| 1. |
- Aad, G, et al.
(författare)
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- 2015
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swepub:Mat__t
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| 2. |
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| 3. |
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| 4. |
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| 5. |
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| 6. |
- Gerkin, RC, et al.
(författare)
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The best COVID-19 predictor is recent smell loss: a cross-sectional study
- 2020
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Ingår i: medRxiv : the preprint server for health sciences. - : Cold Spring Harbor Laboratory.
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- BackgroundCOVID-19 has heterogeneous manifestations, though one of the most common symptoms is a sudden loss of smell (anosmia or hyposmia). We investigated whether olfactory loss is a reliable predictor of COVID-19.MethodsThis preregistered, cross-sectional study used a crowdsourced questionnaire in 23 languages to assess symptoms in individuals self-reporting recent respiratory illness. We quantified changes in chemosensory abilities during the course of the respiratory illness using 0-100 visual analog scales (VAS) for participants reporting a positive (C19+; n=4148) or negative (C19-; n=546) COVID-19 laboratory test outcome. Logistic regression models identified singular and cumulative predictors of COVID-19 status and post-COVID-19 olfactory recovery.ResultsBoth C19+ and C19-groups exhibited smell loss, but it was significantly larger in C19+ participants (mean±SD, C19+: -82.5±27.2 points; C19-: -59.8±37.7). Smell loss during illness was the best predictor of COVID-19 in both single and cumulative feature models (ROC AUC=0.72), with additional features providing negligible model improvement. VAS ratings of smell loss were more predictive than binary chemosensory yes/no-questions or other cardinal symptoms, such as fever or cough. Olfactory recovery within 40 days was reported for ∼50% of participants and was best predicted by time since illness onset.ConclusionsAs smell loss is the best predictor of COVID-19, we developed the ODoR-19 tool, a 0-10 scale to screen for recent olfactory loss. Numeric ratings ≤2 indicate high odds of symptomatic COVID-19 (4<OR<10), which can be deployed when viral lab tests are impractical or unavailable.
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| 7. |
- Williamson, Alice, et al.
(författare)
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Genome-wide association study and functional characterization identifies candidate genes for insulin-stimulated glucose uptake
- 2023
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Ingår i: Nature Genetics. - : Springer Nature. - 1061-4036 .- 1546-1718. ; 55:6, s. 973-983
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Tidskriftsartikel (refereegranskat)abstract
- Distinct tissue-specific mechanisms mediate insulin action in fasting and postprandial states. Previous genetic studies have largely focused on insulin resistance in the fasting state, where hepatic insulin action dominates. Here we studied genetic variants influencing insulin levels measured 2 h after a glucose challenge in >55,000 participants from three ancestry groups. We identified ten new loci (P < 5 × 10-8) not previously associated with postchallenge insulin resistance, eight of which were shown to share their genetic architecture with type 2 diabetes in colocalization analyses. We investigated candidate genes at a subset of associated loci in cultured cells and identified nine candidate genes newly implicated in the expression or trafficking of GLUT4, the key glucose transporter in postprandial glucose uptake in muscle and fat. By focusing on postprandial insulin resistance, we highlighted the mechanisms of action at type 2 diabetes loci that are not adequately captured by studies of fasting glycemic traits.
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| 8. |
- Araujo, C. M., et al.
(författare)
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Electrical resistivity, MNM transition and band-gap narrowing of cubic GaN : Si
- 2002
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Ingår i: Microelectronics Journal. - 0026-2692. ; 33:4, s. 365-369
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Tidskriftsartikel (refereegranskat)abstract
- The electrical resistivity of the Si-donor cubic GaN is investigated theoretically at low temperature. The critical impurity concentration, N-c, for the metal-nonmetal transition is estimated in three different ways: from using the generalized Drude approach (GDA) for the resistivity; from the vanishing of the chemical potential calculated using the dielectric function model with a Lorentz-Lorenz correction; from finding the crossing point between the energy in the insulating and metallic states. The bandgap narrowing (BGN) has been determined theoretically and experimentally above the MNM transition, The experimental data have been obtained with photoluminescence measurements. Theoretical and experimental results are in rough agreement in the range of impurity concentration of interest.
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| 9. |
- Broadaway, K Alaine, et al.
(författare)
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Loci for insulin processing and secretion provide insight into type 2 diabetes risk.
