| 1. |
- Sjöström, Lars, et al.
(författare)
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Effects of bariatric surgery on mortality in Swedish obese subjects.
- 2007
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Ingår i: The New England journal of medicine. - 1533-4406. ; 357:8, s. 741-52
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Tidskriftsartikel (refereegranskat)abstract
- BACKGROUND: Obesity is associated with increased mortality. Weight loss improves cardiovascular risk factors, but no prospective interventional studies have reported whether weight loss decreases overall mortality. In fact, many observational studies suggest that weight reduction is associated with increased mortality. METHODS: The prospective, controlled Swedish Obese Subjects study involved 4047 obese subjects. Of these subjects, 2010 underwent bariatric surgery (surgery group) and 2037 received conventional treatment (matched control group). We report on overall mortality during an average of 10.9 years of follow-up. At the time of the analysis (November 1, 2005), vital status was known for all but three subjects (follow-up rate, 99.9%). RESULTS: The average weight change in control subjects was less than +/-2% during the period of up to 15 years during which weights were recorded. Maximum weight losses in the surgical subgroups were observed after 1 to 2 years: gastric bypass, 32%; vertical-banded gastroplasty, 25%; and banding, 20%. After 10 years, the weight losses from baseline were stabilized at 25%, 16%, and 14%, respectively. There were 129 deaths in the control group and 101 deaths in the surgery group. The unadjusted overall hazard ratio was 0.76 in the surgery group (P=0.04), as compared with the control group, and the hazard ratio adjusted for sex, age, and risk factors was 0.71 (P=0.01). The most common causes of death were myocardial infarction (control group, 25 subjects; surgery group, 13 subjects) and cancer (control group, 47; surgery group, 29). CONCLUSIONS: Bariatric surgery for severe obesity is associated with long-term weight loss and decreased overall mortality.
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| 2. |
- Apostolov, Rossen, et al.
(författare)
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Scalable Software Services for Life Science
- 2011
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Ingår i: Proceedings of 9th HealthGrid conference.
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Konferensbidrag (refereegranskat)abstract
- Life Science is developing into one of the largest e- Infrastructure users in Europe, in part due to the ever-growing amount of biological data. Modern drug design typically includes both sequence bioinformatics, in silico virtual screening, and free energy calculations, e.g. of drug binding. This development will accelerate tremendously, and puts high demands on simulation software and support services. e-Infrastructure projects such as PRACE/DEISA have made important advances on hardware and scalability, but have largely been focused on theoretical scalability for large systems, while typical life science applications rather concern small-to-medium size molecules. Here, we propose to address this with by implementing new techniques for efficient small-system parallelization combined with throughput and ensemble computing to enable the life science community to exploit the largest next-generation e-Infrastructures. We will also build a new cross-disciplinary Competence Network for all of life science, to position Europe as the world-leading community for development and maintenance of this software e-Infrastructure. Specifically, we will (1) develop new hierarchical parallelization approaches explicitly based on ensemble and high-throughput computing for new multi-core and streaming/GPU architectures, and establish open software standards for data storage and exchange, (2) implement, document, and maintain such techniques in pilot European open-source codes such as the widely used GROMACS & DALTON, a new application for ensemble simulation (DISCRETE), and large-scale bioinformatics protein annotation, (3) create a Competence Centre for scalable life science software to strengthen Europe as a major software provider and to enable the community to exploit e-Infrastructures to their full extent. This Competence Network will provide training and support infrastructure, and establish a long-term framework for maintenance and optimization of life science codes.
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| 3. |
- Deng, Xuefan, et al.
(författare)
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A new strategy for boron cluster-based metal boride (Co2B) synthesis and its applicability to electrocatalytic nitrate reduction
- 2024
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Ingår i: Chemical Engineering Journal. - : ELSEVIER SCIENCE SA. - 1385-8947 .- 1873-3212. ; 485
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Tidskriftsartikel (refereegranskat)abstract
- To achieve efficient conversion of nitrate to ammonia, it is necessary to design and develop electrode materials with high activity and efficiency for the electrocatalytic reduction reaction of nitrate (NO3RR). Due to its unique semi-metallic properties, the vacancy orbitals of boron are prone to accommodate electrons, so doping element B with transition metals is expected to change the local electronic configuration of the metal, which in turn affects the corresponding catalytic reaction. Here, we propose a new strategy for the preparation of metal borides by using dodecahydro-closo-dodecaborate and Co2+ complexed and calcined to prepare a novel metal boride-Co2B for electrocatalytic nitrate reduction. This modification considerably enhances the performance of NO3RR. Co2B exhibited a Faradaic efficiency of NH4+ (FENH4+) as high as 96.61 % at -0.5 V vs. RHE, achieving a remarkable NH4+ yield of 5.73 mg h-1 mgcat - 1. This study provides a new approach for designing catalysts for environmentallyfriendly ammonia synthesis.
