| 1. |
- Mercuri, E., et al.
(författare)
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Safety and effectiveness of ataluren: comparison of results from the STRIDE Registry and CINRG DMD Natural History Study
- 2020
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Ingår i: Journal of Comparative Effectiveness Research. - : Becaris Publishing Limited. - 2042-6305 .- 2042-6313. ; 9:5, s. 341-360
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Tidskriftsartikel (refereegranskat)abstract
- Aim: Strategic Targeting of Registries and International Database of Excellence (STRIDE) is an ongoing, multicenter registry providing real-world evidence regarding ataluren use in patients with nonsense mutation Duchenne muscular dystrophy (nmDMD). We examined the effectiveness of ataluren + standard of care (SoC) in the registry versus SoC alone in the Cooperative International Neuromuscular Research Group (CINRG) Duchenne Natural History Study (DNHS), DMD genotype-phenotype/-ataluren benefit correlations and ataluren safety. Patients & methods: Propensity score matching was performed to identify STRIDE and CINRG DNHS patients who were comparable in established disease progression predictors (registry cut-off date, 9 July 2018). Results & conclusion: Kaplan-Meier analyses demonstrated that ataluren + SoC significantly delayed age at loss of ambulation and age at worsening performance in timed function tests versus SoC alone (p <= 0.05). There were no DMD genotype-phenotype/ataluren benefit correlations. Ataluren was well tolerated. These results indicate that ataluren + SoC delays functional milestones of DMD progression in patients with nmDMD in routine clinical practice. ClinicalTrials.gov identifier: NCT02369731. ClinicalTrials.gov identifier: NCT02369731.
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| 2. |
- Glasbey, JC, et al.
(författare)
-
- 2021
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swepub:Mat__t
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| 3. |
- Tabiri, S, et al.
(författare)
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- 2021
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swepub:Mat__t
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| 4. |
- Ivanov, Alexander V., et al.
(författare)
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Chemisorption Synthesis of the Ion-Polymeric Heteronuclear Gold(III)-Bismuth(III) Complex ([Au{S2CN(C3H7)2}2]3[Bi2Cl9])n Based on [Bi2{S2CN(C3H7)2}6]: 13C MAS NMR, Supramolecular Structure, and Thermal Behavior
- 2018
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Ingår i: Russian journal of coordination chemistry. - : Springer. - 1070-3284 .- 1608-3318. ; 44:8, s. 518-531
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Tidskriftsartikel (refereegranskat)abstract
- Chemisorption synthesis on the basis of the binuclear compound [Bi2{S2CN(C3H7)2}6] (I) and preparative isolation of the ion-polymeric heteronuclear gold(III)-bismuth(III) complex ([Au{S2CN(C3H7)2}2]3[Bi2Cl9])n (II) are carried out. Compounds I and II are characterized in comparison by IR spectroscopy and 13C CP-MAS NMR. According to the X-ray diffraction analysis data (CIF file CCDC no. 1407705), the cationic moiety of compound II exhibits an unusually complicated supramolecular structure including six isomeric noncentrosymmetric complex cations [Au{S2CN(C3H7)2}2]+ (hereinafter A-F) and two binuclear anions [Bi2Cl9]3- as conformers. The isomeric gold(III) cations perform various structural functions. Owing to pair secondary interactions Au···S, cations B, C, E, and F form centrosymmetric ([E···E], [F···F]) and noncentrosymmetric ([B···C]) binuclear aggregates [Au2{S2CN(C3H7)2}4]2+, whereas cations A and D are not involved in dimerization. The strongest secondary Au···S bonds are formed between the binuclear and mononuclear cations, resulting in the formation of supramolecular cation-cationic polymer chains of two types: (⋅⋅⋅A⋅⋅⋅[B⋅⋅⋅C]⋅⋅⋅A⋅⋅⋅[B⋅⋅⋅C]⋅⋅⋅)n and (D⋅⋅⋅[E⋅⋅⋅E]⋅⋅⋅D⋅⋅⋅[F⋅⋅⋅F]⋅⋅⋅])n. In both chains, the gold atoms of the binuclear cations are characterized by a distorted octahedral coordination [S6], whereas in the mononuclear cations the gold atoms retain the square environment [S4]. The cation-anionic interactions are provided by secondary bonds Cl⋅⋅⋅S involving the terminal chlorine atoms of isomeric [Bi2Cl9]3- and the sulfur atoms of the binuclear cations [Au2{S2CN(C3H7)2}4]2+. The character of the thermal behavior of compounds I and II is studied by simultaneous thermal analysis with the identification of intermediate and final products of the thermal transformations. The thermolysis of compound I at 193-320°C is accompanied by the formation of Bi2S3 with an impurity of reduced metallic bismuth particles. The final products of the thermal transformations of compound II are reduced elemental gold and Bi2O3, and the thermal transformation intermediates are BiCl3 and Bi2S3.
