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81.
Shujaat Ahmad Manzoor Ahmad Mazen Almehmadi Syed Adnan Ali Shah Farman Ali Khan Nasir Mehmood Khan Asifullah Khan Zainab Mustafa Halawi Hanif Ahmad 《Molecules (Basel, Switzerland)》2022,27(14)
This study reports the isolation of three new C20 diterpenoid alkaloids, Chitralinine A–C (1–3) from the aerial parts of Delphinium chitralense. Their structures were established on the basis of latest spectral techniques and single crystal X-rays crystallographic studies of chitralinine A described basic skeleton of these compounds. All the isolated Compounds (1–3) showed strong, competitive type inhibition against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) in comparison to standard allanzanthane and galanthamine however, chitralinine-C remained the most potent with IC50 value of 11.64 ± 0.08 μM against AChE, and 24.31 ± 0.33 μM against BChE, respectively. The molecular docking reflected a binding free energy of −16.400 K Cal-mol−1 for chitralinine-C, having strong interactions with active site residues, TYR334, ASP72, SER122, and SER200. The overall findings suggest that these new diterpenoid alkaloids could serve as lead drugs against dementia-related diseases including Alzheimer’s disease. 相似文献
82.
Qudsia Sarwer Muhammad Shoaib Amjad Ansar Mehmood Zakia Binish Ghazala Mustafa Atikah Farooq Mirza Faisal Qaseem Fozia Abasi Jos Manuel Prez de la Lastra 《Molecules (Basel, Switzerland)》2022,27(21)
Nanotechnology is the study and control of materials at length scales between 1 and 100 nanometers (nm), where incredible phenomena enable new applications. It affects all aspects of human life and is the most active research topic in modern materials science. Among the various metallic nanoparticles used in biomedical applications, silver nanoparticles (AgNPs) are among the most important and interesting nanomaterials. The aim of this study was to synthesize AgNPs from the leaf extract of Myrsine africana to investigate their antibacterial, antioxidant, and phytotoxic activities. When the leaf extract was treated with AgNO3, the color of the reaction solution changed from light brown to dark brown, indicating the formation of AgNPs. The UV-visible spectrum showed an absorption peak at 438 nm, confirming the synthesis of AgNPs. Scanning electron microscopy (SEM) showed that the AgNPs were spherical and oval with an average size of 28.32 nm. Fourier transform infrared spectroscopy confirms the presence of bio-compound functional groups on the surface of the AgNPs. The crystalline nature of the AgNPs was confirmed by XRD pattern. These biosynthesized AgNPs showed pronounced antibacterial activity against Gram-positive and Gram-negative bacteria, with higher inhibitory activity against Escherichia coli. At 40 µg/mL AgNPs, the highest antioxidant activity was obtained, which was 57.7% and an IC50 value of 77.56 µg/mL. A significant positive effect was observed on all morphological parameters when AgNPs were applied to wheat seedlings under constant external conditions at the different concentrations. The present study provides a cost-effective and environmentally friendly method for the synthesis of AgNPs, which can be effectively used in the field of therapeutics, as antimicrobial and diagnostic agents, and as plant growth promoters. 相似文献
83.
Vyshnavi Vennelakanti Helena W. Qi Rimsha Mehmood Heather J. Kulik 《Chemical science》2021,12(3):1147
Hydrogen bonds (HBs) play an essential role in the structure and catalytic action of enzymes, but a complete understanding of HBs in proteins challenges the resolution of modern structural (i.e., X-ray diffraction) techniques and mandates computationally demanding electronic structure methods from correlated wavefunction theory for predictive accuracy. Numerous amino acid sidechains contain functional groups (e.g., hydroxyls in Ser/Thr or Tyr and amides in Asn/Gln) that can act as either HB acceptors or donors (HBA/HBD) and even form simultaneous, ambifunctional HB interactions. To understand the relative energetic benefit of each interaction, we characterize the potential energy surfaces of representative model systems with accurate coupled cluster theory calculations. To reveal the relationship of these energetics to the balance of these interactions in proteins, we curate a set of 4000 HBs, of which >500 are ambifunctional HBs, in high-resolution protein structures. We show that our model systems accurately predict the favored HB structural properties. Differences are apparent in HBA/HBD preference for aromatic Tyr versus aliphatic Ser/Thr hydroxyls because Tyr forms significantly stronger O–H⋯O HBs than N–H⋯O HBs in contrast to comparable strengths of the two for Ser/Thr. Despite this residue-specific distinction, all models of residue pairs indicate an energetic benefit for simultaneous HBA and HBD interactions in an ambifunctional HB. Although the stabilization is less than the additive maximum due both to geometric constraints and many-body electronic effects, a wide range of ambifunctional HB geometries are more favorable than any single HB interaction.Correlated wavefunction theory predicts and high-resolution crystal structure analysis confirms the important, stabilizing effect of simultaneous hydrogen bond donor and acceptor interactions in proteins. 相似文献
84.
Hina Mehmood Muhammad Asif Iqbal Muhammad Naeem Ashiq Ruimao Hua 《Molecules (Basel, Switzerland)》2021,26(21)
In the presence of Cs2CO3, the first simple, efficient, and one-pot procedure for the synthesis of 3,5-diaryl pyridines via a variety of aromatic terminal alkynes with benzamides as the nitrogen source in sulfolane is described. The formation of pyridine derivatives accompanies the outcome of 1,3-diaryl propenes, which are also useful intermediates in organic synthesis. Thus, pyridine ring results from a formal [2+2+1+1] cyclocondensation of three alkynes with benzamides, and one of the alkynes provides one carbon, whilst benzamides provide a nitrogen source only. A new transformation of alkynes as well as new utility of benzamide are found in this work. 相似文献
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86.