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| 4. |
- Harczuk, Ignat, et al.
(författare)
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Studies of pH-Sensitive Optical Properties of the deGFP1 Green Fluorescent Protein Using a Unique Polarizable Force Field
- 2014
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Ingår i: Journal of Chemical Theory and Computation. - : American Chemical Society (ACS). - 1549-9618 .- 1549-9626. ; 10:8, s. 3492-3502
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Tidskriftsartikel (refereegranskat)abstract
- The aim of this study is to identify the responsible molecular forms for the pH dependent optical properties of the deGFP1 green fluorescent protein mutant. We have carried out static and dynamic type calculations for all four protonation states of the chromophore to unravel the contributions due to finite temperature and the flexible protein backbone on the pH dependent optical properties. In particular, we have used a combined molecular dynamics and density functional molecular mechanics linear response approach by means of which the optical property calculations were carried out for the chromophore in the explicitly treated solvent and bioenvironment. Two different models were used to describe the environment electronic embedding and polarizable electronic embedding accounting for the polarization of the chromophore and the mutual polarization between the chromophore and the environment, respectively. For this purpose a polarizable force field was derived quantum mechanically for the protein environment by use of analytical response theory. While the gas-phase calculations for the chromophore predict that the induced red shift going from low to high pH is attributed to the change of molecular forms from neutral to zwitterionic, the two more advanced models that explicitly account for the protein backbone attribute the pH shift to a neutral to anionic conversion. Some ramifications of the results for the use of GFPs as pH sensors are discussed.
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| 5. |
- Huang, Fuhua, et al.
(författare)
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Low-lying excited state energy trap induced by cross-relaxation - The main origin of concentration quenching in lanthanide upconversion nanoparticles
- 2023
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Ingår i: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388 .- 1873-4669. ; 936
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Tidskriftsartikel (refereegranskat)abstract
- In lanthanide-doped upconversion nanoparticles (UCNPs), the concentration of emitter ions, also known as activator ions, is usually limited to 1 - 5 mol% due to concentration quenching effects. This circumstance limits the luminescent efficiency of UCNPs' and their use in a variety of application areas. Earlier studies have attributed the activator concentration quenching to migration of energy to the nanoparticle surface, while indicating that cross-relaxation between activator ions had a minor role therein. In this work, we carried out comparative studies on Er3+-doped and Yb3+-Er3+ codoped UCNPs and could, in contrast to this notion, prove a general adverse effect of cross-relaxation between activator ions, here Er3+ ions, on up -conversion luminescence (UCL). The direct result of the cross-relaxation is that the energy of the excitation light is accumulated into a low-lying excited state of Er3+ in the infrared region, so forming a "low-lying excited state energy trap ". As a result, the excitation energy is used for generating down-conversion lu-minescence or for indirectly facilitating UCL channels that are directly related to the low-lying excited state energy trap. The identified effect can be used to regulate UCL channels to achieve a concentrated UCL band that is more favorable for certain applications, e.g., biological imaging.
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| 6. |
- Huang, Fuhua, et al.
(författare)
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Suppression of Cation Intermixing Highly Boosts the Performance of Core-Shell Lanthanide Upconversion Nanoparticles
- 2023
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Ingår i: Journal of the American Chemical Society. - : American Chemical Society (ACS). - 0002-7863 .- 1520-5126. ; 145:32, s. 17621-17631
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Tidskriftsartikel (refereegranskat)abstract
- Lanthanide upconversion nanoparticles (UCNPs) have beenextensivelyexplored as biomarkers, energy transducers, and information carriersin wide-ranging applications in areas from healthcare and energy toinformation technology. In promoting the brightness and enrichingthe functionalities of UCNPs, core-shell structural engineeringhas been well-established as an important approach. Despite its importance,a strong limiting issue has been identified, namely, cation intermixingin the interfacial region of the synthesized core-shell nanoparticles.Currently, there still exists confusion regarding this destructivephenomenon and there is a lack of facile means to reach a delicatecontrol of it. By means of a new set of experiments, we identify andprovide in this work a comprehensive picture for the major physicalmechanism of cation intermixing occurring in synthesis of core-shellUCNPs, i.e., partial or substantial core nanoparticle dissolutionfollowed by epitaxial growth of the outer layer and ripening of theentire particle. Based on this picture, we provide an easy but effectiveapproach to tackle this issue that enables us to produce UCNPs withhighly boosted optical properties.