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| 5. |
- Khatri, C, et al.
(författare)
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Outcomes after perioperative SARS-CoV-2 infection in patients with proximal femoral fractures: an international cohort study
- 2021
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Ingår i: BMJ open. - : BMJ. - 2044-6055. ; 11:11, s. e050830-
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Tidskriftsartikel (refereegranskat)abstract
- Studies have demonstrated high rates of mortality in people with proximal femoral fracture and SARS-CoV-2, but there is limited published data on the factors that influence mortality for clinicians to make informed treatment decisions. This study aims to report the 30-day mortality associated with perioperative infection of patients undergoing surgery for proximal femoral fractures and to examine the factors that influence mortality in a multivariate analysis.SettingProspective, international, multicentre, observational cohort study.ParticipantsPatients undergoing any operation for a proximal femoral fracture from 1 February to 30 April 2020 and with perioperative SARS-CoV-2 infection (either 7 days prior or 30-day postoperative).Primary outcome30-day mortality. Multivariate modelling was performed to identify factors associated with 30-day mortality.ResultsThis study reports included 1063 patients from 174 hospitals in 19 countries. Overall 30-day mortality was 29.4% (313/1063). In an adjusted model, 30-day mortality was associated with male gender (OR 2.29, 95% CI 1.68 to 3.13, p<0.001), age >80 years (OR 1.60, 95% CI 1.1 to 2.31, p=0.013), preoperative diagnosis of dementia (OR 1.57, 95% CI 1.15 to 2.16, p=0.005), kidney disease (OR 1.73, 95% CI 1.18 to 2.55, p=0.005) and congestive heart failure (OR 1.62, 95% CI 1.06 to 2.48, p=0.025). Mortality at 30 days was lower in patients with a preoperative diagnosis of SARS-CoV-2 (OR 0.6, 95% CI 0.6 (0.42 to 0.85), p=0.004). There was no difference in mortality in patients with an increase to delay in surgery (p=0.220) or type of anaesthetic given (p=0.787).ConclusionsPatients undergoing surgery for a proximal femoral fracture with a perioperative infection of SARS-CoV-2 have a high rate of mortality. This study would support the need for providing these patients with individualised medical and anaesthetic care, including medical optimisation before theatre. Careful preoperative counselling is needed for those with a proximal femoral fracture and SARS-CoV-2, especially those in the highest risk groups.Trial registration numberNCT04323644
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| 6. |
- Bravo, L, et al.
(författare)
-
- 2021
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swepub:Mat__t
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| 7. |
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| 8. |
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| 9. |
- Bredyuk, O.A., et al.
(författare)
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Three-Dimensional Polymeric Thallium(I) Morpholinedithiocarbamate [Tl2{S2CN(CH2)4O}2]n and Its Capability of Binding Gold(III) from Solutions : Chemisorption Synthesis of a Heteronuclear Gold(III)–Thallium(III) Complex of the Ionic Type, ([Au{S2CN(CH2)4O}2][TlCl4])n, the Role of Secondary Interactions Tl…O, Tl…S, and Au…S in the Supramolecular Self-Organization, 13C MAS NMR, and Thermal Behavior
- 2017
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Ingår i: Russian journal of coordination chemistry. - : Maik Nauka Publishing. - 1070-3284 .- 1608-3318. ; 43:10, s. 638-651
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Tidskriftsartikel (refereegranskat)abstract
- Crystalline polymeric thallium(I) morpholinedithiocarbamate [Tl2{S2CN(CH2)4O}2]n (I) and the heteronuclear ion–polymeric gold(III)–thalium(III) complex ([Au{S2CN(CH2)4O}2][TlCl4])n (II) are preparatively isolated and characterized by X-ray diffraction analysis and 13C MAS NMR spectroscopy. According to the X-ray diffraction data, the main structural units of compounds I and II (CIF files CCDC 1548079 and 1548080) are presented by the binuclear centrosymmetric molecule [Tl2{S2CN(CH2)4O}2], noncentrosymmetric complex cation [Au{S2CN(CH2)4O{2]+, and isomeric complex anions [TlCl4]–. The formation of the three-dimensional polymeric structure (coordination number of Tl is 7), which is not characteristic of thallium(I) dithiocarbamates, is a consequence of the participation of the secondary Tl…O and Tl…S bonds of two types in the supramolecular self-organization of compound I. Nonequivalent secondary interactions of the first type join the binuclear molecules [Tl2{S2CN(CH2)4O}2] into polymer layers, which, in turn, form the three-dimensional polymeric framework due to the secondary bonds Tl…S. The revealed ability of freshly precipitated compound I to the chemisorption of gold(III) from solutions (2 M HCl) makes it possible to obtain heteronuclear supramolecular complex II as an individual form of binding. In the structure of the latter, the pairs of stronger secondary Au…S bonds join the gold(III) cations into dimers [Au2{S2CN(CH2)4O}4]2+ of the angular structure, the structural ordering of which is achieved in the cationcationic polymeric chain ([Au2{S2CN(CH2)4O}4]2+)n of the helical type involving the pairs of less strong Au…S bonds between the adjacent binuclear units. The distorted tetrahedral anions [TlCl4]– are localized between the polymeric chains. The study of the thermal behavior of compounds I and II by simultaneous thermal analysis makes it possible to establish the character of thermal transformations of the substances and to identify Tl2S (I), TlCl, and elemental gold (II) as thermolysis products
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| 10. |
- Gowda, V. Krishne, et al.
