| 1. |
- Jönsson, Karl, et al.
(författare)
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Glomerular filtration rate in patients with atrial fibrillation on warfarin treatment: A subgroup analysis from the AURICULA registry in Sweden.
- 2011
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Ingår i: Thrombosis Research. - : Elsevier BV. - 1879-2472 .- 0049-3848. ; 128:4, s. 341-345
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Tidskriftsartikel (refereegranskat)abstract
- INTRODUCTION: Numerous associations between chronic kidney disease (CKD) and atrial fibrillation (AF) have been reported and patients with CKD on anticoagulation therapy have an increased risk of bleeding. Currently, new anticoagulant agents are emerging in clinical practice, some of which are excreted by the kidneys. The proportion of AF patients on anticoagulant treatment with reduced renal function is, however, unknown. MATERIALS AND METHODS: Using AURICULA, a Swedish registry for anticoagulation, estimated glomerular filtration rate (eGFR) was investigated in AF patients on warfarin treatment (n=2,603). The study group was compared with a healthy sample from the population (n=2,261). Two different creatinine prediction equations were used for calculating eGFR: the Lund-Malmö (LM) and MDRD Study equation. RESULTS: The fraction of AF patients with eGFR <30 and <45ml/min/1.73m(2) were 8.1% and 22.9% with the LM and 4.3% and 16.3% with the MDRD equation, respectively, and significantly higher than corresponding values in the reference population. GFR decreased with increasing age, where 11.4% and 5.6% of AF patients aged≥75years had eGFR <30ml/min/1.73m(2) according to the LM and MDRD equations, respectively. CONCLUSIONS: Severe renal impairment is common among AF patients on anticoagulant treatment with warfarin, especially at higher ages. Monitoring of renal function should be implemented in clinical practice for AF patients treated with new anticoagulants eliminated by the kidneys.
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| 2. |
- Nyman, Erika, et al.
(författare)
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Hyaluronic acid, an important factor in the wound healing properties of amniotic fluid: In vitro studies of re-epithelialisation in human skin wounds
- 2013
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Ingår i: Journal of Plastic Surgery and Hand Surgery. - : Informa Healthcare. - 2000-656X .- 2000-6764. ; 47:2, s. 89-92
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Tidskriftsartikel (refereegranskat)abstract
- Foetal wounds are unique in their ability to heal rapidly without forming scars. The amniotic fluid, rich in nutrients, growth factors, and hyaluronic acid, surrounds the foetus and is essential to foetal wound healing. The wound healing properties of foetal wounds may be the result of high concentrations of hyaluronic acid. This study aimed to verify that amniotic fluid induces re-epithelialisation in human skin wounds in vitro and to study whether this ability is dependent on hyaluronic acid. Standard deep dermal wounds were produced in vitro in human skin. The skin samples, with a central wound, were incubated in different culture media. Varying concentrations of amniotic fluid and amniotic fluid with added hyaluronidase were tested, and re-epithelialisation was assessed at 3, 7, and 12 days using light microscopy, after staining with haematoxylin and eosin. Amniotic fluid 50% resulted in a significantly higher (p andlt; 0.05) grade of re-epithelialisation than Dulbeccos modified Eagles medium and 10% amniotic fluid at all time points. When 50% amniotic fluid was compared with 10% foetal calf serum, no significant difference was found in grades of re-epithelialisation on days 3 and 12 and significantly higher grades of re-epithelialisation on day 7 (p andlt; 0.05). Degradation of hyaluronic acid in the medium that contained 50% amniotic fluid gave significantly impaired re-epithelialisation (p andlt; 0.05) on culture days 3 and 7. In conclusion, amniotic fluid promotes accelerated re-epithelialisation and hyaluronic acid is an important ingredient.
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| 3. |
- Wakelam, V., et al.
(författare)
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A KINETIC DATABASE FOR ASTROCHEMISTRY (KIDA)
- 2012
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Ingår i: Astrophysical Journal Supplement Series. - : American Astronomical Society. - 0067-0049 .- 1538-4365. ; 199:1, s. 21-
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Tidskriftsartikel (refereegranskat)abstract
- We present a novel chemical database for gas-phase astrochemistry. Named the KInetic Database for Astrochemistry (KIDA), this database consists of gas-phase reactions with rate coefficients and uncertainties that will be vetted to the greatest extent possible. Submissions of measured and calculated rate coefficients are welcome, and will be studied by experts before inclusion into the database. Besides providing kinetic information for the interstellar medium, KIDA is planned to contain such data for planetary atmospheres and for circumstellar envelopes. Each year, a subset of the reactions in the database (kida.uva) will be provided as a network for the simulation of the chemistry of dense interstellar clouds with temperatures between 10 K and 300 K. We also provide a code, named Nahoon, to study the time-dependent gas-phase chemistry of zero-dimensional and one-dimensional interstellar sources.
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| 4. |
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| 5. |
- Antipov, Sergey V., 1986, et al.
(författare)
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Spin-orbit and rotational couplings in radiative association of C((3)P) and N((4)S) atoms.
- 2011
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Ingår i: The Journal of chemical physics. - : AIP Publishing. - 1089-7690 .- 0021-9606. ; 135:18
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Tidskriftsartikel (refereegranskat)abstract
- The role of spin-orbit and rotational couplings in radiative association of C((3)P) and N((4)S) atoms is investigated. Couplings among doublet electronic states of the CN radical are considered, giving rise to a 6-state model of the process. The solution of the dynamical problem is based on the L(2) method, where a complex absorbing potential is added to the Hamiltonian operator in order to treat continuum and bound levels in the same manner. Comparison of the energy-dependent rate coefficients calculated with and without spin-orbit and rotational couplings shows that the couplings have a strong effect on the resonance structure and low-energy baseline of the rate coefficient.
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| 6. |
- Björk, Jonas, et al.
(författare)
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A new tool for predicting the probability of chronic kidney disease from a specific value of estimated GFR.
