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2022 ◽  
Vol 0 (0) ◽  
Author(s):  
Bassam Oudh Aljohny ◽  
Yasir Anwar ◽  
Shahid Ali Khan

Abstract In the current study, five different plants, Syzygium Cumini, Fagonia cretica, Acacia modesta, Withania coagulans, and Olea europaea aqueous extracts were prepared and applied against the anticancer and antibacterial activities. It was observed that O. Europaea extract shows the highest anticancer activity with cell viability of 21.5%. All the five plants extract was also used against the inhibition of Bacillus subtilis where O. Europaea extract shows a promising inhibitory activity of 3.2 cm followed by W. coagulans. Furthermore, W. coagulans was subjected to the process of column chromatography as a result a withanolide was isolated. The fast atom bombardment mass spectrometry (FAB-MS) and high resolution fast atom bombardment (HRFAB-MS) [M + 1] indicated molecular weight at m/z 453 and molecular formula C28H37O5. The UV–Vis. spectrum shows absorbance at 210 nm suggesting the presence of conjugated system, and Fourier-transform infrared spectroscopy (FTIR) was recorded to explore the functional groups. Similarly, 1D and 2D NMR spectroscopy techniques such as 1H, 13C NMR, correlation spectroscopy (COSY-45°), heteronuclear single quantum correlation (HSQC), heteronuclear multiple bond correlation (HMBC) and Nuclear Overhauser effect Spectroscopy (NOESY) techniques was carried out to determine the unknown natural product. The collective data of all these techniques established the structure of the unknown compound and recognized as a withanolide.


2022 ◽  
Vol 23 (2) ◽  
pp. 888
Author(s):  
Żaneta Arciszewska ◽  
Sofia Gama ◽  
Monika Kalinowska ◽  
Grzegorz Świderski ◽  
Renata Świsłocka ◽  
...  

Caffeic acid (CFA) is one of the various natural antioxidants and chemoprotective agents occurring in the human diet. In addition, its metal complexes play fundamental roles in biological systems. Nevertheless, research on the properties of CFA with lanthanide metals is very scarce, and little to no chemical or biological information is known about these particular systems. Most of their properties, including their biological activity and environmental impact, strictly depend on their structure, stability, and solution behaviour. In this work, a multi-analytical-technique approach was used to study these relationships for the Eu(III)/CFA complex. The synthesized metal complex was studied by FT-IR, FT-Raman, elemental, and thermal (TGA) analysis. In order to examine the chemical speciation of the Eu(III)/CFA system in an aqueous solution, several independent potentiometric and spectrophotometric UV-Vis titrations were performed at different M:L (metal:ligand) and pH ratios. The general molecular formula of the synthesized metal complex in the solid state was [Eu(CFA)3(H2O)3]∙2H2O (M:L ratio 1:3), while in aqueous solution the 1:1 species were observed at the optimum pH of 6 ≤ pH ≤ 10, ([Eu(CFA)] and [Eu(CFA)(OH)]−). These results were confirmed by 1H-NMR experiments and electrospray-ionization mass spectrometry (ESI-MS). To evaluate the interaction of Eu(III)/CFA and CFA alone with cell membranes, electrophoretic mobility assays were used. Various antioxidant tests have shown that Eu(III)/CFA exhibits lower antioxidant activity than the free CFA ligand. In addition, the antimicrobial properties of Eu(III)/CFA and CFA against Escherichia coli, Bacillus subtilis and Candida albicans were investigated by evaluation of the minimum inhibitory concentration (MIC). Eu(III)/CFA shows higher antibacterial activity against bacteria compared to CFA, which can be explained by the highly probable increased lipophilicity of the Eu(III) complex.


Author(s):  
Emmanuel Uka1,

Sphenocentrum jollyanum is a plant genus of the family Menispermaceae. It has high medicinal importance as it is used traditionally to treat various diseases such as jaundice, breast engorgement related to the menstrual cycle, tumour, fibroids and improve the health of people. The present investigation was carried out to analyze the bioactive compounds present in ethanol crude extract of Sphenocentrum jollyanum leaves using GC-MS analysis. GC-MS analysis of ethanol extract Sphenocentrum jollyanum was done using a 7890A GC system (Agilent Technologies), coupled with 5977B MSD (Agilent Technologies) while the mass spectra of the compounds found in the extract was matched with the National Institute of Standards and Technology (NIST) library. A total of 45 bioactive compounds representing 99.98% of the total extract based on the retention time, peak area, molecular formula, molecular weight, and biological activities were identified by GC-MS which ranges from high molecular weight to low molecular weight compounds. The major compounds identified with their peak area percentages were 2,4-Di-tertbutylphenol, (21.05%), Z-8-Methyl-9-tetradecenoic acid (19.12), Hexadecanoic acid, ethyl ester (7.86%), Diisooctyl phthalate (7.13%), Phytol, Oleic Acid (7.03), 6,9,12- Octadecatrien-1-ol (6.65%), 3-Eicosene, (E)-(4.63%), 2-Methyl-Z, Z-3,13-octadecadienol (4.24%), n- Hexadecanoic acid (4.09%), trans-13-Octadecenoic acid (3.81%), Cyclohexene, 4-(4-ethylcyclohexyl) -1- pentyl- (3.74%), Dibutyl phthalate (3.20%), and 9-Oxabicyclo (6.1.0) nonane, cis-(3.18%). The presence of these major phytoconstituents in the leaf extract provides various biological activities including antifungal, antibacterial, antioxidant, anti-inflammatory, and anti-tumour which supports the ethno-medicinal uses of the plant in curing diseases. We recommend