(författare)
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Nanofibril Alignment during Assembly Revealed by an X-ray Scattering-Based Digital Twin
- 2022
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Ingår i: ACS Nano. - : American Chemical Society (ACS). - 1936-0851 .- 1936-086X. ; 16:2, s. 2120-2132
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Tidskriftsartikel (refereegranskat)abstract
- The nanostructure, primarily particle orientation, controls mechanical and functional (e.g., mouthfeel, cell compatibility, optical, morphing) properties when macroscopic materials are assembled from nanofibrils. Understanding and controlling the nanostructure is therefore an important key for the continued development of nanotechnology. We merge recent developments in the assembly of biological nanofibrils, X-ray diffraction orientation measurements, and computational fluid dynamics of complex flows. The result is a digital twin, which reveals the complete particle orientation in complex and transient flow situations, in particular the local alignment and spatial variation of the orientation distributions of different length fractions, both along the process and over a specific cross section. The methodology forms a necessary foundation for analysis and optimization of assembly involving anisotropic particles. Furthermore, it provides a bridge between advanced in operandi measurements of nanostructures and phenomena such as transitions between liquid crystal states and in silico studies of particle interactions and agglomeration.
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| 11. |
- Gowda, Vasantha, et al.
(författare)
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Structural investigations of rare earth dialkyl dithiocarbamate complexes: solid-state NMR, X-ray diffraction and DFT calculation studies
- 2013
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Konferensbidrag (övrigt vetenskapligt/konstnärligt)abstract
- In this study, we made an attempt to qualitatively study the structures of few rare earth metal complexes by employing solid state NMR, X-Ray Diffraction, and preliminary DFT calculations. High resolution 13C and 15N solid state CP/MAS NMR spectra were recorded for six diamagnetic polycrystalline rare earth dialkyldithiocarbamates of the general formula [(RE2S2CNR2)3 PHEN] (where RE=La or Y, R=C2H5, C3H7, and i-C3H7) [1]. Different isotropic 13C and 15N chemical shifts for the three dialkyldithiocarbamato groups were observed. Regulacio et al. (2005) inferred that irrespective of the alkyl chains, rare earth complexes of dialkyldithiocarbamates and phenanthroline (3:1) ligands always crystallize in a monoclinic system with a space P21/c group. However, comparative analysis of solid state 13C/15N CPMAS spectra of polycrystalline yttrium and lanthanum diethyldithiocarbamate complexes shows the presence of significant differences, indicating structural variations of these complexes. Also, quite different X-Ray diffraction powder pattern was observed for the above two complexes. Finally, the computational geometry optimization of Y and La complexes, followed by the preliminary calculation of 13C and 15N chemical shifts and shielding contributions with the ADF program [2], found to be very near to the experimental results.
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| 12. |
- Mittal, Nitesh, et al.
(författare)
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Multiscale Control of Nanocellulose Assembly : Transferring Remarkable Nanoscale Fibril Mechanics to Macroscale Fibers
- 2018
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Ingår i: ACS Nano. - : American Chemical Society (ACS). - 1936-0851 .- 1936-086X. ; 12:7, s. 6378-6388
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Tidskriftsartikel (refereegranskat)abstract
- Nanoscale building blocks of many materials exhibit extraordinary mechanical properties due to their defect-free molecular structure. Translation of these high mechanical properties to macroscopic materials represents a difficult materials engineering challenge due to the necessity to organize these building blocks into multiscale patterns and mitigate defects emerging at larger scales. Cellulose nanofibrils (CNFs), the most abundant structural element in living systems, has impressively high strength and stiffness, but natural or artificial cellulose composites are 3-15 times weaker than the CNFs. Here, we report the flow-assisted organization of CNFs into macroscale fibers with nearly perfect unidirectional alignment. Efficient stress transfer from macroscale to individual CNF due to cross-linking and high degree of order enables their Young's modulus to reach up to 86 GPa and a tensile strength of 1.57 GPa, exceeding the mechanical properties of known natural or synthetic biopolymeric materials. The specific strength of our CNF fibers engineered at multiscale also exceeds that of metals, alloys, and glass fibers, enhancing the potential of sustainable lightweight high-performance materials with multiscale self-organization.