- 2010
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Ingår i: Scandinavian Journal of Clinical and Laboratory Investigation. - : Informa UK Limited. - 1502-7686 .- 0036-5513. ; Jul 1, s. 327-333
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Tidskriftsartikel (refereegranskat)abstract
- Abstract Objective. To demonstrate how patients' probability of having chronic kidney disease (CKD) stage 3-5 (measured GFR <60 mL/min/1.73 m(2)) can be predicted from a specific value of estimated glomerular filtration rate (eGFR). Material and methods. The probability of CKD stage 3-5 was predicted from a logistic regression model (n = 850) using three different eGFR prediction equations: Lund-Malmö, MDRD and CKD-EPI. Population weighting was used to illustrate how this probability varies in three different populations: original sample (55% true prevalence of CKD stage 3-5), a screening (6.7% prevalence) and a CKD population (84% prevalence). Results. All three eGFR-equations had high classification ability (area under the receiver-operating-characteristic curve = 97%). The probability of CKD stage 3-5 increased with decreasing eGFR, varied substantially among the populations studied and to some extent between the eGFR-equations. Using the Lund-Malmö equation as illustration, the probability of CKD stage 3-5 is > 90% only when eGFR is <38 mL/min/1.73 m(2) in a screening population, whereas it is > 90% already when eGFR is <51 mL/min/1.73 m(2) in a CKD population. Conversely, the probability of CKD stage 3-5 is <10% if eGFR > 59 mL/min/1.73 m(2) in a screening population, whereas it is <10% only when eGFR is > 88 mL/min/1.73 m(2) in a CKD population. Conclusion. Instead of reporting diagnostic accuracy as sensitivity, specificity, and predictive values, actual eGFR supplemented with the probability that it represents a true GFR <60 mL/min/1.73 m(2) may be more valuable for physicians. Clinical (pre-test) probability in the population must be considered when predicting this probability.
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| 7. |
- Björk, Jonas, et al.
(författare)
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Revised equations for estimating glomerular filtration rate based on the Lund-Malmö Study cohort.
- 2011
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Ingår i: Scandinavian Journal of Clinical and Laboratory Investigation. - : Informa UK Limited. - 1502-7686 .- 0036-5513. ; 71, s. 232-239
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Tidskriftsartikel (refereegranskat)abstract
- Abstract Objective. To increase the accuracy of estimated GFR (eGFR) from creatinine overall and at measured GFR ≥90 mL/min per 1.73 m(2) by revising the Lund-Malmö (LM) equations, to elaborate on more complex forms to improve the LM and CKD-EPI equations further, and to assess benefits of adding lean body mass (LBM). Material and methods. Swedish Caucasians (n = 850, 376 women; median 60, range 18-95 years) referred for GFR measurement (plasma iohexol-clearance: median 55, range 5-173 mL/min/1.73 m(2)) constituted the Lund-Malmö Study cohort. Bias, precision, accuracy, expressed as median absolute percentage difference and percentage of estimates ±10% (P(10)) and ±30% (P(30)) of measured GFR, and classification ability with respect to five GFR stages were compared with the original LM, CKD-EPI and MDRD equations. Results. LM Revised overall performed better than LM Original without LBM due to increased accuracy at measured GFR ≥90 mL/min/1.73 m(2). Further extensions of the CKD-EPI or LM equations did not substantially improve overall performance. In particular, the performance of LM Revised at measured GFR ≥90 mL/min/1.73 m(2) could not be improved further without decreasing accuracy and classification ability at lower GFR-levels. Adding LBM to the equations had no strong effect on accuracy. Conclusion. Comparisons with the CKD-EPI and MDRD equations suggest that the LM equations are superior for the present Swedish population, due to markedly higher accuracy of the LM equations at measured GFR <30 mL/min/1.73 m(2). However, the LM equations cannot be recommended for use in general clinical practice until validated in other populations.
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| 8. |
- Brännmark, Cecilia, et al.
(författare)
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Insulin Signaling in Type 2 Diabetes : Experimental and Modeling Analyses Reveal Mechanisms of Insulin Resistance in Human Adipocytes
- 2013
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Ingår i: Journal of Biological Chemistry. - 0021-9258 .- 1083-351X. ; 288:14, s. 9867-9880
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Tidskriftsartikel (refereegranskat)abstract
- Type 2 diabetes originates in an expanding adipose tissue that for unknown reasons becomes insulin resistant. Insulin resistance reflects impairments in insulin signaling, but mechanisms involved are unclear because current research is fragmented. We report a systems-level mechanistic understanding of insulin resistance in humans. We developed a dynamic mathematical model of insulin signaling – normally and in diabetes – based on quantitative steady-state and dynamic time-course data on signaling intermediaries in human mature adipocytes. At the core of insulin resistance is attenuation of a positive feedback from mammalian target of rapamycin in complex with raptor (mTORC1) to the insulin receptor substrate-1 (IRS1), which explains reduced sensitivity and signal strength throughout the signaling network. We demonstrate the potential of the model for identification of drug targets, e.g. increasing the feedback restores insulin signaling. Our findings suggest that insulin resistance in an expanded adipose tissue results from cell growth restriction to prevent cell necrosis.
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| 9. |
- Eriksson, Mats-Ola, et al.
(författare)
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Morphologic Outcome after Endovascular Treatment of Complicated Type B Aortic Dissection
- 2013
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Ingår i: Journal of Vascular and Interventional Radiology. - : Elsevier BV. - 1051-0443 .- 1535-7732. ; 24:12, s. 1826-1833
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Tidskriftsartikel (refereegranskat)abstract
- PURPOSE:To investigate the long-term morphologic changes of the aorta after thoracic endovascular aortic repair (TEVAR) for acute complicated type B aortic dissection and to analyze whether these changes differed between DeBakey class IIIa and IIIb dissections.MATERIALS AND METHODS:During the period 1999-2009, 58 patients with acute complicated type B aortic dissection were treated with TEVAR. Seven patients lacked follow-up data, leaving 51 patients-17 patients with DeBakey IIIa aortic dissection and 34 patients with DeBakey IIIa aortic dissection IIIb-for inclusion in the study. Computed tomography scans performed before and after TEVAR were evaluated. Maximum thoracic and abdominal aortic diameters and diameters of the true lumen and false lumen at the level of the maximum aortic diameter in the thorax and abdomen were analyzed as well as degree of thrombosis of the false lumen.RESULTS:There was an overall significant reduction of the thoracic aortic diameter, increased true lumen diameter, and reduced false lumen diameter (P < .05). Total thrombosis of the false lumen, with or without reintervention, was seen in 53% of all patients, in 41% primarily and in 12% after reintervention. The IIIa group had a higher degree of total false lumen thrombosis. All patients in the IIIb group had total thrombosis of the false lumen along the stent graft.CONCLUSIONS:Long-term follow-up showed favorable aortic remodeling after TEVAR for acute complicated type B aortic dissection. Total thrombosis of the false lumen occurred more often in patients with DeBakey IIIa aortic dissection compared with patients with DeBakey IIIb aortic dissection.
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| 10. |
- Frankcombe, Terry J, et al.
(författare)
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N+CN→C+N2: A global potential energy surface, entrance channel recrossing and the applicability of capture theory
- 2011
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Ingår i: Chem.Phys.Lett.. ; 514:1-3, s. 40-43
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Tidskriftsartikel (refereegranskat)abstract
- A global potential energy surface for the system has been developed with the aim of studying the reaction at low temperatures. A three-dimensional analytic functional form has been fit to CASPT3/cc-pVQZ energies. Classical trajectory simulations on this fitted representation of the potential show a significant proportion of trajectories returning to the entrance channel after forming the intermediate, violating a key assumption of capture theory. While the fitted potential is considered inappropriate for calculating accurate low-temperature thermal rate constants, the potential can be used in future studies of the poorly characterised and reactions at temperatures relevant to combustion.
