Search results for: cucurbit[n]urils

Authors: Fakhreldin O. Suliman, Alia H. Al-Battashi

Abstract:

This work explored the interaction of three different imidazoline drugs, naphazoline nitrate (NPH), oxymetazoline hydrochloride (OXY) and xylometazoline hydrochloride (XYL) with two different synthesized cucurbit[n]urils CB[n], cucurbit[7]uril (CB[7]) and cucuribit[8]uril (CB[8]). Three binary inclusion complexes have been investigated in solution and in the solid state. The solid complexes were obtained by lyophilization, whereas the physical mixtures of guests and hosts at a stoichiometric ratio of 1:1 were obtained for each drug. 1HNMR, electrospray ionization mass spectrometry (ESI-MS), and matrix-assisted laser desorption-ionization time-of-flight (MALDI-TOF) mass spectrometry was used to study the complexes prepared in aqueous media. The lyophilized solid complexes were characterized by Fourier transform-infrared spectroscopy (FT-IR), powder X-ray diffractometry (PXRD), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). MS, FT-IR and PXRD experimental results established in this work reveal that NPH, OXY and XYL molecules form stable inclusion complexes with the two hosts. The TGA and DSC confirmed the enhancement of the thermal stability of each drug and the production of a thermally stable solid complex. The 1HNMR has shown that the protons of the guests faced shifting in ppm and broadening of their peaks upon the formation of inclusion complexes with the selected CB[n]. The aromatic protons of the guest exhibited the highest changes in the chemical shifts and shape of the NMR peaks, suggesting their inclusion into the cavity of the CB[n]. The diffusion coefficients (D), developed from the diffusion-controlled NMR Spectroscopy (DOSY) measurements, for the complexation of the selected imidazoline drugs with CB[7] and CB[8], were decreased in the presence of hosts compared to the free guests indicating the formation of the guest-host adduct. Furthermore, we conducted molecular dynamic simulations and quantum mechanics calculations on these complexes. The results of the theoretical study corroborate the experimental findings and have also shed light on the mechanism of inclusion of the guests into the two hosts. This study generates initial data for potential drug delivery or drug formulation systems for these three selected imidazoline drug compounds based on their inclusion into the CB[n] cavities.

Keywords: cucurbit[n]urils, imidazoline, inclusion complexes, molecular dynamics, DFT calculations, mass spectrometry

Procedia PDF Downloads 26

Authors: Kevin A. Droguett, Edwin G. Pérez, Denis Fuentealba, Margarita E. Aliaga, Angélica M. Fierro

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Supramolecular chemistry is a field of growing interest. Moreover, studying the formation of host-guest complexes between macrocycles and dyes is highly attractive due to their potential applications. Examples of the above are drug delivery, catalytic process, and sensing, among others. There are different dyes of interest in the literature; one example is the quinolinone derivatives. Those molecules have good optical properties and chemical and thermal stability, making them suitable for developing fluorescent probes. Secondly, several macrocycles can be seen in the literature. One example is the cucurbiturils. This water-soluble macromolecule family has a hydrophobic cavity and two identical carbonyl portals. Additionally, the thermodynamic analysis of those supramolecular systems could help understand the affinity between the host and guest, their interaction, and the main stabilization energy of the complex. In this work, two 7-(diethylamino) quinoline-2 (1H)-one derivative (QD1-2) and their interaction with cucurbit[7]uril (CB[7]) were studied from an experimental and in-silico point of view. For the experimental section, the complexes showed a 1:1 stoichiometry by HRMS-ESI and isothermal titration calorimetry (ITC). The inclusion of the derivatives on the macrocycle lends to an upward shift in the fluorescence intensity, and the pKa value of QD1-2 exhibits almost no variation after the formation of the complex. The thermodynamics of the inclusion complexes was investigated using ITC; the results demonstrate a non-classical hydrophobic effect with a minimum contribution from the entropy term and a constant binding on the order of 106 for both ligands. Additionally, dynamic molecular studies were carried out during 300 ns in an explicit solvent at NTP conditions. Our finding shows that the complex remains stable during the simulation (RMSD ~1 Å), and hydrogen bonds contribute to the stabilization of the systems. Finally, thermodynamic parameters from MMPBSA calculations were obtained to generate new computational insights to compare with experimental results.

Keywords: host-guest complexes, molecular dynamics, quinolin-2(1H)-one derivatives dyes, thermodynamics

Procedia PDF Downloads 56

Authors: Abro Zain-Ul-Aabdin, Naheed Baloch, Khuhro Niaz Hussain, Waseem Akbar, Noor Abid Saeed

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The Melon Fruit Fly Bactrocera cucurbitae (Coq.) belongs to family: Tephritidae order: Diptera and is distributed throughout the vegetable growing areas of Pakistan. The B. cucurbitae is injurious pest of more than 125 species of the vegetables throughout the world. In the present studies we investigated the population of this important pest in cucurbit crops and influence of abiotic parameters such as: temperature, relative humidity and rainfall. The study was carried out at two different locations of District, Hyderabad. The locations were Jeay Shah and Dehli farm where three cucurbit vegetable crops, such as bottle gourd (Lagenaria siceraria), bitter gourd (Momordica charantia) and ridge gourd (Luffa acutangula) were grown. The traps were baited with Cue-lure and deployed at three meter height in the all locations from 01.01.2015 and up to 30.06.2015. Results revealed that overall significantly higher (P < 0.05) population was recorded on L.acutangula, M.charantia and L.siceraria (130.64, 127.21, and 122.91), respectively. However, significantly higher (P < 0.05) population was observed on L. acutangula (339.4±22.59) during the 4th week of May 2015 followed by M. charantia (334.6±22.76) L. siceraria (333.2±20.13). Whereas; lowest population was recorded on L. siceraria (5.8±1.39) followed by L. acutangula and M. charantia (6.8±0.80g, 8.0±1.30) respectively during the 4th week of January. The population of B. cucurbitae was significantly correlated with the temperature while negatively correlated with relative humidity. Meanwhile in the parasitism preference experiment pupal parasitoid Dirhinus giffardii showed significantly higher (P<0.05) parasitization when the pupae of B.cucurbitae were reared on Cucumber (Cucumis sativus) (24.8±0.48) and also female were yielded from pupae reared on C.sativus under no choice experiment. Similarly higher parasitization and female were recovered when pupae were supplied C. sativus under free choice experiment. Results of the present investigation would be useful in developing a sustainable pest management strategy in the vegetable agro-ecosystem.