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| 13. |
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| 14. |
- Barai, Manas, et al.
(författare)
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Physicochemical Studies on Amino Acid Based Metallosurfactants in Combination with Phospholipid
- 2024
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Ingår i: Chemistry - An Asian Journal. - : John Wiley & Sons. - 1861-4728 .- 1861-471X.
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Tidskriftsartikel (refereegranskat)abstract
- Dicarboxylate metallosurfactants (AASM), synthesized by mixing N-dodecyl aminomalonate, -aspartate and -glutamate with CaCl2, MnCl2 and CdCl2, were characterized by XRD, FTIR, and NMR spectroscopy. Layered structures, formed by metallosurfactants, were evidenced from differential scanning calorimetry and thermogravimetric analyses. Solvent-spread monolayer of AASM in combination with soyphosphatidylcholine (SPC) and cholesterol (CHOL) were studied using Langmuir surface balance. With increasing mole fraction of AASM mean molecular area increased and passed through maxima at ~60 mol% of AASMs, indicating molecular packing reorganization. Systems with 20 and 60 mol% AASM exhibited positive deviations from ideal behavior signifying repulsive interaction between the AASM and SPC, while synergistic interactions were established from the negative deviation at other combinations. Dynamic surface elasticity increased with increasing surface pressure signifying formation of rigid monolayer. Transition of monolayer from gaseous to liquid expanded to liquid condensed state was established by Brewster angle microscopic studies. Stability of the hybrid vesicles, formed by AASM+SPC+CHOL, was established by monitoring their size, zeta potential and polydispersity index values over 100 days. Size and spherical morphology of hybrid vesicles were confirmed by transmission electron microscopic studies. Biocompatibility of the hybrid vesicles were established by cytotoxicity studies revealing their possible applications in drug delivery and imaging.
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| 15. |
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| 16. |
- Gowda, Vasantha
(författare)
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Combined experimental and theoretical studies of dithiocarbamate complexes of yttrium, lanthanum and bismuth
- 2014
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Licentiatavhandling (övrigt vetenskapligt/konstnärligt)abstract
- Metal-dithiocarbamate complexes find wide-ranging applications in nanomaterial and metalseparation science, and have potential use as chemotherapeutic, pesticides, and as additives tolubricants. A highly versatile dialkyldithiocarbamate (R2NCS2–) ligand can form stablecomplexes with all the transition elements and also the majority of main group, lanthanide andactinide elements. Here we present structural investigations of the molecular and electronicstructures of dialkyldithiocarbamate complexes with yttrium(III), lanthanum(III), andbismuth(III) of molecular formula [Y{S2CN(C2H5)2}3PHEN], [La{S2CN(C2H5)2}3PHEN], and[Bi2{S2CN-n(C4H9)2}6] (where PHEN=1,10-Phenanthroline) . The experimental solid-state 13Cand 15N cross polarization magic-angle-spinning (CP-MAS) NMR results are reported for allthese three complexes. We also report new single-crystal X-ray structures of heterolepticyttrium, lanthanum, and homoleptic bismuth dialkyldithiocarbamate complexes. Thecomparative analysis of powder XRD patterns and solid-state 13C and 15N CP-MAS spectra ofpolycrystalline yttrium(III) and lanthanum(III) diethyldithiocarbamato-phenanthrolinecomplexes shows the presence of significant structural differences. The diethyldithiocarbamatophenanthrolinecomplex of yttrium has a very similar structural type to a previously reported Xraydiffraction structure for [Nd{S2CN(C2H5)2}3PHEN] whereas, the crystal structure of[La{S2CN(C2H5)2}3PHEN] is considerably more complex. Our NMR and single-crystal X-raydiffraction results suggested polymorphism for bismuth di-n-butyldithiocarbamate complex.Finally, the experimental NMR results are complemented by chemical shifts obtained usingquantum chemical methods and verified the spectral assignments. Overall, our workdemonstrates how different experimental and theoretical methods can be combined that canafford insights into the solid-state structure and bonding environments of metal complexes.
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| 17. |
- Gowda, V. Krishne, et al.