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| 11. |
- Franz, Jan, 1973, et al.
(författare)
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Formation of carbon-monoxide by radiative association : a quantum-dynamical study
- 2011
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Ingår i: Monthly notices of the Royal Astronomical Society. - : Oxford University Press (OUP). - 0035-8711 .- 1365-2966. ; 414, s. 3547-3550
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Tidskriftsartikel (refereegranskat)abstract
- Rate coefficients for the formation of carbon monoxide (CO) by radiative association of carbon and oxygen atoms are computed using quantum dynamical simulations. At temperatures above 10 K CO radiative association is dominated by C(3P) and O(3P) approaching on the A1Π potential energy curve. The rate coefficient is estimated as k=A(T/300 K)αexp−β/T with A= 1.39 × 10−18 cm3 s−1, α=−0.016 and β= 92.2 for temperatures between 6 and 127.2 K, and A= 1.36 × 10−17 cm3 s−1, α= 0.41 and β= 340 for temperatures between 127.2 and 15 000 K. Furthermore we computed the rate coefficients for approaching on the X1Σ+ curve. For temperatures below 200 K it is between 0.7 × 10−22 and 4 × 10−22 cm3 s−1.
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| 12. |
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| 13. |
- Franz, Jan, 1973, et al.
(författare)
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Molecule Formation by Radiative Association
- 2010
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Ingår i: The Chemical Cosmos: Understanding Chemistry in Astronomical Environments.
-
Konferensbidrag (övrigt vetenskapligt/konstnärligt)
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| 14. |
- Franz, Jan, 1973, et al.
(författare)
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Molecule Formation in Interstellar Space
- 2010
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Ingår i: Department of Chemical- and Biological Engineering at Chalmers University of Technology and Chemistry at University of Gothenburg.
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Konferensbidrag (övrigt vetenskapligt/konstnärligt)
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| 15. |
- Gevorkyan, A., et al.
(författare)
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Fitting of 3D Reaction Surface of Three-Atomic System in the Natural Collision Coordinates
- 2010
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Ingår i: Bulletin of Peoples Friendship Univeristy of Russia (PFUR) Series "Mathematics, informatics, physics". ; 3, s. 36-37
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- The objective of present investigation to prove the possibility of representation the 3D interac- tion between particles in various reacting three-body systems by analytical function with a set of adjusting parameters in natural collision coordinates. Realization of this idea imply the procedure of fitting of 3D numerical data by 3D analytical function or more precisely, calculation of adjusting parameters in mentioned analytical function. In the work is used Levenberg-Marquardt algorithm on the basis of which the numerical method is developed. The possibility of implementation of 3D fitting with the big accuracy, on the example of reaction H + H2 is shown.
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| 16. |
- Gevorkyana, A.S., et al.
(författare)
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Novel algorithm for simulation of 3D quantum reactive atom-diatom scattering
- 2010
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Ingår i: Procedia Computer Science. - : Elsevier BV. - 1877-0509. ; 1:1, s. 1195-1201
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- A new approach is described to the evaluation of the quantum scattering S-matrix in 3D atom-diatom reactive collision. The theory is developed in terms of natural collision coordinates where the coordinate reaction fulfills the same role as a time in a time-dependent scattering formulation. Having written the full wavefunction of the particles system in the coupled-channel representation we have proved that the 3D multi-channel scattering problem can be reduced to the inelastic single-arrangement problem which is described by system of ordinary dierential equations (ODE) of second order. The system of coupled-channel second order ODEs exactly is reduced to the system of integro-dierential equations (IDE) of first order which is solved with the initial conditions. The problem of Koshi for the system of IDEs is proposed to be solved by the method of Runge-Kutta of fourth order. The detailed algorithm for parallel simulation of initial 3D scattering problem is proposed. In result of simulation of IDEs the full wavefunction and all S-matrix elements of reactive transitions and state-to-state cross section are obtained simultaneously without other extra calculations.
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| 17. |
- Golubev, Nikolay V., et al.
(författare)
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Formation of the SiP Radical through Radiative Association
- 2013
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Ingår i: Journal of Physical Chemistry A. - : American Chemical Society (ACS). - 1089-5639 .- 1520-5215. ; 117:34, s. 8184-8188
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Tidskriftsartikel (refereegranskat)abstract
- Formation of the SiP radical through radiative association of Si(3P) and P(4S) atoms is studied using classical and quantum dynamics. Rate coefficients for formation in the two lowest doublet states and the two lowest quartet states are calculated for T = 10–20000 K. Breit–Wigner theory is used to properly account for contribution from quantum mechanical resonances.
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| 18. |
- Grubb, Anders, et al.
(författare)
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Generation of a new cystatin C-based estimating equation for glomerular filtration rate by use of 7 assays standardized to the international calibrator
- 2014
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Ingår i: Clinical Chemistry. - : Oxford University Press (OUP). - 0009-9147 .- 1530-8561. ; 60:7, s. 974-986
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Tidskriftsartikel (refereegranskat)abstract
- BACKGROUND:Many different cystatin C-based equations exist for estimating glomerular filtration rate. Major reasons for this are the previous lack of an international cystatin C calibrator and the nonequivalence of results from different cystatin C assays.METHODS:Use of the recently introduced certified reference material, ERM-DA471/IFCC, and further work to achieve high agreement and equivalence of 7 commercially available cystatin C assays allowed a substantial decrease of the CV of the assays, as defined by their performance in an external quality assessment for clinical laboratory investigations. By use of 2 of these assays and a population of 4690 subjects, with large subpopulations of children and Asian and Caucasian adults, with their GFR determined by either renal or plasma inulin clearance or plasma iohexol clearance, we attempted to produce a virtually assay-independent simple cystatin C-based equation for estimation of GFR.RESULTS:We developed a simple cystatin C-based equation for estimation of GFR comprising only 2 variables, cystatin C concentration and age. No terms for race and sex are required for optimal diagnostic performance. The equation, [Formula: see text] is also biologically oriented, with 1 term for the theoretical renal clearance of small molecules and 1 constant for extrarenal clearance of cystatin C.CONCLUSIONS:A virtually assay-independent simple cystatin C-based and biologically oriented equation for estimation of GFR, without terms for sex and race, was produced.
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| 19. |
- Gustafsson, Margareta, 1952-, et al.