2022 ◽  
Vol 12 ◽  
Author(s):  
Sicon Mitra ◽  
Uttpal Anand ◽  
Niraj Kumar Jha ◽  
Mahipal S. Shekhawat ◽  
Suchismita Chatterjee Saha ◽  
...  

Piperine and piperidine are the two major alkaloids extracted from black pepper (Piper nigrum); piperidine is a heterocyclic moiety that has the molecular formula (CH2)5NH. Over the years, many therapeutic properties including anticancer potential of these two compounds have been observed. Piperine has therapeutic potential against cancers such as breast cancer, ovarian cancer, gastric cancer, gliomal cancer, lung cancer, oral squamous, chronic pancreatitis, prostate cancer, rectal cancer, cervical cancer, and leukemia. Whereas, piperidine acts as a potential clinical agent against cancers, such as breast cancer, prostate cancer, colon cancer, lung cancer, and ovarian cancer, when treated alone or in combination with some novel drugs. Several crucial signalling pathways essential for the establishment of cancers such as STAT-3, NF-κB, PI3k/Aκt, JNK/p38-MAPK, TGF-ß/SMAD, Smac/DIABLO, p-IκB etc., are regulated by these two phytochemicals. Both of these phytochemicals lead to inhibition of cell migration and help in cell cycle arrest to inhibit survivability of cancer cells. The current review highlights the pharmaceutical relevance of both piperine and piperidine against different types of cancers.


2022 ◽  
Vol 2022 (1) ◽  
Author(s):  
Wajahat Ali ◽  
Ali Turab ◽  
Juan J. Nieto

AbstractA branch of mathematical science known as chemical graph theory investigates the implications of connectedness in chemical networks. A few researchers have looked at the solutions of fractional differential equations using the concept of star graphs. Their decision to use star graphs was based on the assumption that their method requires a common point linked to other nodes but not to each other. Our goal is to broaden the scope of the method by defining the idea of a cyclohexane graph, which is a cycloalkane with the molecular formula $C_{6}H_{12}$ C 6 H 12 and CAS number 110-82-7. It consists of a ring of six carbon atoms, each bonded with two hydrogen atoms above and below the plane with multiple junction nodes. This article examines the existence of fractional boundary value problem’ solutions on such graphs in the sense of the Caputo fractional derivative by using the well-known fixed point theorems. In addition, an example is given to support our key findings.


Materials ◽  
2021 ◽  
Vol 15 (1) ◽  
pp. 269
Author(s):  
Ying Chen ◽  
Yan Lam Ip ◽  
Liangyu Zhou ◽  
Pik Yi Li ◽  
Yee Mei Chan ◽  
...  

Purpose: To investigate the toxicity of the low-molecular-weight components (LMWCs) in ophthalmic silicone oils (SilOils) on retinal cell lines. Methods: The toxicity of six types of LMWCs were studied and compared with conventional SilOil 1000 cSt. In vitro cytotoxic tests of LMWCs, in both liquid and emulsified forms, on three retinal cell lines (Müller cells (rMC-1), photoreceptor cells (661W) and retinal pigment epithelial cells (ARPE-19)) were conducted using a transwell cell culturing system. The morphology and viability of cells were assessed by light microscopy and Cell Counting Kit-8 (CCK-8) assay at different time points (6, 24 and 72 h). The ARPE-19 apoptotic pathway was investigated by Mitochondrial Membrane Potential/Annexin V Apoptosis Kit at different time points (6, 24 and 72 h). Results: Apart from dodecamethylpentasiloxane (L5), all liquid LMWCs showed varying degrees of acute cytotoxicity on retinal cell lines within 72 h. Emulsified LMWCs showed comparable cytotoxicity with liquid LMWCs on retinal cell lines. Cyclic LMWCs, octamethylcyclotetrasiloxane (D4) and decamethylcyclopentasiloxane (D5) had significantly higher cytotoxicity when compared with their linear counterparts decamethyltetrasiloxane (L4) and L5 with similar molecular formula. Using ARPE-19 cells as an example, we showed that LMWCs induce the apoptosis of retinal cells. Conclusions: Most LMWCs, in both liquid and emulsified forms, can induce acute cytotoxicity. In addition, cyclic LMWCs are suspected to have higher cytotoxicity than their linear counterparts. Therefore, LMWCs are suspected to be the main cause of the long-term toxicity of ophthalmic SilOil, due to their toxicity and propensity to cause ophthalmic SilOil to emulsify. The amount of LMWCs should be considered as the paramount parameter when referring to the quality of SilOil.


