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223 results on '"Reuter N"'

2. Extraction and analysis of free amino acids and 5′-nucleotides, the key contributors to the umami taste of seaweed

Author

Moerdijk-Poortvliet, T.C.W., de Jong, D.L.C., Fremouw, R., de Reu, S., de Winter, J.M., Timmermans, K., Mol, G., Reuter, N., Derksen, G.C.H., Moerdijk-Poortvliet, T.C.W., de Jong, D.L.C., Fremouw, R., de Reu, S., de Winter, J.M., Timmermans, K., Mol, G., Reuter, N., and Derksen, G.C.H.

Abstract

Assessing the umami taste of seaweed on a chemical level can inform the use and selection of seaweed in European cuisine. Accordingly, we developed a method for the simultaneous extraction, separate clean-up and analysis of 21 free amino acids and 10 free nucleotides by reversed phase and mixed-mode HPLC respectively. Of multiple mouth emulating solvents, extracting in Milli-Q at 35 °C was found most suitable. This method showed good linearity (R2 > 0.9996), resolution (Rs ≥ 1.5) and picomole detection limits, and was successfully applied to determine the Equivalent Umami Concentration (EUC) and Taste Activity Values (TAV) of seven Dutch seaweed species. Phaeophyceae showedthe highest EUC, followed by Chlorophyceae and Rhodophyceae (≈ 9.5, 3.7 and 1.1 g/100 g respectively). Glutamic acid always exceeded the TAV, while other umami compounds were species specific. Our method can accurately predict umami intensity and therefore contributes towards species selection for the European palette.

Published
2022

9. Calibration of the quantum/classical Hamiltonian in semiempirical QM/MM AM1 and PM3 methods

Author

Luque, F.J., Reuter, N., Cartier, A., and Ruiz-Lopez, M.F.

Subjects
Water -- Research, Hamiltonian function -- Analysis, Quantum theory -- Research, Chemicals, plastics and rubber industries
Abstract

A theoretical study on the calibration of the semiempirical quantum mechanical/molecular mechanical Hamiltonian for the interaction of a series of functional groups with a TIP3P water molecule is reported. AM1 and PM3 methods are employed to describe the quantum mechanical groups.

Published
2000

13. Subamorphous Thermal Conductivity of Crystalline Half-Heusler Superlattices.

Author

Chavez-Angel, E., Reuter, N., Komar, P., Heinz, S., Kolb, U., Kleebe, H.-J., and Jakob, G.

Subjects
*THERMAL conductivity, *SUPERLATTICES, *PHONONS, *TITANIUM, *THERMOELECTRIC generators
Abstract

The quest to improve the thermoelectric figure of merit has mainly followed the roadmap of lowering the thermal conductivity while keeping unaltered the power factor of the material. Ideally an electron-crystal phonon-glass system is desired. In this work, we report an extraordinary reduction of the cross-plane thermal conductivity in crystalline (TiNiSn):(HfNiSn) half-Heusler superlattices (SLs). We create SLs with thermal conductivities below the effective amorphous limit, which is kept in a large temperature range (120-300 K). We measured thermal conductivity at room temperature values as low as 0.75 W m−1 K−1, the lowest thermal conductivity value reported so far for half-Heusler compounds. By changing the deposition conditions, we also demonstrate that the thermal conductivity is highly impacted by the way the single segments of the SL grow. These findings show a huge potential for thermoelectric generators where an extraordinary reduction of the thermal conductivity is required but without losing the crystal quality of the system [ABSTRACT FROM AUTHOR]

Published
2019
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16. Agranulocytosis associated with cocaine use--four states, March 2008-November 2009

Author

Brackney, M., Baumbach, J., Ewers, C., Martinez, A.L., Hagan, J., Czuchlewski, D., Foucar, K., Fekrazad, M.H., Seifert, S.A., Rimple, D., Nolte, K.B., Buchanan, J.A., Lavonas, E.J., Nelson, C., Wood, R.W., Duchin, J.S., VanEenwyk, J., Reuter, N., Ta, M.L., and Vagi, S.