(författare)
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Identifying clinically relevant groups of hip fracture patients at risk of adverse outcomes by using classification tree analysis
- 2012
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Ingår i: International Journal of Orthopaedic and Trauma Nursing. - London, United Kingdom : Elsevier. - 1878-1241 .- 1878-1292. ; 17:1, s. 38-47
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Tidskriftsartikel (refereegranskat)abstract
- Aim: To identify groups of hip fracture patients at risk of adverse utcome by investigating interactions between previously reported risk factors.Methods: A consecutive sample of 338 hip fracture patients was included at admission to the orthopaedic department and followed up 4 months later. Outcomes measured were mortality, failure to regain pre-injury mobility and failure to return home. Data were collected about previously reported risk factors for adverse outcomes in those respects.Results: The highest risk of death occured in males living in institutions for the elderly before the fracture (48%). Lowest risk of death had patients admitted from their own home, without malignancy and below 80 years of age (1%). The overall risk of failure to regain pre-injury mobility at the 4 month follow up was 30%. In patients walking independently before the fracture and age above 85 years, the risk increased to 88%. In patients walking with devices before the fracture, the risk of being confined to bed or wheelchair increased from 10% to 20% if the patient was confused. Confusion also increased the risk of relocation from their own home to an institution for the elderly from 19% to 53%.Conclusion: The results of the study can help nurses in making realistic discharge plans based on risk analyses, employing more than just age as risk factor. Using this information nurses can meet the patient’s individual needs in an improved way.
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| 20. |
- Gustafsson, Magnus, 1969, et al.
(författare)
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Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
- 2012
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 137:10
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Tidskriftsartikel (refereegranskat)abstract
- Radiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory at high energies. The high energy cross section is overestimated if conventional semiclassical theory is used. The modified semiclassical theory should be valid in general for radiative association transitions from an upper to a lower electronic state. We also implement a quantum dynamical optical potential method with the same type of modification. The rate coefficient is calculated using Breit-Wigner theory and the modified semiclassical formula for the resonance and direct contributions, respectively, for temperatures from 10 K to 20 000 K. A rapid decrease in the rate constant for formation of ground state SiN is observed above 2000 K which was not seen previously. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4750029]
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| 21. |
- Gustafsson, Magnus, et al.
(författare)
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The emission spectrum due to molecule formation through radiative association
- 2014
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Ingår i: Journal of Physics, Conference Series. - : IOP Publishing. - 1742-6588 .- 1742-6596. ; 548
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Tidskriftsartikel (refereegranskat)abstract
- Quantum mechanical and classical methods for theoretical analysis of the emission spectrum due to radiative association are presented. Quantum mechanical perturbation theory is employed to obtain the spectra when the diatomic molecule HF forms by transitions within the electronic ground state and when it forms by transitions between two electronic states. We contrast these spectra with each other. The former peaks in the infrared, while the latter peaks in the ultraviolet. The classical spectrum, which concerns transitions within the electronic ground state, is also calculated and found to favorably compare with that from quantum mechanical perturbation theory. The emission stemming from resonance mediated radiative association is also discussed.
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| 22. |
- Gustafsson, Magnus, 1969, et al.
(författare)
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The rate constant for radiative association of HF. Comparing quantum and classical dynamics.
- 2014
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 140:18
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Tidskriftsartikel (refereegranskat)abstract
- Radiative association for the formation of hydrogen fluoride through the A 1Π → X 1Σ+ and X 1Σ+ → X 1Σ+ transitions is studied using quantum and classical dynamics. The total thermal rate constant is obtained for temperatures from 10 K to 20 000 K. Agreement between semiclassical and quantum approaches is observed for the A 1Π → X 1Σ+ rate constant above 2000 K. The agreement is explained by the fact that the corresponding cross section is free of resonances for this system. At temperatures below 2000 K we improve the agreement by implementing a simplified semiclassical expression for the rate constant, which includes a quantum corrected pair distribution. The rate coefficient for the X 1Σ+ → X 1Σ+ transition is calculated using Breit–Wigner theory and a classical formula for the resonance and direct contributions, respectively. In comparison with quantum calculations the classical formula appears to overestimate the direct contribution to the rate constant by about 12% for this transition. Below about 450 K the resonance contribution is larger than the direct, and above that temperature the opposite holds. The biggest contribution from resonances is at the lowest temperature in the study, 10 K, where it is more than four times larger than the direct. Below 1800 K the radiative association rate constant due to X 1Σ+ → X 1Σ+ transitions dominates over A 1Π → X 1Σ+, while above that temperature the situation is the opposite.
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| 23. |
- Hallqvist, Andreas, 1973, et al.
(författare)
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Concurrent cetuximab and radiotherapy after docetaxel-cisplatin induction chemotherapy in stage III NSCLC : Satellite-A phase II study from the Swedish Lung Cancer Study Group
- 2011
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Ingår i: Lung Cancer. - : Elsevier BV. - 0169-5002 .- 1872-8332. ; 71:2, s. 166-172
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Tidskriftsartikel (refereegranskat)abstract
- Background: Several attempts to increase the locoregional control in locally advanced lung cancer including concurrent chemotherapy, accelerated fractionation and dose escalation have been made during the last years. As the EGFR directed antibody cetuximab has shown activity concurrent with radiotherapy in squamous cell carcinoma of the head and neck, as well as in stage IV NSCLC combined with chemotherapy, we wanted to investigate radiotherapy with concurrent cetuximab in locally advanced NSCLC, a tumour type often over expressing the EGF-receptor. Methods: Between February 2006 and August 2007 75 patients in stage Ill NSCLC with good performance status (PS 0 or 1) and adequate lung function (FEV1 > 1.0) were enrolled in this phase II study at eight institutions. Treatment consisted of 2 cycles of induction chemotherapy, docetaxel 75 mg/m(2) and cisplatin 75 mg/m(2) with 3 weeks interval. An initial dose of cetuximab 400 mg/m(2) was given before start of 3D-CRT to 68 Gy with 2 Gy per fraction in 7 weeks concurrent with weekly cetuximab 250 mg/m(2). Toxicity was scored weekly during radiotherapy (CTC 3.0), and after treatment the patients were followed every third month with CT-scans, toxicity scoring and QLQ. Results: Seventy-one patients were eligible for analysis as four were incorrectly enrolled. Histology: adenocarcinoma 49%, squamous cell carcinoma 39% and other NSCLC 12%. The majority had PS 0 (62.5%), median age 62.2 (42-81), 50% were women and 37% had a pre-treatment weight loss > 5%. Toxicity: esophagitis grade 1-2: 72%; grade 3:1.4%. Hypersensitivity reactions grade 3-4: 5.6%. Febrile neutropenia grade 3-4: 15.4%. Skin reactions grade 1-2: 74%; grade 3: 4.2%. Diarrhoea grade 1-2: 38%; grade 3: 11.3%. Pneumonitis grade 1-2: 26.8%; grade 3: 4.2%; grade 5:1.4%. The median follow-up was 39 months for patients alive and the median survival was 17 months with a 1-, 2- and 3-year OS of 66%, 37% and 29% respectively. Until now local or regional failure has occurred in 20 patients and 22 patients have developed distant metastases. Weight loss, PS and stage were predictive for survival in univariate as well as in multivariate analysis. Conclusion: Induction chemotherapy followed by concurrent cetuximab and RT to 68 Gy is clearly feasible with promising survival. Toxicity, e.g. pneumonitis and esophagitis is low compared to most schedules with concurrent chemotherapy. This treatment strategy should be evaluated in a randomised manner vs. concurrent chemoradiotherapy to find out if it is a valid treatment option.
