| 1. |
- Chiesa, Giacomo, et al.
(författare)
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Remove sensible heat from indoor environments
- 2023
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Ingår i: International Energy Agency - Resilient Cooling of Buildings - State of the Art Review. - Vienna : Institute of Building Research & Innovation. ; , s. 130-189
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Bokkapitel (övrigt vetenskapligt/konstnärligt)abstract
- The world is facing a rapid increase of air conditioning of buildings. It is the motivation of Annex 80 to develop, assess and communicate solutions of resilient cooling and overheating protection. Resilient Cooling is used to denote low energy and low carbon cooling solutions that strengthen the ability of individuals and our community to withstand, and prevent, thermal and other impacts of changes in global and local climates. It encompasses the assessment and Research & Development of both active and passive cooling technologies of the following four groups:Reduce heat loads to people and indoor environments.Remove sensible heat from indoor environments.Enhance personal comfort apart from space cooling.Remove latent heat from indoor environments.The present review sums up the state of the art in cooling solutions which may be regarded as resilient. Its main objective is to systematically describe the available cooling solutions, their physical basis, their benefits and limitations, their technology readiness level, their practical availability, and applicability. Doing so, the State-of-the-Art Review forms the basis for the work of Annex 80.
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| 2. |
- Idrees, M., et al.
(författare)
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Forecasting the critical role of intermittent therapies for the control of bone resorption
- 2019
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Ingår i: Clinical Biomechanics. - : Elsevier BV. - 0268-0033 .- 1879-1271. ; 68, s. 128-136
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Tidskriftsartikel (refereegranskat)abstract
- Background: Osteoporosis is a chronic metabolic disease characterized by an imbalance of bone resorption and formation, leading to bone fragility and increased susceptibility to fracture. Parathyroid hormone is approved therapy for the treatment of osteoporosis.Methods: The intermittent therapy of parathyroid hormone requires accurate administration. Meta-analysis is conducted to draw a clear picture of the impact of intermittent therapy and dose rates relative to time, on the osteoporotic patients. A novel mathematical model is presented in this article synchronised with the parametric values, depicted from meta-analysis.Findings: Results obtained from the mathematical model are in close agreement with the results obtained from the clinical trials. The model can be used to forecast the drug potency and dosage rates, to control the vicious cycle of osteoporosis.Interpretations: The intermittent administration of parathyroid hormone, rather than the continuous administration, is more effective, furthermore it is also concluded that a mathematical model, linked with the extensive literature of clinical trials, using meta-analysis can help in drug administration and future clinical studies of drug development.
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| 3. |
- Iftikhar, Mehwish, et al.
(författare)
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AI- modelling of molecular identification and feminization of wolbachia infected Aedes aegypti
- 2020
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Ingår i: Progress in Biophysics and Molecular Biology. - : Elsevier BV. - 0079-6107 .- 1873-1732. ; 150, s. 104-111
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Forskningsöversikt (refereegranskat)abstract
- Background: The genetic control strategies of vector borne diseases includes the replacement of a vector population by disease-refractory mosquitoes and the release of mosquitoes with a gene to control the vector's reproduction rates. Wolbachia are common intracellular bacteria that are found in arthropods and nematodes. Wolbachia infected male mosquitos have been used in different experimental trials around the world to suppress the target population of Aedes aegypti and this genetic control strategy has proved to be a promising alternative to other treatment strategies. Due to certain limitations, the successful application of this strategy is still awaited. Methods: Mathematical frame work for Wolbachia induced genetic control strategy has been developed in this article. With the aid of Artificial Intelligence (Al) tools, accurate parametric values are depicted. For the first time, the model is well synchronized with the experimental findings. The model is comprised of the generalized varying coefficient and multiple mating rates between infected and uninfected compartments of Aedes aegypti dengue to forecast the disease control. Results: Two mathematical models are developed in this article to demonstrate different mating rates of the genetic control strategy. The important parameters and time varying coefficients are well demonstrated with the aid of numerical computations. The resulting thresholds and forecasting may prove to be a useful tool for future experimental studies. Conclusions: From our analysis, we have concluded that the genetic control strategy is a promising technique and the role of Wolbachia infected male mosquitos, in genetic control strategies, can be better interpreted in an inexpensive manner with the aid of a theoretical model.
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| 4. |
- Irfan, Muhammad, et al.
