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排序方式: 共有129条查询结果,搜索用时 46 毫秒
121.
Hafiza Saba Samreen Ajaz Hussain Muhammad Yar Mohammed Battah Alshammari Khurshid Ayub Muhammad Adeel Muhammad Tariq Mehreen Lateef Mohammed Afroz Bakht Faiz Rasool 《Journal of biochemical and molecular toxicology》2023,37(10):e23433
In this work, four fluorinated α, β-unsaturated ketones named as 3-(3-bromophenyl)−1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (1), 3-(4-methoxyphenyl)−1-(3-(trifluoromethyl)phenyl) prop-2-en-1-one (2), 3-(3-bromo-5-chloro-2-hydroxyphenyl)-1-(3-(trifluoromethyl)phenyl) prop-2-en-1-one (3) and 3-(2-hydroxy-5-methylphenyl)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (4) were synthesized by Claisen–Schmidt reaction. The synthesized molecules were then characterized through ultraviolet-visible spectroscopy (UV-Vis), Fourier transform infrared (FTIR), 1H-NMR, 13C-NMR, and mass spectrometry. The antioxidant potential, Urease inhibition, and interaction of compounds 1 – 4 with Salmon sperm DNA were experimentally explored and supported by molecular docking studies. The synthesized compounds strongly interact with SS-DNA through intercalative mode. It was noticed that compound 1 served as potent Urease inhibitor while compound 4 as better antioxidant among synthesized compounds. Moreover, frontier molecular orbitals, nonlinear optical (NLO) properties, natural bond orbitals, molecular electrostatic potential, natural population analysis, and photophysical properties of synthesized compounds were accomplished through density functional theory and time-dependent density functional theory. The band gap of all the compounds have been worked out using Taucs method. In addition to that, a precise comparative account of UV and IR data obtained from theoretical and experimental findings showed good agreement between theoretical and experimental data. The findings of our studies reflected that compounds 1 – 4 possess better NLO properties than Urea standard and the band gap data also reflected their prospective use towards optoelectronic materials. The better NLO behavior of compounds was attributed to the noncentrosymmetric structure of synthesized compounds. 相似文献
122.
Shabbir Muhammad Santosh Kumar Munusamy Saravanabhavan Khurshid Ayub Mukesh Chaudhary 《Molecular simulation》2018,44(15):1191-1199
In the present investigation, we employ a dual approach consisting of experimental and computational techniques to synthesise and characterise the Schiff-base including the moieties of nitrophenyl (3), nitrothiazole (5) and nitrobenzothiazole (7). The synthesised Schiff bases are confirmed by FT-IR, 1H-NMR and UV-visible spectroscopic techniques. The experimental UV-visible spectroscopic results are compared to the theoretically calculated TD-DFT results. There is a reasonably good agreement between the experimental and the theoretically calculated spectroscopic results. We also calculate the third-order nonlinear optical (NLO) polarizability (γ) of above entitled derivatives using finite field (FF) approach and DFT methods. The compound 7 shows an amplitude of γ as large as 124.15×104 a. u., which is found to be several times larger than that of para-nitroaniline. Moreover, the partial and total density of states (PDOS and TDOS) along with electrostatic potential maps are calculated to get more physical insights into the structure-property relationship and electronic communications between terminal donor and central core acceptor moieties in the synthesised compounds. The present investigation highlights the significance of indigenously synthesised nitrothiazole and nitrobenzothiazole compounds as efficient NLO materials, which may evoke the interest of scientific community in such efficient NLO materials for their potential utilization in device applications. 相似文献
123.
Billah Md Masum Bhuiyan Md Khurshid Alam Amran Md Iqram Uddin Al Cabral Ana Caroline Garcia Marina Reback D. 《Reviews in Environmental Science and Biotechnology》2022,21(3):747-770
Reviews in Environmental Science and Bio/Technology - Although coastal ecosystems such as mangroves have substantial productive and protective rules, this ecosystem is threatened due to inorganic... 相似文献
124.
