid (TAA) were obtained by sublimation of the crystalline compound and the resulting vapors were isolated in cryogenic nitrogen matrices at 13 K. The conformational and tautomeric composition of TAA in the matrix was characterized by infrared spectroscopy and vibrational calculations carried out at the B3LYP/6-311++G(d,p) level. TAA may adopt two tautomeric modifications, 1H- and 2H-, depending on the position of the annular hydrogen atom. Two-dimensional potential energy surfaces (PESs) of TAA were theoretically calculated at the MP2/6-311++G(d,p) level, for each tautomer. Four and six symmetry-unique minima were located on these PESs, for 1H- and 2H-TAA, respectively. The energetics of the detected minima was subsequently refined by calculations at the QCISD level. Two 1H- and three 2H-conformers fall within the 0–8 kJ mol{sup −1} energy range and should be appreciably populated at the sublimation temperature (∼330 K). Observation of only one conformer for each tautomer (1ccc and 2pcc) is explained in terms of calculated barriers to conformational rearrangements. All conformers with the cis O=COH moiety are separated by low barriers (less than 10 kJ mol{sup −1}) and collapse to the most stable 1ccc (1H-) and 2pcc (2H-) forms during deposition of the matrix. On the trans O=COH surfaces, the relative energies are very high (between 12 and 27 kJ mol{sup −1}). The trans forms are not thermally populated at the sublimation conditions and were not detected in matrices. One high-energy form in each tautomer, 1cct (1H-) and 2pct (2H-), was found to differ from the most stable form only by rotation of the OH group and separated from other forms by high barriers. This opened a perspective for their stabilization in a matrix. 1cct and 2pct were generated in the matrices selectively by means of narrow-band near-infrared (NIR) irradiations of the samples at 6920 and 6937 cm{sup −1}, where the first OH stretching overtone
Are neck nodal volumes drawn on CT slices covered by standard three-field technique?
Sanguineti, Giuseppe; Culp, Laura R; Endres, Eugene J; Bayouth, John E
2004-07-01
Several definitions have been proposed in the past few years on how to contour the various neck nodal levels on CT slices. However, whether the resulting nodal volumes would have been covered by standard techniques is unknown. The purpose of this study was to clarify this issue. Eight patients (N0-N1) with head-and-neck cancer from various primary sites referred to us for definitive radiotherapy were included in this study. Two observers contoured the level Ib-V neck nodal volumes on planning CT according to seven reported definitions. Each observer also drew blocks on digitally reconstructed radiographs for the initial (on-cord) phase of a standard three-field technique (parallel opposed lateral fields and AP supraclavicular field) for three different clinical settings: "medium" larynx (to cover upper, mid, and low jugular nodes), "big" larynx (same as for medium, plus posterior cervical nodes), and "tonsil" (same as for big plus retropharyngeal nodes). Fields blocks were concentrically reduced 5 mm in all directions as a surrogate for the clinical target volume to planning target volume expansion. A plan was created for each of the clinical settings, delivering 2 Gy to the International Commission on Radiation Units and Measurements reference point. The coverage of the nodal levels according to the various definitions was investigated throughout the analysis of the volume receiving 50%, 80%, and 95% of the prescribed dose (V(50), V(80), and V(95), respectively) and dose covering at least 95% of the volume (D(95)) values extracted from their cumulative dose-volume histograms in the three clinical settings. The V(50) coverage of levels III and IV was adequate for all definitions and trials. For level V, about 3-5% of the volume was outside the 50% isodose of those trials that targeted the posterior cervical chain. Coverage of level Ib was highly dependent on the definition, with up to 21% of the volume outside the standard tonsillar fields. For level II, although
Conformational analysis and circular dichroism of bilirubin, the yellow pigment of jaundice
Lightner, David A.; Person, Richard; Peterson, Blake; Puzicha, Gisbert; Pu, Yu-Ming; Bojadziev, Stefan
1991-06-01
Conformational analysis of (4Z, 15Z)-bilirubin-IX(alpha) by molecular mechanics computations reveals a global energy minimum folded conformation. Powerful added stabilization is achieved through intramolecular hydrogen bonding. Theoretical treatment of bilirubin as a molecular exciton predicts an intense bisignate circular dichroism spectrum for the folded conformation: (Delta) (epsilon) is congruent to 270 L (DOT) mole-1 (DOT) cm-1 for the $OM450 nm electronic transition(s). Synthesis of bilirubin analogs with propionic acid groups methylated at the (alpha) or (beta) position introduces an allosteric effect that allows for an optical resolution of the pigments, with enantiomers exhibiting the theoretically predicted circular dichroism.