Keywords: Dirhinus giffardii, Bactrocera cucurbitae Cucumis sativus, diptera, free choice, parasitization

Procedia PDF Downloads 332

Authors: D. R. T. N. K. Dissanayake, H. M. S. K. Herath, H. K. S. G. Gunadasa, P. Weerasinghe

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Luffa is a tropical and subtropical vegetable, belongs to family Cucurbiteceae. It is predominantly monoecious in sex expression and provides an ample scope for utilization of hybrid vigor. Hybrid varieties develop through open pollination, produce higher yields due to its hybrid vigor. Naga F1 hybrid variety consists number of desirable traits other than higher yield such as strong and vigorous plants, fruits with long deep ridges, attractive green color fruits ,better fruit weight, length and early maturity compared to the local Luffa cultivars. Unavailability of fertilizer recommendations for hybrid cucurbit vegetables leads to an excess fertilizer application causing a vital environmental issue that creates undesirable impacts on nature and the human health. Main Objective of this research is to determine effect of different nitrogen and potassium fertilizer rates on growth and yield of Naga F1 Variety. Other objectives are, to evaluate specific growth parameters and yield, to identify the optimum nitrogen and potassium fertilizer levels based on growth and yield of hybrid Luffa variety. As well as to formulate the general fertilizer recommendation for hybrid Luffa -Naga F1 variety.

Keywords: hybrid, nitrogen, phosphorous, potassium

Procedia PDF Downloads 555

Authors: Oyediran Wasiu Oyeleke

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Melon is a popular economic cucurbit in Southwest, Nigeria. In recent time, many young farmers are shifting from melon to watermelon farming due to poor yield and low monetary returns. Hence, this study was carried out to assess the decline in melon yield and its contribution to young farmers’ diversification into watermelon farming in Oyo state, Nigeria. Purposive sampling technique was used in selecting 75 respondents from five villages in Ibarapa block of the Oyo State Agricultural Development Project (ADP). Data collected were analyzed using descriptive statistics and Pearson Product Moment Correlation (PPMC). Results show that majority of the respondents (77.3%) were between 31-40 years of age and 46.70% had secondary school education. Most of the respondents (80%) cultivated more than 3 ha of land for watermelon. Majority of the respondents (74.7%) intercropped melon with other crops while watermelon was cultivated as a sole crop. None of the respondents either grew improved melon seeds (certified seeds) or applied fertilizers but all respondents cultivated treated watermelon seeds, applied fertilizers, and agro-chemicals. The average yields of melon fell from 376.53kg/ha in 2009 to 280.70kg/ha in 2011. However, the respondents were shifting into watermelon production because of available quality seeds and its early maturity, easy harvest, and high sales. There was a significant relationship between melon output and young farmers’ diversification to watermelon in the study area at p < 0.05. The study concluded that decline in the melon yield discouraged youth to continue melon farming in the study area. It is hereby recommended that certified melon seeds should be made available while extension service providers should provide training support for the young farmers in order to reposition and boost melon production in the study area.

Keywords: decline, melon yield, contribution, watermelon, diversification, young farmers

Procedia PDF Downloads 154

Authors: Serkan Yesil

Abstract:

Cucurbits (the Cucurbitaceae family) include 119 genera and 825 species distributed primarily in tropical and subtropical regions of the world. The major cultivated cucurbit species such as melon (Cucumis melo L.), cucumber (Cucumis sativus L.), squash (Cucurbita pepo L.), and watermelon (Citrullus lanatus (Thunb) Matsum.&Nakai) are important vegetable crops worldwide. Squash is grown for fresh consuming, as well as its seeds are used as a snack in Turkey like some Mediterranean countries and Germany, Hungary, Austria and China. Virus diseases are one of the most destructive diseases on squash which is grown for seeds in Aksaray province. In this study, it was aimed to determine the virus infections in major squash growing areas in Aksaray province. Totally 153 plant samples with common virus symptoms like mosaic, curling, blistering, mottling, distortion, shoestring, stunting and vine decline were collected from squash plants during 2014. In this study, DAS-ELISA method is used for identifying the virus infections on the plant samples. According to the results of the DAS-ELISA 84.96 % of plant samples were infected with Zucchini yellow mosaic Potyvirus (ZYMV), Watermelon mosaic Potyvirus-2 (WMV-2), Cucumber mosaic Cucumovirus (CMV), Papaya ringspot Potyvirus-watermelon strain (PRSV-W) and Squash mosaic Comovirus (SqMV). ZYMV was predominant in the research area with the ratio of 66.01 %. WMV-2 was the second important virus disease in the survey area, it was detected on the samples at the ratio of 57.51 %. Also, mixed infections of those virus infections were detected commonly in squash. Especially, ZYMV+WMV-2 mixed infections were common. Cucumber green mottle mosaic Tobamovirus (CGMMV) was not present in the research area.

Keywords: Aksaray, DAS-ELISA, edible seed squash, WMV-2, ZYMV

Procedia PDF Downloads 199