Subjects
Company distribution practices, Drug abuse -- Risk factors, Agranulocytosis -- Distribution, Granulocytopenia -- Distribution
Abstract

In April 2008, a clinical reference laboratory in New Mexico notified the New Mexico Department of Health (NMDOH) of a cluster of unexplained agranulocytosis cases confirmed by bone marrow histopathology [...]

Published
2009

23. Frühnachweis einer hepatobiliären Beteiligung bei Kindern mit Mukoviszidose mit Hilfe der Duplexsonographie des Portalsystems

Author

Hasmann R, Grunert D, Stern M, and Reuter N

Subjects
medicine.medical_specialty, Pathology, business.industry, Hepatobiliary disease, Blood flow, medicine.disease, Gastroenterology, Mesenteric Vein, Liver disease, medicine.anatomical_structure, Splenic vein, Internal medicine, Pediatrics, Perinatology and Child Health, Medicine, Portal hypertension, Superior mesenteric vein, business, Artery
Abstract

To investigate early signs of hepatobiliary disease in CF, we measured portal, splenic, superior mesenteric vein and hepatic artery diameters, maximal flow velocity (Vmax) and time average velocity (TAV) in 25 males and 17 females with CF. Hepatic artery resistance, regional blood flow and liver perfusion were calculated. According to liver enzyme data (aminotransferases raised greater than 30 U/l) and sonographic findings (nodular changes), there were 17 CF-patients (mean age 11.4 yrs; range 0.75-31) with and 25 CF-patients (mean age 7.8 yrs; range 0.25-32) without liver involvement (L+/L-). No patient had clinical signs of portal hypertension. 61 healthy children were studied for control. Diameter of portal vein (PVD) and flow data for portal vein showed consistent abnormalities (mean +/- SD): CF-L+ CF-L- Control PVC (mm/m2) 10.7 +/- 3.9*** 10.5 +/- 3.4*** 7.2 +/- 1.3 Vmax (m/sec) 0.23 +/- 0.06*** 0.30 +/- 0.06*** 0.40 +/- 0.14 TAV (m/sec) 0.12 +/- 0.04*** 0.16 +/- 0.04* 0.18 +/- 0.05 Differences were statistically significant (* p less than 0.05, *** p less than 0.001) for CF-patients versus controls. Data for splenic and mesenteric veins and for hepatic artery were moderately alterated, with a significant reduction in TAV and Vmax of splenic vein for CF-L+ versus controls. Liver perfusion and portal vein flow showed no relevant differences in CF-patients versus controls. It is concluded that portal system abnormalities, especially a decrease in Vmax and TAV of portal vein shown by duplex sonography, may be earlier indicators of CF liver disease than biochemical and clinical signs.

Published
1991

33. Comparison of progression-free survival (PFS) with best or confirmed response (BR, CR) as an endpoint for overall survival (OS) in advanced non small cell lung cancer (A-NSCLC): A North Central Cancer Treatment Group (NCCTG) investigation

Author

Mandrekar, S. J., primary, Hillman, S. L., additional, Ziegler, K. L. Allen, additional, Reuter, N. F., additional, Rowland, K. M., additional, Marks, R. S., additional, Schild, S. E., additional, and Adjei, A. A., additional

Published
2008
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47. How Important is the Integration of Public Passenger Transport

Author

Mrníková Michaela, Poliak Miloš, Šimurková Patrícia, Hernandez Salvador, and Reuter Norbert

Subjects
integration, public passenger transport, political phase, strategic phase, realization phase, Transportation engineering, TA1001-1280
Abstract

The significance of the issue of an effective mode of passenger transport is currently increasing. On the one hand, there is the increasing economic demand of public passenger transport, on the other hand, there is the growing traffic share of individual automobile transport. The objective of the paper is to analyze public passenger transport without mutual integration of individual transport systems resulting in the fact that it is not sufficiently able to compete with individual automobile transport. It is proposed the integration of different modes of public passenger transport as a way to increase the competitiveness of public passenger transport. Aim of this paper is to analyze the individual elements of integration systems and describe why integration of public passenger transport systems is needed.

