Copper Catalyzed Cycloaddition Reaction of Azidomethyl Benzene With 2,2-Di(prop-2-yn-1-yl)propane-1,3-diol: DFT and QTAIM Investigation | Author : monireh ghiasifar; tayebeh hosseinnejad; Akram Ahangar | Abstract | Full Text | Abstract :In this study, the cycloaddition of azidomethyl benzene with 2,2-di(prop-2-yn-1-yl)propane-1,3-diol in the presence of copper catalyst was modeled electronically and thermodynamically in the gas and two solution phases, using quantum chemistry methods. In this line, we investigated some aspects of products and their related transition states through two plausible catalytic reaction pathways, leading to the unexpected synthesis of a statistical mixture of mono and bis-triazoles, from structural and energetic viewpoints. The obtained results revealed that production of mono and bis-triazole mixture can be essentially attributed to the balance of thermochemical and kinetical factors. Additionally, we analyzed topologically the electron density through quantum theory of atoms in molecules. In this line, electron density, its laplacian and electronic energy density properties were assessed on key bond and ring critical points to explicate more clearly the origins of electronic stability in triazole and bis-triazole products and their associated transition states.
|
| Nano-[Fe3O4@SiO2@RNHMe2][HSO4]: an effectual catalyst for the production of 1-amidoalkyl-2-naphthols | Author : Marziyeh Barzegar; Abdolkarim Zare | Abstract | Full Text | Abstract :Nano-[Fe3O4@SiO2@RNHMe2][HSO4] (NFSRNH), as an effectual and magnetically recyclable catalyst, promoted the solvent-free production of 1-amidoalkyl-2-naphthols through the multi-component reaction of aldehydes, 2-naphthol and primary amides. This method has the advantages of high yield, mild reaction conditions, environmentally benign methodology and short reaction time. Given the increasing levels of interest in green chemistry, the recyclability and reusability of the catalyst have been evaluated.
|
| Importance of forensic techniques in the investigation of rape (sodomy) and murder | Author : Bhausaheb Parashuram More; Apurva D Deore; Maruti S Ghuge; Narendra R Gosavi; Sangita V Ghumatkar | Abstract | Full Text | Abstract :The forensic DNA fingerprinting technique play a vital role during the investigation of rape and murder cases and gives strong scientific evidence for linking the suspect with the scene of crime and victim. We present a case along with an analysis technique that will bring about the importance of forensic biology and DNA technique of how forensic science is helpful to give conclusions to the rape and murder case. In forensic biology, blood typing was an important forensic tool but blood typing was not a very discriminating technique. The blood group of victims and suspects may be similar in most cases so the use of DNA profiling has increased. DNA can be extracted from bloodstains and semen proves an act of rape and murder. |
| Development and validation of RP-HPLC method for simultaneous quantification of the anticancer agents, nilotinib and sorafenib: Application in In-vitro analysis | Author : Azra Takhvar; Somaye Akbari; Effat Souri; Reza Ahmadkhaniha; Ali Morsali; Mohammad Reza Khoshayand; Mohsen Amini | Abstract | Full Text | Abstract :In this research, a reversed phase high performance liquid chromatographic method was developed for the simultaneous determination of two tyrosine kinase inhibitors, nilotinib and sorafenib. Separation was performed on an Agilent C18 column (4.6×250 mm, 5µm) with mobile phase composition of potassium dihydrogen phosphate buffer (25 mM, pH 4.2) and acetonitrile (35:65 v/v) at 1.2 mL/min with UV detection at 265 nm. Specificity, linearity, precision, accuracy, and robustness of the proposed method were all assessed. Nilotinib and sorafenib had estimated retention times of 5.1 and 5.9 minutes, respectively. Linear concentration ranges for nilotinib and sorafenib, were determined as 0.05-1 µg/mL and 10-45 µg/mL with comparable coefficient correlations (0.999). For nilotinib and sorafenib, the limits of detection (LOD) were determined as 0.030 and 0.020 µg/mL, while the limits of quantification (LOQ) were 0.101 and 0.069 µg/mL respectively.