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| 24. |
- Huss, Fredrik, et al.
(författare)
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Use of macroporous gelatine spheres as a biodegradable scaffold for guided tissue regeneration of healthy dermis in humans : An in vivo study
- 2010
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Ingår i: Journal of Plastic, Reconstructive & Aesthetic Surgery. - : Elsevier Science B.V.amsterdam. - 1748-6815 .- 1878-0539. ; 63:5, s. 848-857
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Tidskriftsartikel (refereegranskat)abstract
- If a biodegradable scaffold is applied, the dermis can be regenerated by guided tissue regeneration. Scaffolds can stimulate in-growth of cells from the surroundings that migrate into them and start to produce autologous extracellular matrix as the scaffold is degraded. Several materials are available, but most of them are in the form of sheets and need to be laid on an open wound surface. A number of injectable fillers have been developed to correct soft-tissue defects. However, none of these has been used for guided tissue regeneration. We present a new technique that could possibly be used to correct dermal defects by using macroporous gelatine spheres as a biodegradable scaffold for guided tissue regeneration. In eight healthy volunteers, intradermal injections of macroporous gelatine spheres were compared with injections of saline and hyaluronic acid (Restylane (R)). Full-thickness skin biopsy specimens of the implants and surrounding tissue were removed 2, 8, 12 and 26 weeks after injection, and the (immuno) histological results were analysed. The Restylane (R) merely occupied space. It shattered the dermal tissue and compressed collagen fibres and cells at the interface between the implant and the dermis. No regeneration of tissue was found with this material at any time. The macroporous gelatine spheres were populated with fibroblasts already after 2 weeks. After 8 weeks the spheres were completely populated by fibroblasts producing dermal tissue. After 12 and 26 weeks, the gelatine spheres had been more or less completely resorbed and replaced by vascularised neodermis. There were no signs of capsular formation, rejection or adverse events in any subject. Further in vivo studies in humans are needed to evaluate the effect of the macroporous spheres fully as a matrix for guided tissue regeneration with and without cellular pre-seeding. However, the results of this study indicate the possibility of using macroporous gelatine spheres as an injectable, three-dimensional, degradable matrix for guided tissue regeneration.
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| 25. |
- Larsson, Mats, et al.
(författare)
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Ion chemistry in space
- 2012
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Ingår i: Reports on Progress in Physics. - : IOP Publishing. - 0034-4885 .- 1361-6633. ; 75:6
-
Tidskriftsartikel (refereegranskat)abstract
- We review the gas-phase chemistry in extraterrestrial space that is driven by reactions with atomic and molecular ions. Ions are ubiquitous in space and are potentially responsible for the formation of increasingly complex interstellar molecules. Until recently, positively charged atoms and molecules were the only ions known in space; however, this situation has changed with the discovery of various molecular anions. This review covers not only the observation, distribution and reactions of ions in space, but also laboratory-based experimental and theoretical methods for studying these ions. Recent results from space-based instruments, such as those on the Cassini-Huygens space mission and the Herschel Space Observatory, are highlighted.
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| 26. |
- Li, Huaqing, 1983, et al.
(författare)
-
The classical Wigner method with an effective quantum force: application to the collinear H + H2 reaction.
- 2011
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Ingår i: The journal of physical chemistry. A. - : American Chemical Society (ACS). - 1520-5215 .- 1089-5639. ; 115:25, s. 7338-45
-
Tidskriftsartikel (refereegranskat)abstract
- To improve the classical Wigner (CW) model, we recently proposed the classical Wigner model with an effective quantum force (CWEQF). The results of the CWEQF model are more accurate than those of the CW model. Still the simplicity of the CW model is retained. The quantum force was obtained by defining a characteristic distance η(0) between two Feynman paths that enter the expression for the flux-flux correlation function. η(0) was considered independent of the position along the reaction path. The CWEQF leads to a lowering of the effective potential barrier. Here we develop the method to use position dependent η(0) values. The method is also generalized to two dimensions. Applications are carried out on one-dimensional model problems and the two-dimensional H + H(2) collinear reaction.
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| 27. |
- Li, Huaqing, 1983, et al.
(författare)
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Tunneling Dynamics Using Classical-like Trajectories with an Effective Quantum Force
- 2013
-
Ingår i: Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 4:17, s. 3013-3018
-
Tidskriftsartikel (refereegranskat)abstract
- We develop an effective quantum force to propagate trajectories in Wigner phase space. In this way, the quantum entanglement between trajectories is represented by the effective quantum force, which is related to the variance of the momentum distribution. Reaction probabilities are obtained for three model potentials For a cubic potential, the reaction probabilities are found to continuously grow in time long after the classical reaction probabilities have become stationary. This growth is due to tunneling and is in good agreement with numerically exact quantum results. The Variance of the momentum distribution is updated at each time step of the trajectories which is the key to the increase of the reaction probabilities at longer times and allows a nice interpretation of tunneling.
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| 28. |
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| 29. |
- Nyman, Carl-Gunnar, et al.
(författare)
-
SP Produktivitet
- 2014
-
Rapport (refereegranskat)
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| 30. |
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| 31. |
- Nyman, Elin, et al.