(författare)
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Design of donor-acceptor-donor (D-A-D) type small molecule donor materials with efficient photovoltaic parameters
- 2017
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Ingår i: International Journal of Quantum Chemistry. - : WILEY. - 0020-7608 .- 1097-461X. ; 117:10
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Tidskriftsartikel (refereegranskat)abstract
- Four Donor-Acceptor-Donor (D-A-D) type of donor molecules (M1-M4) with triphenylamine (TPA) as donor moiety, thiophene as bridge, and thiazolothiazole as acceptor unit were designed and its photovoltaic parameters were equated with reference molecule R. DFT functional CAM-B3LYP/6-31G (d,p) was found best for geometry optimization and TD-CAM-B3LYP/6-31G (d,p) was found suitable for excited state calculations. Among designed donor molecules, M4 manifests suitable lowest band gap of 4.73 eV, frontier molecular orbital energy levels as well as distinctive broad absorption of 455.3 nm due to the stronger electron withdrawing group. The electron-withdrawing substituents contribute to red shifts of absorption spectra and better stabilities for designed molecules. The theoretically determined reorganization energies of designed donor molecules suggested excellent charge mobility property. The lower (e) values in comparison with (h) illustrated that these four donor materials would be ideal for electron transfer and M4 would be best amongst the investigated molecules with lowest (e) of 0.0177. Furthermore, the calculated Voc of M4 is 2.04 V with respect to PC60BM (phenyl-C61-butyric acid methyl ester). This study revealed that the designed donor materials are suitable and recommended for high performance organic solar cell devices.
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| 5. |
- Jabeen, Sobia, et al.
(författare)
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Tuning Optoelectronic Properties of Dithienopyrrole Donor Molecules for Organic Solar Cells
- 2019
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Ingår i: Russian Journal of Physical Chemistry. - : Maik Nauka/Interperiodica. - 0036-0244 .- 1531-863X. ; 93:11, s. 2233-2243
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Tidskriftsartikel (refereegranskat)abstract
- Theoretical analysis of physical properties of organic solar cells (OSCs) are important in order to reveal the correlation between power conversion efficiencies (PCE), structure and properties. Five new A-D-A type small molecules M-1, M-2, M-3, M-4, and M-5 were designed by using dithienopyrrole (DTP) as electron rich donor unit with different types of pi-spacers and end capped acceptor units. Functional MPW1PW91/6-31G(d,p) level of theory was used to optimize the geometry of all molecules. For excited state calculation TD-MPW1PW91/6-31G(d,p) level of theory was used. The geometries, electronic structures, dipole moment, open circuit voltage, reorganization energies and charge transport properties of designed molecules M-5) have been scrutinized comparing with the reported compound R. The results revealed that the HOMO energy levels of molecules M-1, M-2, M-3, and M-5 were lower while M-4 was of high energy level thus facilitate the donation of electron as compared to references molecule R. While LUMO energy level of all the molecules were slightly high energy due electron withdrawing effects of spacer and acceptor moiety. Highest energy gap of HOMO-LUMO was observed in M-1 which was 2.48 eV and M-3 showed low energy gap (2.11 eV) as compared to other designed molecules. All molecules showed low values for lambda(e), so they have high rate of electron transfer as compared to R. All designed molecules exhibited higher value of dipole moment as compared to reference molecule R except M-1. Higher value of dipole moment of donor molecules contrary to reference means good solubility towards organic solvents which is beneficial for further solar cell device fabrication. All designed molecules show higher V-oc values except M-4 which has comparable V-oc with respect to reference molecule R. In short, choice of appropriate electron withdrawing and donating groups is very important for improving power conversion efficiencies of OSCs.
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| 6. |
- Javed, Sana, et al.
(författare)
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Analytic approach to explore dynamical osteoporotic bone turnover
- 2019
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Ingår i: Advances in Difference Equations. - : Springer Science and Business Media LLC. - 1687-1839 .- 1687-1847.
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Tidskriftsartikel (refereegranskat)abstract
- The dynamics of the osteoporotic bone turnover is studied in this paper with the aid of stability analysis of the associated mathematical model. Osteoporosis, which is a common bone disorder, is studied in this papper in detail with an emphasis on the relative threshold values. We examine the expository signaling among the bone cells named osteoclast and osteoblast. Main functioning of osteoblasts is bone formation, whereas osteoclasts are bone removal cells. Mathematical framework for osteoporotic bone turnover comprising of the communication between osteoclasts and osteoblasts has been presented to exhibit the conditions for stability in bone turnover. The percentage ratios of the population of osteoblasts/osteoclasts have been determined via numerical simulations. The remedial upshots of targeting osteoporotic cells participating in such process are examined. From our analysis we have conclude that the role of external agents in treating the diseased bone can be better interpreted with the aid of a theoretical model.
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| 7. |
- Javed, Sana, et al.