- 2023
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Ingår i: American Journal of Human Genetics. - : Elsevier. - 0002-9297 .- 1537-6605. ; 110:2, s. 284-299
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Tidskriftsartikel (refereegranskat)abstract
- Insulin secretion is critical for glucose homeostasis, and increased levels of the precursor proinsulin relative to insulin indicate pancreatic islet beta-cell stress and insufficient insulin secretory capacity in the setting of insulin resistance. We conducted meta-analyses of genome-wide association results for fasting proinsulin from 16 European-ancestry studies in 45,861 individuals. We found 36 independent signals at 30 loci (p value < 5 × 10-8), which validated 12 previously reported loci for proinsulin and ten additional loci previously identified for another glycemic trait. Half of the alleles associated with higher proinsulin showed higher rather than lower effects on glucose levels, corresponding to different mechanisms. Proinsulin loci included genes that affect prohormone convertases, beta-cell dysfunction, vesicle trafficking, beta-cell transcriptional regulation, and lysosomes/autophagy processes. We colocalized 11 proinsulin signals with islet expression quantitative trait locus (eQTL) data, suggesting candidate genes, including ARSG, WIPI1, SLC7A14, and SIX3. The NKX6-3/ANK1 proinsulin signal colocalized with a T2D signal and an adipose ANK1 eQTL signal but not the islet NKX6-3 eQTL. Signals were enriched for islet enhancers, and we showed a plausible islet regulatory mechanism for the lead signal in the MADD locus. These results show how detailed genetic studies of an intermediate phenotype can elucidate mechanisms that may predispose one to disease.
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| 10. |
- Fernandez, J. R. L., et al.
(författare)
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Electrical resistivity and band-gap shift of Si-doped GaN and metal-nonmetal transition in cubic GaN, InN and AlN systems
- 2001
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Ingår i: Journal of Crystal Growth. - 0022-0248 .- 1873-5002. ; 231:3, s. 420-427
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Tidskriftsartikel (refereegranskat)abstract
- The critical impurity concentration N-c of the metal-nonmetal (MNM) transition for the cubic GaN, InN and AIN systems. is calculated using the following two different criteria: vanishing of the donor binding energy and the crossing point between the energies in the metallic and insulating phases. A dielectric function model with a Lorentz-Lorenz correction is used for the insulating phase. The InN presents an order of magnitude increase in N-c as compared to the other two systems. The electrical resistivity of the Si-donor system GaN is investigated theoretically and experimentally from room temperature down to 10K. It presents a metallic character above a certain high impurity concentration identified as N-c. The samples were grown by plasma assisted molecular beam epitaxy (MBE) on GaAs (0 0 1) substrate. The model calculation is carried out from a recently proposed generalized Drude approach (GDA) presenting a very good estimation for the metallic region. The band-gap shift (BGS) of Si-doped GaN has also been investigated above the MNM transition where this shift is observed. Theoretical and experimental results have a rough agreement in a range of impurity concentration of interest.
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| 11. |
- Tomas, S. A., et al.
(författare)
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Optical properties of rhodamine 6G-doped TiO2 sol-gel films
- 2005
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Ingår i: Journal de Physique IV. - : EDP Sciences. - 1155-4339 .- 1764-7177. ; 125, s. 415-417
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Tidskriftsartikel (refereegranskat)abstract
- The optical properties of titania (TiO2) thin films prepared by the sol-gel process and doped with rhodamine 6G were studied by Photoacoustic Spectroscopy. Rhodamine 6G-doping was achieved by adding 0.01%, 0.02%, 0.05% y 0.1% mol rhodamine to a solution that contained titanium isopropoxide as precursor. Two absorption regions were distinguished in the absorption spectrum of a typical rhodamine 6G-doped TiO2 film. A shift of these bands occured as a function of rhodamine 6G-doping concentration. In addition, the optical absorption and band gap energy for rutile-phase TiO2 films were calculated employing the full-potential linearized augmented plane wave method. A comparison of these calculations with experimental data of TiO2 films prepared by sol-gel at room temperature was performed.
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| 12. |
- Verma, Suresh K., et al.