(författare)
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Effective interfacial tension in flow-focusing of colloidal dispersions : 3-D numerical simulations and experiments
- 2019
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Ingår i: Journal of Fluid Mechanics. - : CAMBRIDGE UNIV PRESS. - 0022-1120 .- 1469-7645. ; 876, s. 1052-1076
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Tidskriftsartikel (refereegranskat)abstract
- An interface between two miscible fluids is transient, existing as a non-equilibrium state before complete molecular mixing is reached. However, during the existence of such an interface, which typically occurs at relatively short time scales, composition gradients at the boundary between the two liquids cause stresses effectively mimicking an interfacial tension. Here, we combine numerical modelling and experiments to study the influence of an effective interfacial tension between a colloidal fibre dispersion and its own solvent on the flow in a microfluidic system. In a flow-focusing channel, the dispersion is injected as core flow that is hydrodynamically focused by its solvent as sheath flows. This leads to the formation of a long fluid thread, which is characterized in three dimensions using optical coherence tomography and simulated using a volume of fluid method. The simulated flow and thread geometries very closely reproduce the experimental results in terms of thread topology and velocity flow fields. By varying the interfacial tension numerically, we show that it controls the thread development, which can be described by an effective capillary number. Furthermore, we demonstrate that the applied methodology provide the means to measure the ultra-low but dynamically highly significant effective interfacial tension.
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| 18. |
- Gowda, V. Krishne, et al.
(författare)
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Effects of fluid properties, flow parameters and geometrical variations on viscous threads in microfluidic channels
-
Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- We report a combined experimental and numerical investigation to decipher and delineate the role of fluid properties, flow parameters, and geometries on the dynamics of viscous thread formation in microchannels with miscible solvents. A methodological analysis based on the evolution of viscous threads unveils the significance of effective interfacial tension (EIT) induced by the virtue of concentration gradients between the non-equilibrium miscible fluid pair colloidal dispersions and their own solvent. Functional scaling relationships developed with dimensionless capillary and Weber numbers, together with thread quantities thread detachment length, and thread width, shed light on the complex interplay of hydrodynamic effects and viscous microflow processes. The detachment of viscous threads inside microchannels is governed by the unified hydrodynamic effects of inertia, capillary, and viscous stresses in contrast to the natural phenomenon of self-lubrication, bringing new insights to the physical phenomena involved in the confined microsystems. Exploiting the experimentally measured thread quantities, the scaling laws are practically applied to estimate the inherent fluid properties such as EIT between two inhomogeneous miscible fluids, and the fluid viscosities. In addition, the cross-sectional aspect ratio of the channels is varied numerically in conjunction with the converging shaped sections. For specified flow rates and given rheologies of the fluids, a flow-focusing configuration producing the shortest thread detachment length, and a longer region of strain rate along the centreline is identified. Overall, this work provides a consolidated description of the effect of fluid properties, flow parameters, and geometry on the formation of miscible viscous threads in microchannel flows.
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| 19. |
- Gowda, V. Krishne
(författare)
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Experimental and numerical investigations of hydrodynamic focusing of colloidal dispersions
- 2023
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- Dispersed non-spherical particles are the fundamental constituent of many complex fluids. Such fluids are studied both for their industrial and scientific importance, and for their peculiar functional properties (mechanical, optical, thermal, fluidic). One exemplar is cellulose nanofibrils (CNF), a biopolymer made of nanoscale particles with remarkable mechanical properties that has been found to be the potential candidate for the fabrication of sustainable and bio-compatible materials. To synthesize and characterise the behaviour of such non-spherical particles in flowing dispersions, microfluidic platforms have emerged as powerful tools. However, the scientific understanding of the fundamental role of the fluid dispersion properties and flow parameters on the microflow dynamics is still inadequate. In this thesis work, a combined numerical and experimental investigation with diverse set of microfluidic flow focusing devices are adopted to measure, analyse, and understand the micro- and macro-scale morphologies of flowing dispersions. A high-viscosity colloidal dispersion liquid made of cellulose nanofibrils suspended in water (the solvent) is hydrodynamically focused with the low-viscosity solvent liquid. A 3D colloidal viscous thread structure is formed, which is characterized using optical coherence tomography (OCT) measurements and computational fluid dynamics (CFD) simulations. The studies show that if the Péclet number is large (diffusion of the particles is slower than the convective time scale of the flow), the concentration gradient between two in-homogeneous miscible fluids (colloidal dispersion and its own solvent) gives rise to Korteweg stresses, emulating the effect of interfacial tension in the form of effective interfacial tension (EIT). In addition, scaling laws describing the complex interplay between viscous, inertial and capillary effects in microchannels have been identified, and are in turn used to estimate the fluid properties.Further, the collective behaviour of nanofibrils in the studied flow fields is investigated. Numerically modelled orientation distribution functions (ODF) are compared with in-situ small angle X-ray scattering (SAXS) measurements. The calibrated SAXS-based digital twin model unveils complete 3D nanoparticle orientation both along the streamwise and cross-sectional planes of the channels. Overall, the key findings of this work open up possibilities in controlling the hydrodynamic assembly of nanoparticles in microchannels.
