| 1. |
- Heier, C. R., et al.
(författare)
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Multi-Omics Identifies Circulating miRNA and Protein Biomarkers for Facioscapulohumeral Dystrophy
- 2020
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Ingår i: Journal of Personalized Medicine. - : MDPI AG. - 2075-4426. ; 10:4
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Tidskriftsartikel (refereegranskat)abstract
- The development of therapeutics for muscle diseases such as facioscapulohumeral dystrophy (FSHD) is impeded by a lack of objective, minimally invasive biomarkers. Here we identify circulating miRNAs and proteins that are dysregulated in early-onset FSHD patients to develop blood-based molecular biomarkers. Plasma samples from clinically characterized individuals with early-onset FSHD provide a discovery group and are compared to healthy control volunteers. Low-density quantitative polymerase chain reaction (PCR)-based arrays identify 19 candidate miRNAs, while mass spectrometry proteomic analysis identifies 13 candidate proteins. Bioinformatic analysis of chromatin immunoprecipitation (ChIP)-seq data shows that the FSHD-dysregulated DUX4 transcription factor binds to regulatory regions of several candidate miRNAs. This panel of miRNAs also shows ChIP signatures consistent with regulation by additional transcription factors which are up-regulated in FSHD (FOS, EGR1, MYC, and YY1). Validation studies in a separate group of patients with FSHD show consistent up-regulation of miR-100, miR-103, miR-146b, miR-29b, miR-34a, miR-454, miR-505, and miR-576. An increase in the expression of S100A8 protein, an inflammatory regulatory factor and subunit of calprotectin, is validated by Enzyme-Linked Immunosorbent Assay (ELISA). Bioinformatic analyses of proteomics and miRNA data further support a model of calprotectin and toll-like receptor 4 (TLR4) pathway dysregulation in FSHD. Moving forward, this panel of miRNAs, along with S100A8 and calprotectin, merit further investigation as monitoring and pharmacodynamic biomarkers for FSHD.
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| 2. |
- Halder, S., et al.
(författare)
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Control of Dy 164 Bose-Einstein condensate phases and dynamics with dipolar anisotropy
- 2022
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Ingår i: Physical Review Research. - 2643-1564. ; 4:4
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Tidskriftsartikel (refereegranskat)abstract
- We investigate the quench dynamics of quasi-one- and two-dimensional dipolar Bose-Einstein condensates of Dy164 atoms under the influence of a fast rotating magnetic field. The magnetic field thus controls both the magnitude and sign of the dipolar potential. We account for quantum fluctuations, critical to formation of exotic quantum droplet and supersolid phases in the extended Gross-Pitaevskii formalism, which includes the so-called Lee-Huang-Yang correction. An analytical variational ansatz allows us to obtain the phase diagrams of the superfluid and droplet phases. The crossover from the superfluid to the supersolid phase and to single and droplet arrays is probed with particle number and dipolar interaction. The dipolar strength is tuned by rotating the magnetic field with subsequent effects on phase boundaries. Following interaction quenches across the aforementioned phases, we monitor the dynamical formation of supersolid clusters or droplet lattices. We include losses due to three-body recombination over the crossover regime, where the three-body recombination rate coefficient scales with the fourth power of the scattering length (as) or the dipole length (add). For fixed values of the dimensionless parameter, ϵdd=add/as, tuning the dipolar anisotropy leads to an enhancement of the droplet lifetimes.
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| 3. |
- Panigrahi, P., et al.
(författare)
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Tuning the selective sensing properties of transition metal dichalcogenides (MoX2 X= Se, Te) toward sulfurrich gases
- 2022
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Ingår i: Materials Today Chemistry. - : Elsevier. - 2468-5194. ; 26
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Tidskriftsartikel (refereegranskat)abstract
- There is an urgent need for an efficient sensor to mitigate the effects of toxic pollutants possessing severe impacts on humans and the environment. Motivated by this, we investigated the selected transition metal dichalcogenides (MoX2: X = Se, Te) monolayers toward the toxic sulfur-containing gases, such as H2S and SO2. We employed density functional theory simulations in combination with nonequilibrium Green's function formalism to study the optimized geometries, binding strength, electronic structures, charge transfer mechanism, and transport (current-voltage) characteristics of MoX2 with and without H2S and SO2. Weak binding energies (<-0.30 eV) of H2S/SO2 on pristine MoX2 were enhanced by selectively substituting the latter with elements like As, Ge, and Sb at lower doping concentrations of around 2%. We find that the doped MoX2 strongly adsorbs H2S/SO2 yielding significant changes in their electronic properties, which were the fundamentals for the efficient sensing mechanism and were studied through the density of states and work function calculations. For the practical sensing applica-tions, we considered the statistical thermodynamic analysis to investigate the sensing properties of pristine and doped MoX2 monolayers under varied conditions of the temperatures and pressures. We are confident that our findings would pave the way for synthesizing sensitive and selective transition metal dichalcogenides-based nanosensor toward H2S/SO2.
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| 4. |
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| 5. |
- Coll, M., et al.