|
| The Effect of Drought Stress on Physiological Traits in Lines and Cultivars of Bread Wheat (Triticum aestivum L.) | Author : Kamal Shahbazi Homounlou; Ali Ebadi; Salim Farzaneh; Manocher Khodarahmi | Abstract | Full Text | Abstract :All around the globe, drought is considered one of the critical threats putting agricultural industries at stake. With such impediments existing, challenges of feeding the population arise. This study evaluated and selected appropriate wheat cultivars with desirable traits. The objective was achievable by accurately assessing quality traits and resistance characteristics under simulated drought-stress conditions. From 2018 till 2020, six cultivars were evaluated using a split-plot design with three repetitions. The study consists of a control plot (regular irrigation throughout the growing season; zero drought stress), moderate drought stress (irrigation halted before booting stage), and complete drought stress. According to the results, the intensity of drought stress has statistically significant impacts on quality traits; in other words, the content of soluble sugars, protein, and proline were affected. Furthermore, alternations in enzyme functions, such as peroxidase and polyphenol oxidase, were observed. The leaf protein content declined under moderate and full drought treatments (-55% and 71%, respectively). However, a significant increase was detected in total soluble sugar (4 and 10%, respectively) and proline content (26 and 45%, respectively), along with intensified enzymatic functions for peroxidase (10 and 22%, respectively) and polyphenol oxidase (4 and 10%, respectively). According to the results, certain biochemical traits should be taken into account when selecting drought-tolerant wheat varieties. The most durable cultivar was N-93-17, with the highest yield potentials, followed by Tirgan in terms of water deficiency. Rank sum analysis identified the most drought-tolerant cultivars as ‘N-93-17’ and ‘Aftab’. Results of this investigation would be of great importance in selecting desirable parents for the breeding program to develop wheat cultivars resistant to drought stress conditions
|
| Removal of Copper II from Industrial Effluent with Beta Zeolite Nanocrystals | Author : Bijan Ghanavati; Alireza Bozorgian | Abstract | Full Text | Abstract : Heavy metals, including copper, are one of the most toxic pollutants in the world today due to the consumption prevalence in industry. There are several ways to remove copper from wastewater, each of which has advantages and limitations. Adsorption is one of the easiest and most commonly used methods to remove heavy metals from aqueous environments. On the other hand, the production of cheap adsorbents using waste from different factories can play an important role in reducing environmental pollution. For this, using copper ion (II) adsorption was investigated using a nanoscale zeolite beta adsorbent through batch adsorption experiments. In the following, various parameters affecting the adsorption process such as pH, initial concentration, temperature, adsorbent amount and contact time were investigated. The highest removal efficiency was observed at pH = 5 at 25 °C for 25 minutes, with a 0.25 g of nanocrystalline zeolite beta in 20 ml of copper solution. The traditional study of copper adsorption by nanocrystalline zeolite beta results in a well-respected second-order pseudo-model. Also, the adsorption thermodynamic studies indicate that the adsorption data is followed by the Doubinin-Raduskovich equivalence model with a correlation coefficient (R2 = 0.9963) at a temperature of C50.
|
| Review of Proposed Strategies to Improve Nutrition in Different Communities | Author : Mina Jafari | Abstract | Full Text | Abstract :The evidence suggests that Iranian society is rapidly moving towards a double problem in an accelerated nutritional transition. This means that on the one hand, energy protein malnutrition in children less than 5 years of age and deficiency of micronutrients (iron, iodine, zinc, calcium, and vitamins A and D) are observed in a large share of the country’s population. According to ANIS study by the Office of Community Nutrition Improvement in the Ministry of Health in 1998, 800,000 children under 5 years (15.4%) suffer from moderate to severe nutritional shortness, which indicates chronic and long-term malnutrition. The National Survey of Micronutrients in 2002 also indicated that 15 to 40% of children, adolescents, and pregnant women are deficient in iron and there is zinc deficiency in about 30% of children and adolescents and 44% of the pregnant women in the country. On the other hand, warning signs of the spread of metabolic diseases such as cardiovascular disease, diabetes, obesity, and various cancers can be seen in cities, especially large cities. According to the available statistics, out of every 800 deaths per day, 300 deaths are due to cardiovascular diseases, and one of the main reasons is a change in food consumption pattern
|
| Phytochemical evaluation, in vitro-in vivo antioxidant and cytotoxicity activities of various layers of watermelon fruit Citrullus lanatus (Cucurbitaceae) Matsum. & Nakai | Author : Cletus Anes Ukwubile; Umar Idriss; Abdulmalik M. Isah | Abstract | Full Text | Abstract :Citrullus lanatus (watermelon) is a popular plant whose fruits are use in all parts of Nigeria as remedy for various diseases. In this present study, the phytochemical contents, antioxidant and cytotoxicity activities of extracts from the various layers (peel, rind, pulp and seeds), of watermelon fruit were evaluated. The phytochemical contents were evaluated qualitatively while NMR and GC-MS used to identify phytoconstituents present. Antioxidant activities were examined by DPPH, H2O2 radical scavenging, ORAC, FRAP, and ABTS assays. In vitro cytotoxic activity was examined by MTT assay while apoptosis was detected by flow cytometry as well as fluorescence microscopy. Phytochemical evaluation showed the presence of various metabolites in the pulp and seed extracts. GC-MS and NMR elucidations of compound revealed the presence of methyl stearate ester. Antioxidant evaluations by various radical scavenging showed that the pulp (PP) had IC50 value of 8-22 µg/mL, indicating potential antioxidant effect. In vivo evaluation of superoxide dismutase, catalase activities and total proteins in serum of rats further confirmed the in vitro studies. Antiproliferative study showed that the pulp and the seeds significantly displayed concentration-dependent effects. These results were further replicated in the cytotoxicity effect against MCF-7 and HMVII cells with much reduced IC50 on MCF-7, as well as early and late apoptosis after 72 h caused by exposure of pulp extract in vitro. Our study showed that the pulp and seed layers of watermelon contain phytochemicals which were responsible for its antioxidant and cytotoxicity effects
|
|
|