(författare)
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Biophysics and the nonlinear dynamics instigated by a special hormone
- 2020
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Ingår i: Progress in Biophysics and Molecular Biology. - : Elsevier BV. - 0079-6107 .- 1873-1732. ; 150, s. 62-66
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Forskningsöversikt (refereegranskat)abstract
- Calcitonin, a potent hypocalcemic hormone, plays a vital role in inhibiting osteoclastic activities and suppressing bone removal. The physiological characteristics of calcitonin have long been discussed, along a few recommending calcitonin as a vestigial hormone. The basis for this article is to discuss the role of low and high levels of calcitonin in normal and osteoprotic bone turnover. The effect of calcitonin on the receptor activator of nuclear factor kappa-ligand and osteoclasts has been demonstrated using numerical simulations. This behavior recommends that treatment of osteoporosis via calcitonin does not provide the required upshots. For effectiveness calcitonin must be advised along with a combined therapy like aspirin which agrees with the experimental results available in the literature.
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| 8. |
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| 9. |
- Zara, Zeenat, et al.
(författare)
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Designing Benzodithiophene-Based Donor Materials with Favorable Photovoltaic Parameters for Bulk Heterojunction Organic Solar Cells
- 2017
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Ingår i: CHEMISTRYSELECT. - : WILEY-V C H VERLAG GMBH. - 2365-6549. ; 2:20, s. 5628-5639
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Tidskriftsartikel (refereegranskat)abstract
- Computational study on four Acceptor-Donor-Acceptor (A-D-A) type of donor molecules namely, dimethyl cyanoacetate terthiophene di(methylthiophene) benzo[1,2-b: 4,5-b'] dithiophene (DMCATDMTBDT) (M1), methylrhodanine terthiophene di (methylthiophene) benzo[1,2-b: 4,5-b'] dithiophene (MRTDMTBDT) (M2), dimethyl cyanoacetate terthiophene di (fluoromethyl thiophene) benzo[1,2-b: 4,5-b'] dithiophene (DMCATDFMTBDT) (M3), and methylrhodanine terthiophene di (fluoromethyl thiophene) benzo[1,2-b: 4,5-b'] dithiophene (MRTDFMTBDT) (M4) was carried out and their photovoltaic properties were associated with methyl cyanoacetate terthiophene di (methoxy) benzo[1,2-b: 4,5-b'] dithiophene (DCAO3TBDT) (R1) and methylrhodanine terthiophene di (methoxy) benzo[1,2-b: 4,5-b'] dithiophene (DR3TBDT) (R2). For the geometry optimization DFT functional CAM B3LYP/6-31G(d) was found to be the best choice, hence TD-CAM B3LYP/631G(d) was opted for the calculation of excited state of the molecules. M3 and M4 represented appropriate frontier molecular orbital energy levels and broad absorption band. The reorganization energies of the designed molecules illustrated excellent charge mobility property. The lower le values as compared to lambda(i) illustrate that the designed donor molecules are better electron donors. M4 was found as champion molecules with the lowest le (0.01601) value. The Voc value of M3 and M4 are 2.74 eV and 2.63 eV respectively with respect to the energy levels of PC60BM (acceptor).
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| 10. |
- Zara, Zeenat, et al.
(författare)
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Designing dibenzosilole and methyl carbazole based donor materials with favourable photovoltaic parameters for bulk heterojunction organic solar cells
- 2018
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Ingår i: Computational and Theoretical Chemistry. - : Elsevier. - 2210-271X .- 2210-2728. ; 1142, s. 45-56
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Tidskriftsartikel (refereegranskat)abstract
- Five new Acceptor-Donor-Acceptor (A-D-A) type small donor molecules (M1-M5) namely; Dimethyl cyanoacetate terthiophene di(methylthiophene) dibenzosilole (DMCAO3TBS) (M1), Dimelononitrile terthiophene di(methylthiophene) dibenzosilole (DMCNTBS) (M2), Dimethyl rhodanine terthiophene di(methylthiophene) dibenzosilole (DMRTBS) (M3), Dimelanonitrile terthiophene di(methylthiophene) methyl carbazole (DMCNTCz) (M4) and Dimethyl rhodanine terthiophene di(methylthiophene) methyl carbazole (DMRTCz) (M5) were designed and theoretically explored their electronic, photophysical and geometrical properties via DFT best functional MPW1PW91/6-311G (d,p) with respect to reference molecules Dioctyl cyanoacetate terthiophene di(octylthiophene) dioctylfluorene (DCAO3TF) (Ra) and Dioctyl cyanoacetate terthiophene di(octylthiophene) octylcarbazole (DCAO3TCz) (Rb). Among the designed donor molecules (M1-M5), M2 and M4 represented lowest band gap value (2.480 eV and 2.47 eV) with distinctive broad absorption peak at 598 nm and 601 nm in chloroform. Theoretically estimated reorganization energies of these molecules recommended excellent property of charge mobility. The designed donor molecules (M1-M5), demonstrated lower λe value with reference to their λh, showing that these molecules could be ideal candidates for the transfer of electron while M2 and M4 were found to be best molecules having lowest λe (0.006 eV and 0.005 eV respectively). Additionally the Voc of M2 and M4 are 2.01 eV and 1.85 eV respectively with respect to PCBM.
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