(författare)
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Towards Oxide Electronics: a Roadmap
- 2019
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Ingår i: Applied Surface Science. - : Elsevier BV. - 0169-4332 .- 1873-5584. ; 482, s. 1-93
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Tidskriftsartikel (refereegranskat)abstract
- At the end of a rush lasting over half a century, in which CMOS technology has been experiencing a constant and breathtaking increase of device speed and density, Moore’s law is approaching the insurmountable barrier given by the ultimate atomic nature of matter. A major challenge for 21st century scientists is finding novel strategies, concepts and materials for replacing silicon-based CMOS semiconductor technologies and guaranteeing a continued and steady technological progress in next decades. Among the materials classes candidate to contribute to this momentous challenge, oxide films and heterostructures are a particularly appealing hunting ground. The vastity, intended in pure chemical terms, of this class of compounds, the complexity of their correlated behaviour, and the wealth of functional properties they display, has already made these systems the subject of choice, worldwide, of a strongly networked, dynamic and interdisciplinary research community. Oxide science and technology has been the target of a wide four-year project, named Towards Oxide-Based Electronics (TO-BE), that has been recently running in Europe and has involved as participants several hundred scientists from 29 EU countries. In this review and perspective paper, published as a final deliverable of the TO-BE Action, the opportunities of oxides as future electronic materials for Information and Communication Technologies ICT and Energy are discussed. The paper is organized as a set of contributions, all selected and ordered as individual building blocks of a wider general scheme. After a brief preface by the editors and an introductory contribution, two sections follow. The first is mainly devoted to providing a perspective on the latest theoretical and experimental methods that are employed to investigate oxides and to produce oxide-based films, heterostructures and devices. In the second, all contributions are dedicated to different specific fields of applications of oxide thin films and heterostructures, in sectors as data storage and computing, optics and plasmonics, magnonics, energy conversion and harvesting, and power electronics.
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| 6. |
- Ian, Jason J., et al.
(författare)
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Superalkali functionalized two-dimensional haeckelite monolayers : A novel hydrogen storage architecture
- 2022
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Ingår i: International journal of hydrogen energy. - : Elsevier. - 0360-3199 .- 1879-3487. ; 47:78, s. 33391-33402
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Tidskriftsartikel (refereegranskat)abstract
- Exploring efficient storage mediums is the key challenge to accomplish a sustainable hydrogen economy. Material-based hydrogen (H-2) storage is safe, economically viable and possesses high gravimetric density. Here, we have designed a novel H-2 storage architecture by decorating graphene-like haeckelite (r57) sheets with the super-alkali (NLi4) clusters, which bonded strongly with the r57. We have performed van der Waals corrected density functional theory (DFT) calculations to study the structural, electronic, energetic, charge transfer, and H-2 storage properties of one-sided (r57-NLi4) and two-sided (r57-2NLi(4)) coverage of r57 sheets. Exceptionally high H-2 storage capacities of 10.74%, and 17.01% have been achieved for r57-NLi4, and r57-2NLi(4) systems, respectively that comfortably surpass the U.S. Department of Energy's (DOE) targets. Under maximum hydrogenation, the average H-2 adsorption energies have been found as -0.32 eV/H-2, which is ideal for reversible H-2 storage applications. We have further studied the effects of mechanical strain to explore the H-2 desorption mechanism. Statistical thermodynamic analysis has been employed to study the H-2 storage mechanism at varied conditions of pressures and temperatures. Our findings validate the potential of r57-xNLi(4) as efficient H-2 storage materials.
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| 7. |
- Islam, M. S., et al.
(författare)
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Augmenting the sensing aptitude of hydrogenated graphene by crafting with defects and dopants
- 2016
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Ingår i: Sensors and actuators. B, Chemical. - : Elsevier. - 0925-4005 .- 1873-3077. ; 228, s. 317-321
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Tidskriftsartikel (refereegranskat)abstract
- Density functional theory (DFT) level calculations were performed to study the interaction of hydrogenated graphene (CH) monolayer towards methane (CH4) gas molecules. The structural, electronic and gas sensing properties of pure, defected and light metal-doped CH monolayer were investigated. For the pristine CH, the estimated binding energy of CH4 fell short of the desired physisorption range and limit its gas sensing application at ambient conditions. However, upon crafting defects on pure CH layer by introducing hydrogen vacancies, a sharp increase in adsorption energies were observed when the CH4 molecules approached the defected sites of CH. Further, the effect of metal doping was studied by uniformly distributing light metal adatoms on CH monolayer which significantly enhanced the CH4 adsorption. To have better accuracy in calculating adsorption energies, we have incorporated van der Waals type corrections to our calculations for these weakly interacting systems.
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| 8. |
- Islam, Muhammed Shafiqul, et al.
(författare)
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Augmenting the sensing aptitude of hydrogenated graphene by crafting with defects and dopants
- 2016
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Ingår i: Sensors and actuators. B, Chemical. - : Elsevier BV. - 0925-4005 .- 1873-3077. ; 228, s. 317-321
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Tidskriftsartikel (refereegranskat)abstract
- Density functional theory (DFT) level calculations were performed to study the interaction of hydrogenated graphene (CH) monolayer towards methane (CH4) gas molecules. The structural, electronic and gas sensing properties of pure, defected and light metal-doped CH monolayer were investigated. For the pristine CH, the estimated binding energy of CH4 fell short of the desired physisorption range and limit its gas sensing application at ambient conditions. However, upon crafting defects on pure CH layer by introducing hydrogen vacancies, a sharp increase in adsorption energies were observed when the CH4 molecules approached the defected sites of CH. Further, the effect of metal doping was studied by uniformly distributing light metal adatoms on CH monolayer which significantly enhanced the CH4 adsorption. To have better accuracy in calculating adsorption energies, we have incorporated van der Waals type corrections to our calculations for these weakly interacting systems.
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| 9. |
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| 10. |
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