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| 20. |
- Gowda, V. Krishne, et al.
(författare)
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Formation of colloidal threads in geometrically varying flow-focusing channels
- 2021
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Ingår i: Physical Review Fluids. - : American Physical Society (APS). - 2469-990X. ; 6:11
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Tidskriftsartikel (refereegranskat)abstract
- Threads of colloidal dispersions can be formed in microfluidic channel systems and are often used for analytical purposes or to assemble macroscopic structures from colloidal particles. Here, we report a combined experimental and numerical study of thread formation in channel systems with varying geometry. In the reference flow-focusing configuration, the sheath flows impinge the core flow orthogonally while in four other channel configurations, the sheath flows impinge the core flow at different confluence angles, which are both positive and negative with respect to the reference sheath direction. Tomographic measurements of the thread development are made using optical coherence tomography (OCT) and are compared to numerically simulated 3D data. The numerical simulations performed with an immiscible fluid solver show good agreement with the experiments in terms of 3D thread shapes, wetted region morphologies, and velocity fields provided an ultralow interfacial tension is applied between the low viscosity (solvent) sheath flows and the high viscosity (dispersion) core flow. Such an ultralow interfacial tension is motivated by the so-called Korteweg stresses induced as a result of the concentration gradient between two miscible fluids in nonequilibrium state. These stresses mimic the effect of interfacial tension, and are often modeled as an effective interfacial tension (EIT), an approach chosen in the present work as well. The value of interfacial tension applied in the simulations was determined through an optimization procedure and compares well with a value deduced from a scaling analysis utilizing the downstream development of experimentally determined thread shape. The experimental and numerical results show that for channel configurations with modest deviations from orthogonal sheath flows, the effect on the thread is similar regardless of whether the sheath flows are co- or counterflowing the core flow. In fact, for these cases, the effect of co- and counterflowing sheath flows can be reproduced with orthogonal sheath flows, if the sheath channel width is increased. However, for channel configurations with larger deviations from orthogonal sheath flows, the effects on the thread are direction dependent. The one-to-one comparison and analysis of numerical and experimental results bring useful insights to understand the behavior of miscible systems involving high-viscosity contrast fluids. These key results provide the foundation to tune the flow-focusing for specific applications, for example in tailoring the assembly of nanostruc-tured materials.
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| 21. |
- Gowda, Vasantha, et al.
(författare)
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Structural characterisation of amyloid-like fibrils formed by an amyloidogenic peptide segment of β-lactoglobulin
- 2021
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Ingår i: RSC Advances. - : Royal Society of Chemistry. - 2046-2069. ; 11:45, s. 27868-27879
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Tidskriftsartikel (refereegranskat)abstract
- Protein nanofibrils (PNFs) represent a promising class of biobased nanomaterials for biomedical and materials science applications. In the design of such materials, a fundamental understanding of the structure–function relationship at both molecular and nanoscale levels is essential. Here we report investigations of the nanoscale morphology and molecular arrangement of amyloid-like PNFs of a synthetic peptide fragment consisting of residues 11–20 of the protein β-lactoglobulin (β-LG11–20), an important model system for PNF materials. Nanoscale fibril morphology was analysed by atomic force microscopy (AFM) that indicates the presence of polymorphic self-assembly of protofilaments. However, observation of a single set of 13C and 15N resonances in the solid-state NMR spectra for the β-LG11–20 fibrils suggests that the observed polymorphism originates from the assembly of protofilaments at the nanoscale but not from the molecular structure. The secondary structure and inter-residue proximities in the β-LG11–20 fibrils were probed using NMR experiments of the peptide with 13C- and 15N-labelled amino acid residues at selected positions. We can conclude that the peptides form parallel β-sheets, but the NMR data was inconclusive regarding inter-sheet packing. Molecular dynamics simulations confirm the stability of parallel β-sheets and suggest two preferred modes of packing. Comparison of molecular dynamics models with NMR data and calculated chemical shifts indicates that both packing models are possible.
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| 22. |
- Gowda, Vasantha, et al.