(författare)
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Determining factors for the nano-biocompatibility of cobalt oxide nanoparticles : proximal discrepancy in intrinsic atomic interactions at differential vicinage
- 2021
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Ingår i: Green Chemistry. - : Royal Society of Chemistry (RSC). - 1463-9262 .- 1463-9270. ; 23:9, s. 3439-3458
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Tidskriftsartikel (refereegranskat)abstract
- The abounding use of cobalt oxide nanoparticles (Co3O4) requires a detailed understanding of their environmental and biomedical nanotoxicity and an eminent solution to the associated hazards; molecular and atomic aspects of the subject are poorly understood. This study reconnoiters thein vitroandin vivonanotoxicity of Co3O4nanoparticles using human colon cell lines and the embryonic zebrafish model. The synthesis of Co3O4nanoparticles (G-CoONP) is delineatedviathe deployment of a medicinal herb,Calotropis gigantea, as an alternative greener solution; stable G-CoONP with a size of 41 ± 15 nm are attainable. Gas chromatography-mass spectroscopy (GCMS) analysis revealed the role of floral extract biomolecules in G-CoO NP synthesis. Thein vitroandin vivoeffects are accompanied by dose-dependent exposure at the molecular level by eliciting Sod1 and P53 genes up to 8.2 and 5.2 fold leading to a significant change in the reactive oxygen species and apoptosis level. It unraveled the toxicity of the cobalt oxide NP as increased apoptosis elicited by higher oxidative stress due to the accumulation and internalization of nanoparticles in cells and embryos. Green synthesized G-CoONP exhibited higher biocompatibility than commercial C-CoONP with reduced apoptosis and ROS in both human colon cell lines and zebrafish embryos.In silicoanalysis portrayed the intrinsic atomic interaction of Co3O4NP with cysteine, arginine, and histidine of oxidative stress (SOD1/sod1) and apoptosis (TP53/tp53) proteins leading to dysregulation of their structural and functional integrity in human and zebrafish, respectively. A proximal discrepancy in intrinsic atomic interaction due to the H-bonding and hydrophobic interaction at the differentialin vitroandin vivovicinage served as a key determinant factor for the cellular biocompatibility of Co3O4nanoparticles.
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| 13. |
- Ahuja, Sat pal, et al.
(författare)
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Physiopathology of retinal degeneration in rd1 mouse model of retinitis pigmentosa : TGF-Β1, proteinases and oxidative stress mechanisms
- 2009
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Ingår i: Retinal Degeneration: Causes, Diagnosis and Treatment. - 9781607410072 ; , s. 1-41
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Bokkapitel (refereegranskat)abstract
- The rd1 (retinal degeneration) mouse retina shows degeneration homologous to a form of retinitis pigmentosa with a rapid loss of rod photoreceptors and deficiency of retinal blood vessels. Due to Pde6brd1 gene mutation, β subunit of phosphodiesterase (PDE) of rd1 retina has an inactive PDE which elevates cGMP and Ca2+ ions level. In vitro retinal explants provide a system close to the in vivo situation, so both approaches were used to compare the status of oxidative stress, transforming growth factor-β1 (TGF-β1), sialylation, galactosylation of proteoglycans, and different proteinases-endogenous inhibitors systems participating in extracellular matrix (ECM) remodeling/degeneration and programmed cell death (PCD)/apoptosis in wt and rd1 mouse retinas. Proteins and desialylated sulfated glucosaminoglycan parts of proteoglycans in ECM of rd1 retina were, respectively, decreased and increased due to enhanced activities of proteinases. Desialylation increases the susceptibility of cells to phoagocytosis/apoptosis, decreased neurogenesis and faulty guidance cues for synaptogenesis. In vivo activities of total proteinases, matrix metalloproteinase-9 (MMP-9) and cathepsin B were increased in rd1 retina on postnatal day 14 (PN14), -21 and -28, due to relatively lower levels of tissue inhibitor of MMPs (TIMP-1) and cystatin C, respectively. This corresponded with increased in vitro secretion of these proteinases by rd1 retina. Cells including end-feet of Mueller cells in degenerating rd1 retina showed intense immunolabeling for MMP-9, MMP-2/TIMP-1, TIMP-2 and cathepsin B/cystatin C, and proteinases pool was increased by Mueller cells. Intense immunolabeling of ganglion cell (RGC) layer for cathepsin B and of inner-plexiform layer of both PN2/PN7 rd1 and wt retinas indicated importance of cathepsin B in synaptogenesis and PCD of RGC. Increased levels of TGF-β1 in vitro transiently increased the secretion of MMPs and cathepsins activities by wt explants which activate TGF-β1 and remodel the ECM for angiogenesis and ontogenetic PCD. Whereas, lower level of TGF-β1 and persistently higher activities of MMPs and cathepsins in rd1 retinas and conditioned medium, suggested that proteinases degraded TGF-β1 and ECM and caused retinal degeneration. Lower activities of glutathione-S-transferase and glutathione-peroxidase in rd1 retina contribute to oxidative stress which damages membranes and increased the expression, release/secretion of proteinases relative to their endogenous inhibitors. Participation of oxidative stress in rd1 retinal degeneration was further confirmed from the partial protection of rd1 photoreceptors by in vitro and/or in vivo supplementation with glutathione-S-transferase or a combination of antioxidants namely lutein, zeaxanthin, α-lipoic acid and reduced-L-glutathione. Treatment with combination(s) of broad spectrum proteinase inhibitor(s) and antioxidants needs investigation.