Tin oxide (SnO2) thin films were deposited by radio frequency (RF) magnetron sputtering on clean corning glass substrates. These films were then annealed for 15 min at various temperatures in the range of 100-500°C. The films were investigated by studying their structural and electrical properties. X-ray diffraction (XRD) results suggested that the deposited SnO2 films were formed by nanoparticles with average particle size in the range of 23-28 nm. XRD patterns of annealed films showed the formation of small amount of SnO phase in the matrix of SnO2. The initial surface RMS roughness measured with atomic force microscopy (AFM) was 25.76 nm which reduces to 17.72 nm with annealing. Electrical resistivity was measured as a function of annealing temperature and found to lie between 1.25 and 1.38 mΩ cm. RMS roughness and resistivity show almost opposite trend with annealing. 相似文献
87.
Alan E. Enciso Francesca Lorandi Arshad Mehmood Marco Fantin Grzegorz Szczepaniak Benjamin G. Janesko Krzysztof Matyjaszewski 《Angewandte Chemie (International ed. in English)》2020,59(35):14910-14920
A facile and efficient two‐step synthesis of p‐substituted tris(2‐pyridylmethyl)amine (TPMA) ligands to form Cu complexes with the highest activity to date in atom transfer radical polymerization (ATRP) is presented. In the divergent synthesis, p‐Cl substituents in tris(4‐chloro‐2‐pyridylmethyl)amine (TPMA3Cl) were replaced in one step and high yield by electron‐donating cyclic amines (pyrrolidine (TPMAPYR), piperidine (TPMAPIP), and morpholine (TPMAMOR)) by nucleophilic aromatic substitution. The [CuII(TPMANR2)Br]+ complexes exhibited larger energy gaps between frontier molecular orbitals and >0.2 V more negative reduction potentials than [CuII(TPMA)Br]+, indicating >3 orders of magnitude higher ATRP activity. [CuI(TPMAPYR)]+ exhibited the highest reported activity for Br‐capped acrylate chain ends in DMF, and moderate activity toward C?F bonds at room temperature. ATRP of n‐butyl acrylate using only 10–25 part per million loadings of [CuII(TPMANR2)Br]+ exhibited excellent control. 相似文献
88.
Tayyaba Ghani Mohammad Mujahid Mazhar Mehmood Gengmin Zhang Sumaira Naz 《Journal of Saudi Chemical Society》2019,23(8):1231-1240
Combined structure of anodic TiO2 nanotubes and TiO2 nanoparticles (TiNTs-TiNPs) has been synthesized by a facile combination of hydrothermal and chemical vapor deposition methods. Ordered TiO2 nanotubes with smooth walls were fabricated by two step anodization method in ethylene glycol containing NH4F at 50 V. This nanotubular array after annealing at 450 °C was subjected to the hydrothermally produced gaseous environment in an autoclave with diluted TiCl4 solution at its bottom. Vapors of TiCl4 were allowed to react chemically with water vapors for predefined time durations at 180 °C that resulted in the deposition of TiO2 nanoparticles on tubes’ surface and side walls. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) confirmed that for one hour reaction duration, nanoparticles were evenly coated on the walls of nanotubes, whereas, longer durations tend to deteriorate the tubular structure. Consequently, the ordered TiNTs-TiNPs array produced after one hour coating has shown better performance for dye-sensitized solar cell DSSC) in back illumination mode with 130% increase in efficiency as compared to the device based on bare TiO2 nanotubes. The same photoanode has higher reflective properties with higher scattering ability. The solar cell based on this photoanode exhibits higher external quantum efficiency and effective charge transport properties. This study shows that porous ordered 1D structures based on TiO2 are of crucial importance for the high performance of DSSCs. 相似文献
89.
Saima Yasin Tanveer Iqbal Fazeel Ahmad Hamayoun Mehmood Paul F. Luckham 《高分子科学杂志,A辑:纯化学与应用化学》2019,56(7):640-647
Nano-indentation is an interesting tool for analyzing nano-scale mechanical properties. The analysis of nano-mechanical properties as a function of experimental conditions is very critical for designing engineering components. In this study, nano-indentation experiments were performed by considering different values of amplitude (1, 5, 10?nm), frequency (11.2, 22.5, 45?Hz), strain rate (0.02, 0.05, 0.1, 0.2, 1?s?1), peak load (10, 30, 100?mN) and hold time (1, 3, 5, 10, 20, 50, 100?sec) to analyze their effect on the mechanical properties of LDPE. The results showed that the effect of amplitude and frequency on the nano-mechanical properties of LDPE were negligible. Load-displacement curves displayed a shift towards higher indentation depths along with a decrease in peak load from 20.6 to 14.8?mN by having a decrease in strain rate from 1 to 0.02?s?1. Elastic modulus and hardness values exhibited a decrease with an increase in hold time. Logarithmic creep model was used to fit the experimental data of creep as a function of holding time which showed good agreement (r2 ≥ 0.97) with the experimental values. Recommended holding times are also suggested to eliminate the creep and nose problem in order to achieve high accuracy in measurements. 相似文献
90.
In the present experimental work, oscillator strengths of the 4s5s 3S1 → 4snp 3Po2 (18?≤?n?≤?53) Rydberg transitions of zinc are reported. The stepwise laser excitation from the ground state 4s2 1S0 was achieved using three dye laser beams simultaneously pumped by the second (532?nm) and third (355?nm) harmonics of a Q-switched Nd: YAG (Neodymium-doped yttrium aluminum garnet) laser. The vapor containment and detection system was a single wire thermionic diode ion detector operating in space charge limited mode. A trend of the above-mentioned f-values from n?=?18 to 53 versus the principle quantum number n has been presented. Furthermore, continuity has been verified between the discrete f-values and the oscillator strength density at the threshold. 相似文献