(författare)
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Structural insights into the polymorphism of bismuth(III) di-n-butyldithiocarbamate by X-ray diffraction, solid-state (13C/15N) CP-MAS NMR and DFT calculations
- 2017
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Ingår i: Polyhedron. - : Elsevier. - 0277-5387 .- 1873-3719. ; 129, s. 123-132
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Tidskriftsartikel (refereegranskat)abstract
- Two crystalline polymorphs of a binuclear tris(di-n-butyldithiocarbamato)bismuth(III) complex, I and II, with an empirical formula of [Bi{S2CN(n-C4H9)2}3] were synthesised and characterised by X-ray diffraction (XRD), solid-state NMR and density functional theory (DFT) calculations. At the supramolecular level, these mononuclear molecular units interact in pairs via secondary Bi⋯S bonds, yielding binuclear formations of [Bi2{S2CN(n-C4H9)2}6]. The polymorph I () contains two isomeric non-centrosymmetric binuclear molecules of [Bi2{S2CN(n-C4H9)2}6], which are related to each other as conformers, therefore having four structurally inequivalent bismuth atoms and twelve inequivalent dithiocarbamate ligands. In contrast, the structurally simpler polymorph II (P21/n) exists as a single molecular form of the corresponding centrosymmetric binuclear formation, comprising two structurally equivalent bismuth atoms and three structurally different dithiocarbamate groups. The polymorphs I and II were found to be interconvertible by altering the solvent system during the recrystallisation process. Sun et al. (2012) has reported a crystalline form of the title compound which resembles, but is not identical with, polymorph II. Experimental solid-state 13C and 15N cross-polarisation (CP) magic-angle-spinning (MAS) NMR spectra of both polymorphs I and II were in accord with the direct structural data on these complexes. Assignments of the resonance lines in the solid-state 13C and 15N NMR spectra were assisted by chemical shift calculations of the crystals using periodic DFT.
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| 23. |
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| 24. |
- Menghrajani, Kamal, et al.
(författare)
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Risk classification at diagnosis predicts post-HCT outcomes in intermediate-, adverse-risk, and KMT2A-rearranged AML
- 2022
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Ingår i: Blood Advances. - : American Society of Hematology. - 2473-9529 .- 2473-9537. ; 6:3, s. 828-847
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Tidskriftsartikel (refereegranskat)abstract
- Little is known about whether risk classification at diagnosis predicts post-hematopoietic cell transplantation (HCT) outcomes in patients with acute myeloid leukemia (AML). We evaluated 8709 patients with AML from the CIBMTR database, and after selection and manual curation of the cytogenetics data, 3779 patients in first complete remission were included in the final analysis: 2384 with intermediate-risk, 969 with adverse-risk, and 426 with KMT2A-rearranged disease. An adjusted multivariable analysis detected an increased risk of relapse for patients with KMT2A-rearranged or adverse-risk AML as compared to those with intermediate-risk disease (hazards ratio [HR], 1.27; P = .01; HR, 1.71; P < .001, respectively). Leukemia-free survival was similar for patients with KMT2A rearrangement or adverse risk (HR, 1.26; P = .002, and HR, 1.47; P < .001), as was overall survival (HR, 1.32; P < .001, and HR, 1.45; P < .001). No differences in outcome were detected when patients were stratified by KMT2A fusion partner. This study is the largest conducted to date on post-HCT outcomes in AML, with manually curated cytogenetics used for risk stratification. Our work demonstrates that risk classification at diagnosis remains predictive of post-HCT outcomes in AML. It also highlights the critical need to develop novel treatment strategies for patients with KMT2A-rearranged and adverse-risk disease.
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| 25. |
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| 26. |
- Naghavi, Mohsen, et al.
