| 1. |
- Coates, C. G., et al.
(author)
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Picosecond time-resolved resonance Raman probing of the light-switch states of Ru(Phen)(2)dppz (2+)
- 2001
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In: Journal of Physical Chemistry B. - : American Chemical Society (ACS). - 1520-6106 .- 1520-5207. ; 105:50, s. 12653-12664
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Journal article (peer-reviewed)abstract
- Picosecond time-resolved resonance Raman (picosecond-TR3) spectroscopy has been used to conduct an extensive photophysical characterization of the light- switch complex [Ru(phen)(2)dppz](2+) as a function of environment, in which studies have been carried out in aqueous and nonaqueous media and in DNA. The results are considered in rotation to a previous report describing environment-sensitive lowest triplet MLCT states. Vibrational marker features and enhancement patterns were used to determine the rapid progression (< 20 ps) between two triplet MLCT states in aqueous environment, followed by subnanosecond, nonradiative deactivation to the ground state. In nonaqueous environment, the long-lived, emissive triplet MLCT state is spectrally identified as the short-lived first triplet MLCT state observed in water, in agreement with the earlier proposed mechanism. The present data are shown to correlate well with previous nanosecond RR findings for the complex in each environment. Interestingly, a precursor state has been identified upon excitation in both nonaqueous solvent and in DNA, which precedes the triplet MLCT state, and the lifetime of which appears to be environment dependent. Observation of this state is discussed in relation to other recent femtosecond spectroscopic studies on this complex.
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| 2. |
- Förster, A, et al.
(author)
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Baseline characterization of the CO2SINK geological storage site at Ketzin, Germany
- 2006
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In: Environmental Geosciences. - : American Association of Petroleum Geologists AAPG/Datapages. - 1075-9565 .- 1526-0984. ; 13:3, s. 145-161
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Journal article (peer-reviewed)abstract
- Since April 2004, preparatory work prior to CO2injection hasbeen conducted in the CO2SINK Project, the European Union’sfirst research and development activity on the in-situ testing ofgeological storage of CO2near the town of Ketzin, Germany.Carbon dioxide will be injected into a saline aquifer of the TriassicStuttgart Formation in an anticlinal structure of the northeastGerman Basin. The drilling of one injection and two observationwells will commence at the end of 2006. The predrilling phasefocuses on the baseline geological parameters of the anticline. TheStuttgart Formation is lithologically heterogeneous; it consists ofsandy channel-(string)-facies rocks, with good reservoir propertiesalternating with muddy flood-plain-facies rocks of poor reservoirquality. Playa-type rocks form the immediate cap rock above theCO2SINK reservoir. A geostatistical approach has been applied todescribe the reservoir architecture between and beyond well con-trol. This model forms the basis for the generation of reservoir-dynamic models of CO2injection that assist in the planning ofinjection operations and in the understanding of CO2plume evo-lution. A verification of the geometry of the reservoir and thestructural situation of its overburden is expected from a three-dimensional baseline seismic survey that was conducted in theautumn of 2005. Laboratory experiments under simulated in-situconditions were performed to evaluate the geophysical signatureof rocks saturated with CO2. The chemical composition of thegroundwater and the CO2flux in the soil were analyzed across theKetzin anticline, providing the baseline for a monitoring programduring and after injection of CO2, targeted at the detection ofpotential CO2leakage from the storage reservoir.
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| 3. |
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| 4. |
- Gawronski, J., et al.
(author)
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Novel Chiral Pyromellitdiimide (1,2,4,5-Benzenetetracarboxydiimide) Dimers and Trimers: Exploring Their Structure, Electronic Transitions and Exciton Coupling
- 2002
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In: Chemistry - A European Journal. - 1521-3765 .- 0947-6539. ; 8, s. 2484-2494 and ibid. 2833
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Journal article (peer-reviewed)abstract
- The chiral but highly symmetrical acyclic and cyclic pyromellitic diimide dimers and trimers 2-5 have been obtained and characterized for the first time. The pyromellitdiimide chromophores in these molecules are linked by a rigid diequatorially 1,2-disubstituted cyclohexane skeleton. The structures of the compounds have been determined in detail by molecular modeling and, in the case of cyclic dimer 4 and trimer 5, by means of X-ray diffraction analysis. The electronically excited states of the pyromellitdiimide chromophore (1a) have been studied in these and other model compounds by means of linear dichroism (LD), magnetic circular dichroism (MCD), and circular dichroism (CD) spectroscopy. CD spectra of the rigid cyclic trimer 5 have provided the most detailed information on the excited states of the pyromellitdiimide chromophore. The low-energy tail (340-360 nm) of the absorption envelope can be assigned to out-of-plane polarized n-pi* transitions (I, II). The higher energy bands are due to contributions from up to six pi-pi* transitions, these being polarized either along the long (IV-VI, VIII) or short axis (III, VII). The results of ab initio CIS/cc-pVDZ and semiempirical INDO/S-CI calculations have been compared with the experimental data. CD Cotton effects in the region 200260 nm, which result from exciton interactions between electric dipole allowed transitions of two pyromellitdiimide chromophores in compounds 2-5, provide reliable and useful information concerning the conformation and absolute configuration of these molecules, which may be extrapolated to other oligoimide systems.