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| 7. |
- Huang, Fuhua, et al.
(författare)
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Transient energy trapping as a size-conserving surface passivation strategy for producing bright ultrasmall upconversion nanoprobes
- 2023
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Ingår i: Nano Energy. - : Elsevier BV. - 2211-2855 .- 2211-3282. ; 105
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Tidskriftsartikel (refereegranskat)abstract
- Lanthanide-doped upconversion nanoparticles (UCNPs) have been widely exploited as nanoprobes or energy transducers in traditional as well as emerging biological applications, such as bioimaging, photodynamic ther-apy, optogenetics, gene editing. However, the breadth and depth of their utility in the biomedical areas are still not comparable to conventional luminescent probes, such as fluorescent dyes and semiconductor quantum dots. Their application is largely limited by their large size, typically > 20 nm, to ensure a sufficient luminescence brightness. In order to enhance the brightness of UCNPs without exceeding the critical size limitations for biomedical applications, we employ here a transient energy trapping effect as a nanoprobe surface passivation strategy to prevent deleterious distant energy migration in the host lattice, which is particularly prevalent in ultrasmall UCNPs and leads to luminescence quenching. We demonstrate this strategy by incorporating Tm3+ ions as energy trapping centers near the surface of sub-10 nm NaYF4: Yb, Er UCNPs and obtain an emission enhancement by almost one order of magnitude without any increment on the nanoparticle size. Our work presents a promising strategy for the preparation of ultrasmall and bright upconversion nanoprobes that are less vulnerable to surface quenching and that potentially minimize the interference with the object. This facilitates their biomedical applications as here demonstrated by unprecedented high-quality cell labeling and imaging, featured with very uniform nanoparticle distribution in the outer nuclear region.
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| 8. |
- Li, Xing, et al.
(författare)
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Enhanced Photocurrent Density by Spin-Coated NiO Photocathodes for N-Annulated Perylene-Based p-Type Dye-Sensitized Solar Cells
- 2016
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Ingår i: ACS Applied Materials and Interfaces. - : American Chemical Society (ACS). - 1944-8244 .- 1944-8252. ; 8:30, s. 19393-19401
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Tidskriftsartikel (refereegranskat)abstract
- The low photocurrent density of p-type dye sensitized solar cells (p-DSSCs) has limited the development of high-efficiency tandem cells due to the inadequate light harvesting ability of sensitizers and the low hole mobility of semiconductors. Hereby, two new "push-pull" type organic dyes (PQ-1 and PQ-2) containing N-annulated perylene as electron donor have been synthesized, where the PQ-2-based p-DSSCs show higher photoelectric conversion efficiency (PCE) of 0.316% owing to the higher molar extinction compared to of that PQ-1. Additionally, the photocurrent densities were remarkably increased from 2.20 to 5.85 mA cm(-2) for PQ-1 and 2.45 to 6.69 mA cm(-2) for PQ-2 by spin coated NiO photocathode based-p-DSSCs, respectively. This results are ascribed to the enhancement of hole transport rate, dye loading amounts and transparency of NiO films in comparison to that prepared by screen-printing method. Electrochemical impedance spectroscopy and theoretical calculations studies indicate that the molecular dipole moment approaching closer to the NiO surface shifts the quasi-Fermi level to more positive levels, improving,open-circuit voltage (V-oc). Intensity-modulated photocurrent spectroscopy illustrates that the hole transit time in NiO films prepared in spin-coating is shorter than that prepared by screen-printing method.
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| 9. |
- Lindblad, Rebecka, et al.
(författare)
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Experimental and theoretical near-edge x-ray-absorption fine-structure studies of NO
- 2022
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Ingår i: Physical Review A: covering atomic, molecular, and optical physics and quantum information. - : American Physical Society (APS). - 2469-9926 .- 2469-9934. ; 106:4
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Tidskriftsartikel (refereegranskat)abstract
- Experimental near-edge x-ray-absorption fine-structure (NEXAFS) spectra of the nitrosonium NO+ ion are presented and theoretically analyzed. While neutral NO has an open shell, the cation is a closed-shell species, which for NEXAFS leads to the simplicity of a closed-shell spectrum. Compared to neutral NO, the electrons in the cation experience a stronger Coulomb potential, which introduces a shift of the ionization potential towards higher energies, a depletion of intensity in a large interval above the pi* resonance, and a shift of the sigma* resonance from the continuum to below the ionization threshold. NEXAFS features at the nitrogen and oxygen K edges of NO+ are compared, as well as NEXAFS features at the nitrogen edges of the isoelectronic closed-shell species NO+, N2, and N2H+.
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| 10. |
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