(författare)
-
A Hierarchical Whole-body Modeling Approach Elucidates the Link between in Vitro Insulin Signaling and in Vivo Glucose Homeostasis
- 2011
-
Ingår i: Journal of Biological Chemistry. - : American Society for Biochemistry and Molecular Biology. - 0021-9258 .- 1083-351X. ; 286:29, s. 26028-26041
-
Tidskriftsartikel (refereegranskat)abstract
- Type 2 diabetes is a metabolic disease that profoundly affects energy homeostasis. The disease involves failure at several levels and subsystems and is characterized by insulin resistance in target cells and tissues (i.e. by impaired intracellular insulin signaling). We have previously used an iterative experimental-theoretical approach to unravel the early insulin signaling events in primary human adipocytes. That study, like most insulin signaling studies, is based on in vitro experimental examination of cells, and the in vivo relevance of such studies for human beings has not been systematically examined. Herein, we develop a hierarchical model of the adipose tissue, which links intracellular insulin control of glucose transport in human primary adipocytes with whole-body glucose homeostasis. An iterative approach between experiments and minimal modeling allowed us to conclude that it is not possible to scale up the experimentally determined glucose uptake by the isolated adipocytes to match the glucose uptake profile of the adipose tissue in vivo. However, a model that additionally includes insulin effects on blood flow in the adipose tissue and GLUT4 translocation due to cell handling can explain all data, but neither of these additions is sufficient independently. We also extend the minimal model to include hierarchical dynamic links to more detailed models (both to our own models and to those by others), which act as submodules that can be turned on or off. The resulting multilevel hierarchical model can merge detailed results on different subsystems into a coherent understanding of whole-body glucose homeostasis. This hierarchical modeling can potentially create bridges between other experimental model systems and the in vivo human situation and offers a framework for systematic evaluation of the physiological relevance of in vitro obtained molecular/cellular experimental data.
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| 32. |
- Nyman, Elin, et al.
(författare)
-
A Single Mechanism Can Explain Network-wide Insulin Resistance in Adipocytes from Obese Patients with Type 2 Diabetes
- 2014
-
Ingår i: Journal of Biological Chemistry. - : American Society for Biochemistry and Molecular Biology. - 0021-9258 .- 1083-351X. ; 289:48, s. 33215-33230
-
Tidskriftsartikel (refereegranskat)abstract
- The response to insulin is impaired in type 2 diabetes. Much information is available about insulin signaling, but understanding of the cellular mechanisms causing impaired signaling and insulin resistance is hampered by fragmented data, mainly obtained from different cell lines and animals. We have collected quantitative and systems-wide dynamic data on insulin signaling in primary adipocytes and compared cells isolated from healthy and diabetic individuals. Mathematical modeling and experimental verification identified mechanisms of insulin control of the MAPKs ERK1/2. We found that in human adipocytes, insulin stimulates phosphorylation of the ribosomal protein S6 and hence protein synthesis about equally via ERK1/2 and mTORC1. Using mathematical modeling, we examined the signaling network as a whole and show that a single mechanism can explain the insulin resistance of type 2 diabetes throughout the network, involving signaling both through IRS1, PKB, and mTOR and via ERK1/2 to the nuclear transcription factor Elk1. The most important part of the insulin resistance mechanism is an attenuated feedback from the protein kinase mTORC1 to IRS1, which spreads signal attenuation to all parts of the insulin signaling network. Experimental inhibition of mTORC1 using rapamycin in adipocytes from non-diabetic individuals induced and thus confirmed the predicted network-wide insulin resistance.
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| 33. |
- Nyman, Elin, 1983-
(författare)
-
Insulin signaling dynamics in human adipocytes : Mathematical modeling reveals mechanisms of insulin resistance in type 2 diabetes
- 2014
-
Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- Type 2 diabetes is characterized by raised blood glucose levels caused by an insufficient insulin control of glucose homeostasis. This lack of control is expressed both through insufficient release of insulin by the pancreatic beta-cells, and through insulin resistance in the insulin-responding tissues. We find insulin resistance of the adipose tissue particularly interesting since it appears to influence other insulin-responding tissues, such as muscle and liver, to also become insulin resistant.The insulin signaling network is highly complex with cross-interacting intermediaries, positive and negative feedbacks, etc. To facilitate the mechanistic understanding of this network, we obtain dynamic, information-rich data and use model-based analysis as a tool to formally test different hypotheses that arise from the experimental observations. With dynamic mathematical models, we are able to combine knowledge and experimental data into mechanistic hypotheses, and draw conclusions such as rejection of hypotheses and prediction of outcomes of new experiments.We aim for an increased understanding of adipocyte insulin signaling and the underlying mechanisms of the insulin resistance that we observe in adipocytes from subjects diagnosed with type 2 diabetes. We also aim for a complete picture of the insulin signaling network in primary human adipocytes from normal and diabetic subjects with a link to relevant clinical parameters: plasma glucose and insulin. Such a complete picture of insulin signaling has not been presented before. Not for adipocytes and not for other types of cells.In this thesis, I present the development of the first comprehensive insulin signaling model that can simulate both normal and diabetic data from adipocytes – and that is linked to a whole-body glucose-insulin model. In the linking process we conclude that at least two glucose uptake parameters differ between the in vivo and in vitro conditions (Paper I). We also perform a model analysis of the early insulin signaling dynamics in rat adipocytes and conclude that internalization is important for an apparent reversed order of phosphorylation seen in these cells (Paper II). In the development of the first version of the comprehensive insulin signaling model, we introduce a key parameter for the diabetic state – an attenuated feedback (Paper III). We finally continue to build on the comprehensive model and include signaling to nuclear transcription via ERK and report substantial crosstalk in the insulin signaling network (Paper IV).
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| 34. |
- Nyman, Elin, et al.
(författare)
-
Insulin signaling - mathematical modeling comes of age
- 2012
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Ingår i: Trends in endocrinology and metabolism. - : Elsevier. - 1043-2760 .- 1879-3061. ; 23:3, s. 107-115
-
Forskningsöversikt (refereegranskat)abstract
- Signaling pathways that only a few years ago appeared simple and understandable, albeit far from complete, have evolved into very complex multi-layered networks of cellular control mechanisms, which in turn are integrated in a similarly complex whole-body level of control mechanisms. This complexity sets limits for classical biochemical reasoning, such that a correct and complete analysis of experimental data while taking the full complexity into account is not possible. In this Opinion we propose that mathematical modeling can be used as a tool in insulin signaling research, and we demonstrate how recent developments in modeling - and the integration of modeling in the experimental process - provide new possibilities to approach and decipher complex biological systems more efficiently.
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| 35. |
- Nyman, Elin, et al.