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| 5. |
- Ljungberg, Kajsa B, et al.
(author)
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Computational Modelling of Inhibitor Binding to Human Thrombin
- 2001
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In: Eur. J. Pharm. Sci.. ; 12:4, s. 441-446
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Journal article (peer-reviewed)abstract
- Thrombin is an essential protein involved in blood clot formation and an important clinical target, since disturbances of the coagulation process cause serious cardiovascular diseases such as thrombosis. Here we evaluate the performance of a molecular dynamics based method for predicting the binding affinities of different types ofhuman thrombin inhibitors. Far a series of eight ligands the method ranks their relative affinities reasonably well. The binding free energy difference between high and low affinity representatives in the test set is quantitatively reproduced, as well as the stereospecificity for a chiral inhibitor. The original parametrisation of this linear interaction energy method requires the addition of a constant energy term in the case of thrombin. This yields a mean unsigned error of 0.68 kcal/mol for the absolute binding free energies. This type of approach is also useful for elucidating three-dimensional structure-activity relationships in terms ofmicroscopic interactions of the ligands with the solvated enzyme.
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| 6. |
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| 7. |
- van Schijndel, N. H., et al.
(author)
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Adaptive RD Optimized Hybrid Sound Coding
- 2008
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In: Journal of The Audio Engineering Society. - 1549-4950. ; 56:10, s. 787-809
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Journal article (peer-reviewed)abstract
- Traditionally, sound codecs have been developed with a particular application in mind, their performance being optimized for specific types of input signals, such as speech or audio (music), and application constraints, such as low bit rate, high quality, or low delay. There is, however, an increasing need for more generic sound codecs, created by the emergence of heterogeneous networks and the convergence of communication and entertainment devices. To obtain such versatility, this study employs hybrid sound coding based on operational rate-distortion (RD) optimization principles. Applying this concept, a prototype coder has been implemented with emphasis on (dynamic) adaptation to the input and to application constraints. With this prototype, listening tests have been performed for different application scenarios. The results demonstrate the versatility of the concept while keeping competitive sound quality compared to dedicated state-of-the-art codecs.
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| 8. |
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| 9. |
- Fehrman-Ekholm, Ingela, 1947, et al.
(author)
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Single or double arteries in the remnant kidney after donation: influence on the long-term outcome of the donor.
- 2009
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In: Transplantation proceedings. - : Elsevier BV. - 0041-1345. ; 41:2, s. 764-5
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Journal article (peer-reviewed)abstract
- BACKGROUND: A kidney with a single artery is preferred for donation. We wondered how often the donor is left with double or triple arteries, and whether this has any implications for long-term kidney function. METHODS: The consecutive living donors from 1984 to 1988 were reevaluated for kidney function and outcome. RESULTS: In total, 154 donor nephrectomies were performed with an open anterior technique. Ninety-eight patients were left with a single artery to the remnant kidney and 56 (36%) with more than one. Six individuals were left with 3 arteries. The mean age at donation was 48 +/- 12 years and mean age at reevaluation was 68 +/- SD 12 years. In the group with a remnant single artery, the mean preoperative serum creatinine level was 87 +/- 11 micromol/L, at 6 months it was 127 +/- 20 micromol/L, and in 2007 it was 90 +/- SD 23 micromol/L. The estimated glomerular filtration rate (GFR) was 67 +/- 18 mL/min. Thirty-three percent of donors (19/58) had developed hypertension. Among the group with multiple remnant arteries, the mean preoperative serum creatinine level was 87 +/- SD 11 micromol/L, at 6 months it was 131 +/- 21 micromol/L, and in 2007 it was 100 +/- 45 micromol/L. Estimated GFR was 64 +/- 16) mL/min. Twenty-eight percent of the donors (10/36) had developed hypertension. CONCLUSIONS: One third of kidney donors were left with double or triple arteries to the remnant kidney. The 20-year follow-up showed no significant difference in the renal function between the 2 groups.
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