(författare)
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Global, regional, and national age-sex specific all-cause and cause-specific mortality for 240 causes of death, 1990-2013: a systematic analysis for the Global Burden of Disease Study 2013
- 2015
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Ingår i: The Lancet. - 1474-547X .- 0140-6736. ; 385:9963, s. 117-171
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Tidskriftsartikel (refereegranskat)abstract
- Background Up-to-date evidence on levels and trends for age-sex-specifi c all-cause and cause-specifi c mortality is essential for the formation of global, regional, and national health policies. In the Global Burden of Disease Study 2013 (GBD 2013) we estimated yearly deaths for 188 countries between 1990, and 2013. We used the results to assess whether there is epidemiological convergence across countries. Methods We estimated age-sex-specifi c all-cause mortality using the GBD 2010 methods with some refinements to improve accuracy applied to an updated database of vital registration, survey, and census data. We generally estimated cause of death as in the GBD 2010. Key improvements included the addition of more recent vital registration data for 72 countries, an updated verbal autopsy literature review, two new and detailed data systems for China, and more detail for Mexico, UK, Turkey, and Russia. We improved statistical models for garbage code redistribution. We used six different modelling strategies across the 240 causes; cause of death ensemble modelling (CODEm) was the dominant strategy for causes with sufficient information. Trends for Alzheimer's disease and other dementias were informed by meta-regression of prevalence studies. For pathogen-specifi c causes of diarrhoea and lower respiratory infections we used a counterfactual approach. We computed two measures of convergence (inequality) across countries: the average relative difference across all pairs of countries (Gini coefficient) and the average absolute difference across countries. To summarise broad findings, we used multiple decrement life-tables to decompose probabilities of death from birth to exact age 15 years, from exact age 15 years to exact age 50 years, and from exact age 50 years to exact age 75 years, and life expectancy at birth into major causes. For all quantities reported, we computed 95% uncertainty intervals (UIs). We constrained cause-specific fractions within each age-sex-country-year group to sum to all-cause mortality based on draws from the uncertainty distributions. Findings Global life expectancy for both sexes increased from 65.3 years (UI 65.0-65.6) in 1990, to 71.5 years (UI 71.0-71.9) in 2013, while the number of deaths increased from 47.5 million (UI 46.8-48.2) to 54.9 million (UI 53.6-56.3) over the same interval. Global progress masked variation by age and sex: for children, average absolute diff erences between countries decreased but relative diff erences increased. For women aged 25-39 years and older than 75 years and for men aged 20-49 years and 65 years and older, both absolute and relative diff erences increased. Decomposition of global and regional life expectancy showed the prominent role of reductions in age-standardised death rates for cardiovascular diseases and cancers in high-income regions, and reductions in child deaths from diarrhoea, lower respiratory infections, and neonatal causes in low-income regions. HIV/AIDS reduced life expectancy in southern sub-Saharan Africa. For most communicable causes of death both numbers of deaths and age-standardised death rates fell whereas for most non-communicable causes, demographic shifts have increased numbers of deaths but decreased age-standardised death rates. Global deaths from injury increased by 10.7%, from 4.3 million deaths in 1990 to 4.8 million in 2013; but age-standardised rates declined over the same period by 21%. For some causes of more than 100 000 deaths per year in 2013, age-standardised death rates increased between 1990 and 2013, including HIV/AIDS, pancreatic cancer, atrial fibrillation and flutter, drug use disorders, diabetes, chronic kidney disease, and sickle-cell anaemias. Diarrhoeal diseases, lower respiratory infections, neonatal causes, and malaria are still in the top five causes of death in children younger than 5 years. The most important pathogens are rotavirus for diarrhoea and pneumococcus for lower respiratory infections. Country-specific probabilities of death over three phases of life were substantially varied between and within regions. Interpretation For most countries, the general pattern of reductions in age-sex specifi c mortality has been associated with a progressive shift towards a larger share of the remaining deaths caused by non-communicable disease and injuries. Assessing epidemiological convergence across countries depends on whether an absolute or relative measure of inequality is used. Nevertheless, age-standardised death rates for seven substantial causes are increasing, suggesting the potential for reversals in some countries. Important gaps exist in the empirical data for cause of death estimates for some countries; for example, no national data for India are available for the past decade.
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| 27. |
- Nechyporchuk, Oleksandr, et al.
(författare)
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Continuous Assembly of Cellulose Nanofibrils and Nanocrystals into Strong Macrofibers through Microfluidic Spinning
- 2018
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Ingår i: Advanced Materials Technologies. - : Wiley. - 2365-709X.
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Tidskriftsartikel (refereegranskat)abstract
- Microfluidic fiber spinning is a promising technique for assembling cellulose nanomaterials into macroscopic fibers. However, its implementation requires upscalabe fabrication processes while maintaining high strength of the fibers, which could not be previously achieved. Herein, a continuous wet spinning process based on microfluidic flow focusing is developed to produce strong fibers from cellulose nanofibrils (CNFs) and nanocrystals (CNCs). Fibers with an average breaking tenacity as high as 29.5 cN tex−1 and Young's modulus of 1146 cN tex−1 are reported for the first time, produced from nonhighly purified CNF grades. Using the same developed method, wet spinning of fibers from CNCs is achieved for the first time, reaching an average Young's modulus of 1263 cN tex−1 and a breaking tenacity of 10.6 cN tex−1, thus exhibiting strength twice as high as that of common CNC films. A rather similar stiffness of CNC and CNF spun fibers may originate from similar degrees of alignment, as confirmed by wide-angle X-ray scattering (WAXS) and birefringence measurements, whereas lower strength may primarily arise from the shorter length of CNCs compared to that of CNFs. The benefit of CNCs is their higher solids content in the dopes. By combining both CNCs and CNFs, the fiber properties can be tuned.
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| 28. |
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