Gulam Rabbani Saeyoung Nate Ahn Hyunhwa Kwon Khurshid Ahmad Inho Choi 《Biochemistry and Biophysics Reports》2021
SARS-CoV-2 has become a big challenge for the scientific community worldwide. SARS-CoV-2 enters into the host cell by the spike protein binding with an ACE2 receptor present on the host cell. Developing safe and effective inhibitor appears an urgent need to interrupt the binding of SARS-CoV-2 spike protein with ACE2 receptor in order to reduce the SARS-CoV-2 infection. We have examined the penta-peptide ATN-161 as potential inhibitor of ACE2 and SARS-CoV-2 spike protein binding, where ATN-161 has been commercially approved for the safety and possess high affinity and specificity towards the receptor binding domain (RBD) of S1 subunit in SARS-CoV-2 spike protein. We carried out experiments and confirmed these phenomena that the virus bindings were indeed minimized. ATN-161 peptide can be used as an inhibitor of protein-protein interaction (PPI) stands as a crucial interaction in biological systems. The molecular docking finding suggests that the binding energy of the ACE2-spike protein complex is reduced in the presence of ATN-161. Protein-protein docking binding energy (-40.50 kcal/mol) of the spike glycoprotein toward the human ACE2 and binding of ATN-161 at their binding interface reduced the biding energy (-26.25 kcal/mol). The finding of this study suggests that ATN-161 peptide can mask the RBD of the spike protein and be considered as a neutralizing candidate by binding with the ACE2 receptor. Peptide-based masking of spike S1 protein (RBD) and its neutralization is a highly promising strategy to prevent virus penetration into the host cell. Thus masking of the RBD leads to the loss of receptor recognition property which can reduce the chance of infection host cells. 相似文献
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In recent years, much effort has been concentrated on the use of Β-emitting radionuclides for the treatment of various cancers.
The reports suggested the application of186Re and153Sm as radiotherapeutic radionuclides for the treatment of palliative widespread skeletal métastases, whereas166Ho was suggested as an agent for radiation synovectomy. Hence, a study on the production of186Re,153Sm, and166Ho radionuclides was carried out by neutron activation of the appropriate target materials using a Pakistan Atomic Research
Reactor (PARR-1) at a neutrons flux of 1 x 104 n/cm2 s. These radionuclides were then converted to appropriate radiopharmaceuticals for their use on animals and patients.
The targets of natural Re (metal), natural Sm2O3, enriched Sm2O3 (99.06%), Sm(NO3)3 (solid), Sm(NO3)3 (liquid), and Ho2O3 were irradiated in the PARR-1. After irradiation, the purity of these radionuclides were checked by a multichannel analyzer,
Canberra series 85 (MCA) coupled with HPGe detector and then measured in radioisotope calibrator Capintec ionization chamber
model CRC-5RH. The effect of the irradiation time and amount of target material was investigated on the production yields
of the radionuclides. The results showed an increase in the specific activity of Re with an increase in the irradiation time
from 1 to 72 h, whereas a decrease in the specific activity was observed with increase in the amount of Re from 10 to 100
mg. Similar results were obtained for153Sm and166Ho radionuclides. The results further indicated that the specific activity of powder target was much less than the liquid
targets for153Sm. Their conversion to the appropriate radiotherapeutic radiopharmaceuticals were also carried out by investigating the experimental
conditions and acceptable quality of186Re-HEDP and153Sm-EDTMP complexes were prepared. These complexes were then used on animals and patients which showed good performance. 相似文献
127.
Cotton Leaf Curl Multan Betasatellite as a Tool to Study the Localization of Geminiviruses in Plants
Molecular Biology - Cotton leaf curl Multan betasatellite (CLCuMB) is a ubiquitous betasatellite commonly found along with cotton leaf curl disease (CLCuD) associated begomoviruses in the Old... 相似文献
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