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| 14. |
- Arslanov, T. R., et al.
(författare)
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Low energy band gap state in compressed needlelike structure of CdSb:Ni
- 2019
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Ingår i: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 115:25
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Tidskriftsartikel (refereegranskat)abstract
- We studied the effect of high pressure on the border of intrinsic conductivity in CdSb doped with 0.5%Ni, the structure of which is needlelike due to spherical extended NiSb inclusions. The bandgap state has been found to be strongly governed by a structural transition in the composite structure. A pressure-induced phase exhibits an activation behavior only upon heating with a very low energy gap by 0.05 eV at 5.32 GPa, while metallic conductivity appears upon subsequent cooling, which is attributed to the instability of the cadmium antimonide structure. Room-temperature Hall effect measurements confirm that the high-pressure phase is not fully metallized, yielding a hole concentration of 4.08 x 10(18) cm(-3) at the onset of structural transition and a reduced magnitude by order in this phase.
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| 15. |
- Baroni, Mpma, et al.
(författare)
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Modeling and gradient pattern analysis of irregular SFM structures of porous silicon
- 2006
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Ingår i: Microelectronics Journal. - : Elsevier BV. - 0026-2692. ; 37:4, s. 290-294
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Tidskriftsartikel (refereegranskat)abstract
- Technological applications in opto-electronic devices have increased the interest in characterizing porous silicon structure patterns. Due to its physical properties, solutions from KPZ 2D are adopted to simulate the structure of porous material interface whose spatial characteristics are equivalent to those found in porous silicon samples. The analysis of the simulated and real scanning Force Microscopy (SFM) surfaces was done using the Gradient Pattern Analysis (GPA). We found that the KPZ 2D model presented asymmetry levels compatible with the irregular surfaces observed by means of SFM images of pi-Si.
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| 16. |
- Beal, Jacob, et al.
(författare)
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Robust estimation of bacterial cell count from optical density
- 2020
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Ingår i: Communications Biology. - : Springer Science and Business Media LLC. - 2399-3642. ; 3:1
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Tidskriftsartikel (refereegranskat)abstract
- Optical density (OD) is widely used to estimate the density of cells in liquid culture, but cannot be compared between instruments without a standardized calibration protocol and is challenging to relate to actual cell count. We address this with an interlaboratory study comparing three simple, low-cost, and highly accessible OD calibration protocols across 244 laboratories, applied to eight strains of constitutive GFP-expressing E. coli. Based on our results, we recommend calibrating OD to estimated cell count using serial dilution of silica microspheres, which produces highly precise calibration (95.5% of residuals <1.2-fold), is easily assessed for quality control, also assesses instrument effective linear range, and can be combined with fluorescence calibration to obtain units of Molecules of Equivalent Fluorescein (MEFL) per cell, allowing direct comparison and data fusion with flow cytometry measurements: in our study, fluorescence per cell measurements showed only a 1.07-fold mean difference between plate reader and flow cytometry data.
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| 17. |
- da Silva, A. F., et al.
(författare)
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Optical properties of in situ doped and undoped titania nanocatalysts and doped titania sol-gel nanofilms
- 2006
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Ingår i: Applied Surface Science. - : Elsevier BV. - 0169-4332 .- 1873-5584. ; 252:15, s. 5365-5367
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Tidskriftsartikel (refereegranskat)abstract
- In this paper we present spectroscopic properties of doped and undoped titanium dioxide (TiO2) as nanofilms prepared by the sol-gel process with rhodamine 6G doping and studied by photoacoustic absorption, excitation and emission spectroscopy. The absorption spectra of TiO2 thin films doped with rhodamine 6G at very low concentration during their preparation show two absorption bands, one at 2.3 eV attributed to molecular dimmer formation, which is responsible for the fluorescence quenching of the sample and the other at 3.0 eV attributed to TiO2 absorption, which subsequently yields a strong en-fission band at 600 nm. The electronic band structure and optical properties of the rutile phase of TiO2 are calculated employing a fully relativistic, full-potential, linearized, augmented plane-wave (FPLAPW) method within the local density approximation (LDA). Comparison of this calculation with experimental data for TiO2 films prepared for undoped sol-gels and by sputtering is performed.