Published
2017
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48. Evaluation of the continuous infusion of etoposide plus cisplatin in metastatic breast cancer. A collaborative North Central Cancer Treatment Group/Mayo Clinic phase II study.

Author

Krook, James E., Loprinzi, Charles L., Schaid, Daniel J., Kardinal, Carl G., Mailliard, James A., Pfeifle, Delano M., Ellison, Neil M., Reuter, Nicholas F., Nelimark, Robert A., Krook, J E, Loprinzi, C L, Schaid, D J, Kardinal, C G, Mailliard, J A, Pfeifle, D M, Ellison, N M, Reuter, N F, and Nelimark, R A

Published
1990
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49. Green Fluorescent Proteins:  Empirical Force Field for the Neutral and Deprotonated Forms of the Chromophore. Molecular Dynamics Simulations of the Wild Type and S65T Mutant

Author

Reuter, N., Lin, H., and Thiel, W.

Abstract

CHARMM force field parameters are reported for the neutral and anionic form of the p-hydroxybenzylideneimidazolinone chromophore of green fluorescent protein (GFP). They were derived by fitting against ab initio (RHF/6-31G*) and density functional (B3LYP/6-31G*) reference data for the isolated chromophore model compounds and their complexes with water. More specifically, the parameters for the bonded interactions were calibrated against B3LYP geometries and rotational barriers of the model compounds, the atomic charges for the nonbonded Coulomb interactions were fitted against RHF geometries and binding energies of the complexes, and the van der Waals parameters were taken from related CHARMM residues. The optimized parameters reproduce the reference data well. For further validation, molecular dynamics (MD) simulations were carried out for wild-type GFP with a neutral chromophore and for the S65T mutant with an anionic chromophore. The average MD structures from 400 ps production runs are generally in reasonable agreement with the available X-ray structures, e.g., concerning the geometry of the chromophore in the protein and the hydrogen bonding network around the chromophore. In some aspects, however, the present MD simulations differ from the published X-ray results:  in particular, they raise the issue whether the residue Glu222 might be deprotonated in the S65T mutant, contrary to the conclusions from the X-ray work.

Published
2002
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50. Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

Author

Reuter, N., Dejaegere, A., Maigret, B., and Karplus, M.

Abstract

A major complication in hybrid QM/MM methods is the treatment of the frontier between the quantum part, describing the reactive region, and the classical part, describing the environment. Two approaches to this problem, the “link atom” method and the “local self-consistent field” (LSCF) formalism, are compared in this paper. For this purpose, the LSCF formalism has been introduced into the CHARMM program. A detailed description of the two approaches is presented. The results of semiempirical calculations of deprotonation enthalpies and proton affinities of propanol and a tripeptide with different treatments of the frontier bond are compared. Particular emphasis is placed on the effect of an external charge. It is shown that the choice of the QM/MM electronic interactions included in the frontier region is of considerable importance in determining the electron distribution of the QM region and the overall energy. The link atom and LSCF methods are generally of similar accuracy if care is taken in the choice of the frontier between the QM and MM regions. QM and QM/MM geometry optimizations of ethane and butane are also compared. The introduction of a link atom in the frontier bond is shown to lead to distortions of the internal coordinates unless the frontier bond is treated in a special way. A number of practical points concerning the choice of the frontier between the QM and MM regions are presented. It is not advisable to remove classical charges from the interactions with a subset of the quantum atoms, as this can introduce significant errors in the energy computations. The presence of a large charge on the classical atom involved in the QM/MM frontier also adversely influences the energy, especially with the LSCF method, and it is therefore advised to select classical frontier atoms with small charges. Charged atoms which are not directly bound to the QM frontier but which are in its proximity are also shown to be a source of errors, and it is advised to introduce warning messages in QM-MM codes when such a situation arises.

Published
2000

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