(författare)
-
Mechanistic explanations for counter-intuitive phosphorylation dynamics of the insulin receptor and insulin receptor substrate-1 in response to insulin in murine adipocytes
- 2012
-
Ingår i: The FEBS Journal. - : Wiley-Blackwell. - 1742-464X .- 1742-4658. ; 279:6, s. 987-999
-
Tidskriftsartikel (refereegranskat)abstract
- Insulin signaling through insulin receptor (IR) and insulin receptor substrate-1 (IRS1) is important for insulin control of target cells. We have previously demonstrated a rapid and simultaneous overshoot behavior in the phosphorylation dynamics of IR and IRS1 in human adipocytes. Herein, we demonstrate that in murine adipocytes a similar overshoot behavior is not simultaneous for IR and IRS1. The peak of IRS1 phosphorylation, which is a direct consequence of the phosphorylation and the activation of IR, occurs earlier than the peak of IR phosphorylation. We used a conclusive modeling framework to unravel the mechanisms behind this counter-intuitive order of phosphorylation. Through a number of rejections, we demonstrate that two fundamentally different mechanisms may create the reversed order of peaks: (i) two pools of phosphorylated IR, where a large pool of internalized IR peaks late, but phosphorylation of IRS1 is governed by a small plasma membrane-localized pool of IR with an early peak, or (ii) inhibition of the IR-catalyzed phosphorylation of IRS1 by negative feedback. Although (i) may explain the reversed order, this two-pool hypothesis alone requires extensive internalization of IR, which is not supported by experimental data. However, with the additional assumption of limiting concentrations of IRS1, (i) can explain all data. Also, (ii) can explain all available data. Our findings illustrate how modeling can potentiate reasoning, to help draw nontrivial conclusions regarding competing mechanisms in signaling networks. Our work also reveals new differences between human and murine insulin signaling.
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| 36. |
- Nyman, Elin, et al.
(författare)
-
Multilevel-modeling, core predictions, and the concept of final conclusions
- 2012
-
Ingår i: Biosimulation in biomedical research, health care and drug development. - Wien : Springer. - 9783709104187 ; , s. 311-328
-
Bokkapitel (övrigt vetenskapligt/konstnärligt)abstract
- External control of tissues and cells, by hormones, nerves, and other stimuli, involves the transduction of signals from ligand-activated receptors to control of rate-limiting enzymes or proteins that affect key steps in metabolism, gene transcription or other processes within the cells. The signal transduction is carried out by a network of interacting signal mediators, i.e. proteins and small molecule transducers. Such signaling transduction networks display a high degree of complexity, which is due to the presence of feed-forward and feedback loops, both negative and positive, and to the fact that interactions change over time and according to intracellular location. In combination with multiple layers of control, redundancy, shared signal mediators, shared signal paths, and cross-talk between signals, this leads to a complexity that poses new challenges to progress in dissecting and understanding cellular control. Furthermore, many diseases, such as cancer, insulin resistance, and type 2 diabetes, are associated with malfunctioning in the complex signaling networks.
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| 37. |
- Nyman, Elin, et al.
(författare)
-
The insulin-signaling network in human adipocytes, normally and in diabetes : role of signaling through ERK1/2
- 2014
-
Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- Insulin acutely controls metabolism in adipocytes, but also nuclear transcription through the “mitogenic” signaling pathway mediated by Map-kinases ERK1/2 (ERK). The cellular metabolic response to insulin is attenuated in insulin resistance and type 2 diabetes, but whether this involves also signaling through ERK is unclear. Based on experimental data from primary mature human adipocytes from diabetic and nondiabetic individuals, we demonstrate a network-wide, model-based analysis of insulin signaling through ERK to phosphorylation of transcription factor Elk1 integrated with signaling for “metabolic” control. We use minimal modeling to analyze the idiosyncratic phosphorylation dynamics of ERK, i.e. a slow phosphorylation response that returns to basal in response to insulin, and conclude that sequestration of ERK is the simplest explanation to data. We also demonstrate a significant cross-talk between ERK and mTORC1 signaling to ribosomal protein S6 for control of protein synthesis. A reduced sensitivity and reduced maximal phosphorylation of ERK in response to insulin in the diabetic state can be explained by the same mechanisms that generate insulin resistance in the control of metabolism.
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| 38. |
- Nyman, Gunnar, 1957
(författare)
-
Computational methods of quantum reaction dynamics
- 2014
-
Ingår i: International Journal of Quantum Chemistry. - : John Wiley and Sons Inc.. - 0020-7608 .- 1097-461X. ; 114:18, s. 1183-1198
-
Tidskriftsartikel (refereegranskat)abstract
- In this article, I review some of the best available quantum dynamical approaches for studying bimolecular chemical reactions. Calculating the thermal rate constant is central in theoretical chemistry and there is a focus on this. I begin by motivating the need for quantum dynamics before giving a general overview. Thereafter, I give expressions for calculating thermal rate constants. This is followed by a brief description of time-independent scattering calculations. Next comes a longer section on time-dependent approaches including the time-dependent wave packet approach, the multiconfigurational time-dependent Hartree approach and ring polymer molecular dynamics. Finally, I make some concluding remarks. © 2014 Wiley Periodicals, Inc.
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| 39. |
- Nyman, Gunnar, 1957, et al.
(författare)
-
Quantum approaches to polyatomic reaction dynamics
- 2013
-
Ingår i: International reviews in physical chemistry. - 0144-235X .- 1366-591X. ; 32:1, s. 39-95
-
Tidskriftsartikel (refereegranskat)abstract
- In this review we discuss some quantum dynamical approaches to studying chemical reactions. We begin with a brief introductory section on how thermal rate constants can be calculated. This is followed by a section on time-dependent wave-packet calculations, where a brief description of the Multi-Configurational Time-Dependent Hartree (MCTDH) approach is included with emphasis on aspects relevant to thermal rate constant calculations. The next section is the main focus and treats time-independent quantum scattering theory biased to areas of our own interest. This includes a description of the guided spectral transform method to obtain eigenstates and the two-layer Lanczos method to treat presently up to twelve degrees of freedom. We end with concluding remarks and summary.
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| 40. |
- Nyman, Ulf, et al.
(författare)
-
The CKD-EPI and MDRD equations to estimate GFR. Validation in the Swedish Lund-Malmo Study cohort
- 2011
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Ingår i: Scandinavian Journal of Clinical & Laboratory Investigation. - : Informa UK Limited. - 1502-7686 .- 0036-5513. ; 71:2, s. 129-138
-
Tidskriftsartikel (refereegranskat)abstract
- Objective. To compare the recently developed CKD-EPI equation to estimate GFR in adult Swedish-Caucasians with the MDRD equation. Material and methods. Swedish-Caucasians (N = 850, 376 females; median age 60, range 5-95 years) referred for plasma iohexol-clearance (median 55, range 5-223 mL/min/1.73 m(2)) constituted the Lund-Malmo Study cohort. Bias, precision (interquartile range, IQR, of the differences between estimated and measured GFR), accuracy expressed as percentage of estimates +/- 10% (P-10) and +/- 30% (P-30) of measured GFR, and classification ability for five GFR stages < 15, 15-29, 30-59, 60-89 and >= 90 mL/min/1.73 m(2) were compared. Results. Overall there were no important differences between the equations; CKD-EPI/MDRD median values of bias +5.4%/+3.4%, IQR both 14 mL/min/1.73 m(2), P-10 36%/34%, P-30 both 80%, and correctly classified GFR stages 68%/67%. P-30 for the CKD-EPI equation was substantially higher than for MDRD at GFR >= 90 mL/min/1.73 m(2) (93% versus 79%). The MDRD equation performed better in the GFR interval 30-89 mL/min/1.73 m(2), while accuracy was limited for both equations at GFR < 30 mL/min/1.73 m(2) (P-30 < 75% in both females and males). The CKD-EPI/MDRD equations caused a +22%/ +14% bias in the 18-39 year interval and the MDRD equation a + 18% bias >= 80 years. Both equations performed poorly in males with BMI < 20 kg/m(2) (CKD-EPI/MDRD median bias +36%/46%). Conclusion. Overall the recently developed CKD-EPI equation performed well but was not superior to the MDRD equation. The CKD-EPI equation may be preferred in screenings of general populations and in the elderly. None of the equations appeared reliable among patients with markedly decreased GFR, young adults and underweight males.