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| 18. |
- Gerkin, Richard C., et al.
(författare)
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Recent Smell Loss Is the Best Predictor of COVID-19 Among Individuals With Recent Respiratory Symptoms
- 2021
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Ingår i: Chemical Senses. - : Oxford University Press (OUP). - 0379-864X .- 1464-3553. ; 46
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Tidskriftsartikel (refereegranskat)abstract
- In a preregistered, cross-sectional study, we investigated whether olfactory loss is a reliable predictor of COVID-19 using a crowdsourced questionnaire in 23 languages to assess symptoms in individuals self-reporting recent respiratory illness. We quantified changes in chemosensory abilities during the course of the respiratory illness using 0–100 visual analog scales (VAS) for participants reporting a positive (C19+; n = 4148) or negative (C19−; n = 546) COVID-19 laboratory test outcome. Logistic regression models identified univariate and multivariate predictors of COVID-19 status and post-COVID-19 olfactory recovery. Both C19+ and C19− groups exhibited smell loss, but it was significantly larger in C19+ participants (mean ± SD, C19+: −82.5 ± 27.2 points; C19−: −59.8 ± 37.7). Smell loss during illness was the best predictor of COVID-19 in both univariate and multivariate models (ROC AUC = 0.72). Additional variables provide negligible model improvement. VAS ratings of smell loss were more predictive than binary chemosensory yes/no-questions or other cardinal symptoms (e.g., fever). Olfactory recovery within 40 days of respiratory symptom onset was reported for ~50% of participants and was best predicted by time since respiratory symptom onset. We find that quantified smell loss is the best predictor of COVID-19 amongst those with symptoms of respiratory illness. To aid clinicians and contact tracers in identifying individuals with a high likelihood of having COVID-19, we propose a novel 0–10 scale to screen for recent olfactory loss, the ODoR-19. We find that numeric ratings ≤2 indicate high odds of symptomatic COVID-19 (4 < OR < 10). Once independently validated, this tool could be deployed when viral lab tests are impractical or unavailable.
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| 19. |
- Manotum, R., et al.
(författare)
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Effect of pressure on the structure stability, electronic structure and band gap engineering in Zn16O1S15
- 2018
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Ingår i: Computational Condensed Matter. - : Elsevier B.V.. - 2352-2143. ; 17
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Tidskriftsartikel (refereegranskat)abstract
- Crystal structures and high pressure structural phase transitions of Zn16O1S15 have been investigated using density functional theory calculation. The two candidate high pressure structures namely Wurtzite and Zincblende were examined for theirs stability and properties up to 20 GPa. The co-exist phase of both structure which occurred during the different film growth conditions was fully explained. Phonon dispersion and the Born criteria reveal that Zincblende is only stable up to 10 GPa. Besides, Wurtzite structure yield no imaginary phonon frequencies and also satisfy the elastic constants sufficiency condition up to 20 GPa which indicated that the co-exist phase would eventually become the single Wurtzite structure above 10 GPa. The electronic structure and PDOS were also fully investigated using HSE06. The multiple band gap energy and mid O-3 state between fundamental ZnS band gap was revealed for the first time. The pressure effect on their electronic structure has been investigated for possible applications in adjustable optoelectronic device.
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| 20. |
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| 21. |
- Monachesi, P, et al.
(författare)
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Reflectance anisotropy spectra of Cu and Ag(110) surfaces from ab initio theory - art. no. 115421
- 2001
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Ingår i: PHYSICAL REVIEW B. - : AMERICAN PHYSICAL SOC. - 0163-1829. ; 6411:11, s. 5421-+ Language: English
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Tidskriftsartikel (refereegranskat)abstract
- Reflectance anisotropy spectra of Cu and Ag (110) surfaces are obtained by ab initio calculations. We disentangle the effects of the intraband and interband parts of the bulk dielectric function in the spectra, splitting them further into components stemm
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| 22. |
- Naqvi, Syeda R., et al.
(författare)
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Superior sensitivity of metal functionalized boron carbide (BC3) monolayer towards carbonaceous pollutants
- 2020
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Ingår i: Applied Surface Science. - : Elsevier. - 0169-4332 .- 1873-5584. ; 512
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Tidskriftsartikel (refereegranskat)abstract
- The sensitivity of light metal functionalized boron carbide (BC3) sheets towards selected carbonaceous gases like CO, CO2, and CH4 is investigated by using first principles density functional theory calculations. We find that functionalization with alkali (Li, Na, K) and alkaline earth metals (Be, Mg, Ca), is a useful strategy to improve the sensitivity of graphene-like BC3 towards the mentioned gases. A semiconductor-to-metal transformation of BC3 is observed upon the introduction of metal dopants. Gas molecules are adsorbed on the metallized BC3 through weak chemisorption, which is an ideal scenario for gas sensing under practical working conditions. We find that the adsorption energies (Eads) of CO molecule are found to be 1.71, 0.48, 0.34, 0.35, 0.96, and 0.84 eV on Be-, Li-, Na-, K-, Mg-, and Ca-doped BC3, respectively. Similarly, CO2 binds to Li-, Be-, Mg-, and Ca- doped BC3 with Eads of 0.54, 0.87, 0.61, and 0.43 eV, respectively. For CH4, an Eads value of 0.74 eV turns out to be the strongest in case of Be-BC3. Bader charge analysis divulges that the transfer of charges results in the adsorption mechanism of the gases to the metallized BC3. In addition to feasible Eads, change in the work function upon the adsorption of gas molecules further confirms good sensitivity of the metallized BC3 towards CO, CO2and CH4. Based on our findings, we deduce that metal-doped BC3 is an excellent candidate for the efficient sensing of harmful pollutants.
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| 23. |
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| 24. |
- Springell, R., et al.
(författare)
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Elemental engineering : Epitaxial uranium thin films
- 2008
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 78:19
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Tidskriftsartikel (refereegranskat)abstract
- Epitaxial films of the well-known alpha (orthorhombic) structure and an unusual hcp form of uranium have been grown on Nb and Gd buffers, respectively, by sputtering techniques. In a 5000 A film of alpha-U a charge-density wave has been observed, and its properties are different from those found in the bulk. The 500 A hcp-U film has a c/a ratio of 1.90(1), which is unusually large for the hcp structure. Theoretical calculations show that this hcp form is metastable and predict that it orders magnetically.
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| 25. |
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| 26. |
- Umrao, S., et al.
(författare)
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Anticarcinogenic activity of blue fluorescent hexagonal boron nitride quantum dots : as an effective enhancer for DNA cleavage activity of anticancer drug doxorubicin
- 2019
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Ingår i: MATERIALS TODAY BIO. - : ELSEVIER. - 2590-0064. ; 1
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Tidskriftsartikel (refereegranskat)abstract
- Blue fluorescent hexagonal boron nitride quantum dots (h-BNQDs) of similar to 10 nm size as an effective enhancer for DNA cleavage activity of anticancer drug doxorubicin (DOX) were synthesized using simple one-step hydrothermal disintegration of exfoliated hexagonal boron nitride at very low temperature similar to 120 degrees C. Boron nitride quantum dots ( BNQDs) at a concentration of 25 mu g/ml enhanced DNA cleavage activity of DOX up to 70% as checked by converting supercoiled fragment into nicked circular PBR322 DNA. The interaction of BNQDs with DOX is proportional to the concentration of BNQDs, with binding constant K-b similar to 0.07338 mu g/ml. In addition, ab initio theoretical results indicate that DOX is absorbed on BNQDs at the N-terminated edge with binding energy -1.075 eV and prevented the normal replication mechanisms in DNA. BNQDs have been shown to kill the breast cancer cell MCF-7 extensively as compared with the normal human keratinocyte cell HaCaT. The cytotoxicity of BNQDs may be correlated with reduced reactive oxygen species level and increased apoptosis in MCF-7 cells, which may be liable to enhance the anticancerous activity of DOX. The results provide a base to develop BNQD-DOX as a more effective anticancer drug.
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| 27. |
- Verma, Suresh K., et al.