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| 41. |
- Nyman, Ulf, et al.
(författare)
-
The revised Lund-Malmo GFR estimating equation outperforms MDRD and CKD-EPI across GFR, age and BMI intervals in a large Swedish population
- 2014
-
Ingår i: Clinical Chemistry and Laboratory Medicine. - : Walter de Gruyter GmbH. - 1434-6621 .- 1437-4331. ; 52:6, s. 815-824
-
Tidskriftsartikel (refereegranskat)abstract
- Background: The performance of creatinine-based glomerular filtration rate (GFR) estimating equations may vary in subgroups defined by GFR, age and body mass index (BMI). This study compares the performance of the Modification of Diet in Renal Disease (MDRD) study and Chronic Kidney Disease Epidemiology Collaboration (CKD-EPI) equations with the revised Lund-Malmo equation (LM Revised), a new equation that can be expected to handle changes in GFR across the life span more accurately. Methods: The study included 3495 examinations in 2847 adult Swedish patients referred for measurement of GFR (mGFR) 2008-2010 by plasma clearance of iohexol (median 52 mL/min/1.73 m(2)). Bias, precision [interquartile range (IQR)] and accuracy [percentage of estimates +/- 10% (P-10) and +/- 30% (P-30) of mGFR] were compared. Results: The overall results of LM Revised/MDRD/CKD-EPI were: median bias 2%/8%/11%, IQR 12/14/14 mL/min/1.73 m(2), P-10 40%/35%/35% and P-30 84%/75%/76%. LM Revised was the most stable equation in terms of bias, precision and accuracy across mGFR, age and BMI intervals irrespective of gender. MDRD and CKD-EPI overestimated mGFR in patients with decreased kidney function, young adults and elderly. All three equations overestimated mGFR and had low accuracy in patients with BMI <20 kg/m(2), most pronounced among men. Conclusions: In settings similar to the investigated cohort LM Revised should be preferred to MDRD and CKD-EPI due to its higher accuracy and more stable performance across GFR, age and BMI intervals.
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| 42. |
- Palmér, Robert, et al.
(författare)
-
Effects of IL-1β-Blocking Therapies in Type 2 Diabetes Mellitus : A Quantitative Systems Pharmacology Modeling Approach to Explore Underlying Mechanisms
- 2014
-
Ingår i: CPT. - : Wiley. - 2163-8306. ; 3:6, s. 1-8
-
Tidskriftsartikel (refereegranskat)abstract
- Recent clinical studies suggest sustained treatment effects of interleukin-1β (IL-1β)-blocking therapies in type 2 diabetes mellitus. The underlying mechanisms of these effects, however, remain underexplored. Using a quantitative systems pharmacology modeling approach, we combined ex vivo data of IL-1β effects on β-cell function and turnover with a disease progression model of the long-term interactions between insulin, glucose, and β-cell mass in type 2 diabetes mellitus. We then simulated treatment effects of the IL-1 receptor antagonist anakinra. The result was a substantial and partly sustained symptomatic improvement in β-cell function, and hence also in HbA1C, fasting plasma glucose, and proinsulin-insulin ratio, and a small increase in β-cell mass. We propose that improved β-cell function, rather than mass, is likely to explain the main IL-1β-blocking effects seen in current clinical data, but that improved β-cell mass might result in disease-modifying effects not clearly distinguishable until >1 year after treatment.
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| 43. |
- Schiffel, Gerd, et al.
(författare)
-
Full-dimensional quantum reaction rate calculations for H + CH(4) → H(2) + CH(3) on a recent potential energy surface.
- 2010
-
Ingår i: The journal of physical chemistry. A. - : American Chemical Society (ACS). - 1520-5215 .- 1089-5639. ; 114:36, s. 9617-22
-
Tidskriftsartikel (refereegranskat)abstract
- The thermal rate constant of the H + CH(4) → H(2) + CH(3) reaction on the recent potential energy surface (PES) of Corchado et al (CBE) (Corchado, J. C.; Bravo, J. L.; Espinosa-Garcia, J. J. Chem. Phys. 2009, 130, 184314) is computed employing the state-averaged multiconfigurational time-dependent Hartree approach in the temperature range 250-500 K. The CBE PES is global and is based on an analytic functional form that is fast to evaluate. This surface is therefore potentially useful for testing new quantum dynamics methods, and reference rate constants for this purpose are presented here. The thermal rate constants obtained are compared to results previously obtained on an accurate PES particularly designed for thermal rate constant calculations (Wu, T.; Werner, H.; Manthe, U. Science 2004, 306, 2227). The two sets of rate constants are found to agree almost perfectly.
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| 44. |
- Yu, Hua-Gen, et al.
(författare)
-
THE INFRARED AND UV-VISIBLE SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS CONTAINING (5,7)-MEMBER RING DEFECTS: A THEORETICAL STUDY
- 2012
-
Ingår i: Astrophysical Journal. - : American Astronomical Society. - 0004-637X .- 1538-4357. ; 751:1
-
Tidskriftsartikel (refereegranskat)abstract
- We report a theoretical investigation of the infrared (IR) spectra of polycyclic aromatic hydrocarbons (PAHs) containing (5, 7)-member ring defects based on a C48H18 model. Calculations are mostly performed using the hybrid B3LYP density functional theory (DFT) with a 6-31G(d) or 4-31G basis set. The results show that the Stone-Wales defect in PAHs can yield a strong IR band at 1448 cm(-1) and a weak band at 611 cm(-1), which may contribute to the UIR (unidentified infrared) bands at 6.9 mu m and 16.4 mu m observed in the interstellar medium. The charge effect on the IR spectra is discussed. The stability of the ring defected PAHs is also addressed by exploring the minimum energy pathway on the potential energy surface and through their UV-visible spectra, which are computed using a TDDFT method.
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