(författare)
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Altered electrochemical properties of iron oxide nanoparticles by carbon enhance molecular biocompatibility through discrepant atomic interaction
- 2021
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Ingår i: MATERIALS TODAY BIO. - : Elsevier. - 2590-0064. ; 12
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Tidskriftsartikel (refereegranskat)abstract
- Recent advancement in nanotechnology seeks exploration of new techniques for improvement in the molecular, chemical, and biological properties of nanoparticles. In this study, carbon modification of octahedral-shaped magnetic nanoparticles (MNPs) was done using two-step chemical processes with sucrose as a carbon source for improvement in their electrochemical application and higher molecular biocompatibility. X-ray diffraction analysis and electron microscopy confirmed the alteration in single-phase octahedral morphology and carbon attachment in Fe3O4 structure. The magnetization saturation and BET surface area for Fe3O4, Fe3O4/C, and alpha-Fe2O3/C were measured as 90, 86, and 27 emu/g and 16, 56, and 89 m2/g with an average pore size less than 7 nm. Cyclic voltammogram and galvanostatic charge/discharge studies showed the highest specific capacitance of carbon-modified Fe3O4 and alpha-Fe2O3 as 213 F/g and 192 F/g. The in vivo biological effect of altered physicochemical properties of Fe3O4 and alpha-Fe2O3 was assessed at the cellular and molecular level with embryonic zebrafish. Mechanistic in vivo toxicity analysis showed a reduction in oxidative stress in carbon-modified alpha-Fe2O3 exposed zebrafish embryos compared to Fe3O4 due to despaired infiuential atomic interaction with sod1 protein along with significant less morphological abnormalities and apoptosis. The study provided insight into improving the characteristic of MNPs for electrochemical application and higher biological biocompatibility.
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| 28. |
- Abdel-Hafiez, Mahmoud, et al.
(författare)
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Pressure-induced reentrant transition in NbS3 phases : Combined Raman scattering and x-ray diffraction study
- 2019
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Ingår i: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 99:23
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Tidskriftsartikel (refereegranskat)abstract
- We report the evolution of charge density wave states under pressure for two NbS3 phases: triclinic (phase I) and monoclinic (phase II) at room temperature. Raman and x-ray diffraction (XRD) techniques are applied. The x-ray studies on the monoclinic phase under pressure show a compression of the lattice at different rates below and above similar to 7 GPa but without a change in space group symmetry. The Raman spectra of the two phases evolve similarly with pressure; all peaks almost disappear in the similar to 6-8 GPa range, indicating a transition from an insulating to a metallic state, and peaks at new positions appear above 8 GPa. The results suggest suppression of the ambient charge-density waves and their subsequent recovery with new orderings above 8 GPa.
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| 29. |
- Ahuja, R, et al.
(författare)
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A theoretical study of the pressure-induced structural phase transition in CdTe
- 1997
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Ingår i: PHYSICA STATUS SOLIDI B-BASIC RESEARCH. - : AKADEMIE VERLAG GMBH. - 0370-1972. ; 199:1, s. 75-79
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- We have performed first-principles, full-potential linear muffin-tin-orbital (FPLMTO) calculations to study the structural phase transition in CdTe under pressure. By calculating the total energies of different phases we have shown that CdTe shows the fol
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| 30. |
- AHUJA, R, et al.
(författare)
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ANISOTROPIC DIELECTRIC RESPONSE OF FERROMAGNETIC COBALT
- 1995
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Ingår i: JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS. - : ELSEVIER SCIENCE BV. - 0304-8853. ; 140, s. 89-90
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- A self-consistent electronic structure for hexagonal close-packed ferromagnetic cobalt is obtained through the linear muffin tin orbital (LMTO) method. Using the derived band scheme, the frequency (omega) dependent dielectric function for the electric fie
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| 31. |
- Ahuja, R, et al.
(författare)
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Calculated electronic and optical properties of a graphite intercalation compound: LiC6
- 1997
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Ingår i: JOURNAL OF PHYSICS-CONDENSED MATTER. - : IOP PUBLISHING LTD. - 0953-8984. ; 9:45, s. 9845-9852
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- We have used the linear muffin-tin orbital method, without geometrical approximations, to calculate the electronic structure of LiC6. Using our self-consistent solution, we have calculated the anisotropic frequency-dependent dielectric function and the re
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| 32. |
- Ahuja, R, et al.
(författare)
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Calculated optical properties of a solar energy material: CuGaS2
- 1998
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Ingår i: SOLAR ENERGY MATERIALS AND SOLAR CELLS. - : ELSEVIER SCIENCE BV. - 0927-0248. ; 53:3-4, s. 357-366
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- The full-potential linear muffin-tin orbital method is used to study the electronic structure of the solar energy material CuGaS2. From this the optical reflectivity is calculated and compared with experiment, both for the case when the polarization vecto
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| 33. |
- Ahuja, R, et al.
(författare)
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Elastic and high pressure properties of ZnO
- 1998
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Ingår i: JOURNAL OF APPLIED PHYSICS. - : AMER INST PHYSICS. - 0021-8979. ; 83:12, s. 8065-8067
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- We have studied the elastic and structural properties of ZnO by means of accurate first-principles total energy calculations using the full potential linear muffin tin orbital method. The calculations are based on the density functional theory and we have
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| 34. |
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| 35. |
- Ahuja, R, et al.
(författare)
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Electronic and optical properties of BaTiO3 and SrTiO3
- 2001
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Ingår i: JOURNAL OF APPLIED PHYSICS. - : AMER INST PHYSICS. - 0021-8979. ; 90:4, s. 1854-1859
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Tidskriftsartikel (refereegranskat)abstract
- We have used the linear muffin-tin-orbital method, without geometrical approximations, to calculate the electronic structure of tetragonal BaTiO3 and cubic SrTiO3. Using our self-consistent potential, we have calculated the frequency-dependent dielectric
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| 36. |
- Ahuja, R, et al.
(författare)
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Electronic and optical properties of FeS2 and CoS2
- 1998
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Ingår i: PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES. - : TAYLOR & FRANCIS LTD. - 0141-8637. ; 78:5-6, s. 475-480
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- We have used the linear muffin-tin orbital method, without geometrical constraints on the electron density or potential, to calculate the electronic structure of FeS2 and CoS2. From the self-consistent potential we have computed the energy bands and the f
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| 37. |
- Ahuja, R, et al.
(författare)
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Electronic and optical properties of InP
- 1997
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Ingår i: SOLID STATE COMMUNICATIONS. - : PERGAMON-ELSEVIER SCIENCE LTD. - 0038-1098. ; 104:5, s. 249-252
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- We have calculated the band structure and dielectric function of InP by means of an accurate first-principles method using the full potential linear muffin-tin orbital method (FPLMTO). Our calculated dielectric functions is compared with the recent data o
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| 38. |
- Ahuja, R, et al.
(författare)
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Electronic and optical properties of red HgI2
- 1996
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Ingår i: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 54:15, s. 10419-10424
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Within the local-density approximation we have used the linear muffin-tin orbital method, without geometrical approximations, to calculate the electronic structure of red HgI2. Using the self-consistent potential we have calculated the energy bands and fr
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| 39. |
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| 40. |
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| 41. |
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| 42. |
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| 43. |
- Ahuja, R., et al.
(författare)
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Electronic structure of Ti3SiC2
- 2000
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Ingår i: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 76:16, s. 2226-2228
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Tidskriftsartikel (refereegranskat)
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| 44. |
- Ahuja, R, et al.
(författare)
-
Electronic structure of Ti3SiC2
- 2000
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Ingår i: APPLIED PHYSICS LETTERS. - : AMER INST PHYSICS. - 0003-6951. ; 76:16, s. 2226-2228
-
Tidskriftsartikel (refereegranskat)abstract
- We have investigated the electronic structure of Ti3SiC2 by means of first-principles self-consistent total-energy calculations within the local-density approximation using the full-potential linear-muffin-tin-orbital method. Our calculated volume is in g
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| 45. |
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| 46. |
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| 47. |
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| 48. |
- Ahuja, R, et al.
(författare)
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High-pressure structural phase transitions in RuO2 and its geophysical implications
- 2001
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Ingår i: JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS. - : PERGAMON-ELSEVIER SCIENCE LTD. - 0022-3697. ; 62:11, s. 2035-2037
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Tidskriftsartikel (refereegranskat)abstract
- We studied the high-pressure behaviour of RuO2 and compared with that of its analogue SiO2. The high-pressure stability of Pa (3) over bar phase as compared to fluorite (CaF2) phase has been supported through our calculations, which is in full agreement w
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| 49. |
- Ahuja, R
(författare)
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High pressure studies of sodium and silver halides
- 2000
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Ingår i: HIGH PRESSURE RESEARCH. - : GORDON BREACH SCI PUBL LTD. - 0895-7959. ; 18:1-6, s. 131-138
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Tidskriftsartikel (refereegranskat)abstract
- We have investigated the structural phase transitions in sodium and silver halides theoretically under high compressions by means of first-principles self-consistent total-energy calculations within the local-density approximation using the full-potential
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| 50. |
- Ahuja, R, et al.
(författare)
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Melting and liquid structure of aluminum oxide using a molecular-dynamics simulation
- 1998
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Ingår i: PHYSICAL REVIEW E. - : AMERICAN PHYSICAL SOC. - 1063-651X. ; 57:2, s. 1673-1676
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- The radial distribution function G(r) for liquid aluminum oxide (corundum) is calculated by means of the two-phase molecular-dynamics method utilizing a previously developed pairwise interatomic potential. Our results agree very well with the recent exper
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