2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Pong Kau Yuen ◽  
Cheng Man Diana Lau

Abstract Combustion reactions, stoichiometry, and redox reactions are some of the basic contents in chemistry curriculum. Although the counting of transferred electrons is critical in redox reactions, assigning mean oxidation number of organic carbons (ONc) is not always easy. Even though the relationship between the oxidative ratio (OR) and ONc is known, the relationship between the number of transferred electrons (Te−) and OR has not been thoroughly studied. The H-atom method has already been developed to balance and deduct organic combustion reactions. It can be used further to help establish the relationships among the stoichiometric coefficients (SC), the number of transferred hydrogens (TH), and Te−. This article uses the procedures of the H-atom method for balancing and deducting, and the known relationships among SC, TH, and Te− for exploring the relationships among SC, Te−, ONc, and OR in organic combustion reactions. By integrating three sets of relationships: (i) SC and Te−, (ii) Te− and ON, and (iii) SC and OR, the interconversions among SC, Te−, ONc, and OR can be mathematically formulated. Furthermore, Te−, ONc, and OR can be assigned by SC and the general molecular formula of CxHyOzXw.


2021 ◽  
Author(s):  
John Simmie

This work documents the properties of a number of isomers of molecular formula C2H5NO from the most stable, acetamide, through 1,2-oxazetidine and including even higher energy species largely of a dipolar nature. Only two of the isomers have been detected in emissions from the interstellar medium (ISM); possible further candidates are identifi�ed and the likelihood of their being detectable are considered. In general hardly any of these compounds have featured in the existing chemical literature so this work represents an important contribution extending the canon of chemical bonding which can contribute to machine-learning | providing a more exacting test of AI applications. The presence of acetamide, CH3C(O)NH2, is the subject of current debate with no clear and obvious paths to its formation; it is shown that a 1,3[H]-transfer from (E,Z ) ethanimidic acid, CH3C(OH){{NH, is feasible in spite of an energy barrier of 130 kJ/mol. It is speculated that the imidic acid can itself be formed from abundant precursors, H2O and CH3C{{{N, in an acid-induced, water addition, auto-catalytic reaction on water-ice grains.


2021 ◽  
Vol 11 (24) ◽  
pp. 11912
Author(s):  
Thandiwe Crystal Totito ◽  
Katri Laatikainen ◽  
Omoniyi Pereao ◽  
Chris Bode-Aluko ◽  
Leslie Petrik

The accumulation of plastic waste products in the environment has adversely affected wildlife and human beings. Common plastics that accumulate in the environment are plastics that are made of polyethylene terephthalate (PET) polymer. PET plastic waste products can be recycled for beneficial use, which would reduce their negative impacts. In this study, modified PET or waste PET (WPET) from plastic bottles was blended with powder commercial 2-(aminomethyl)pyridine (SiAMPy) resin and electrospun into composite nanofibres and applied for Cu2+ adsorption. PET-SiAMPy or WPET-SiAMPy composite nanofibres fibre diameters from the HRSEM images were 90–140 nm and 110–155 nm, respectively. In batch adsorption experiments, PET-SiAMPy or WPET-SiAMPy composite nanofibres achieved Cu2+ adsorption equilibrium within 60 secs of contact time with 0.98 mmol/g (89.87%) or 1.24 mmol/g (96.04%) Cu2+ adsorption capacity. The Cu2+ complex formation rate (k) with WPET-SiAMPy was 0.0888 with the mole ratio of Cu2+ and WPET-SiAMPy nanofibres 1:2. The complex molecular formula formed was Cu(WPET-SiAMPy)2 with a square planar geometry structure. The WPET-SiAMPy nanofibres’ adsorption was best fitted to the Freundlich isotherm. WPET-SiAMPy composite nanofibres were considered highly efficient for Cu2+ adsorption from aqueous solution and could be regenerated at least five times using 5 M H2SO4.


2021 ◽  
Author(s):  
John Simmie

This work documents the properties of a number of isomers of molecular formula C2H5NO from the most stable, acetamide, through 1,2-oxazetidine and including even higher energy species largely of a dipolar nature. Only two of the isomers have been detected in emissions from the interstellar medium (ISM); possible further candidates are identifi�ed and the likelihood of their being detectable are considered. In general hardly any of these compounds have featured in the existing chemical literature so this work represents an important contribution extending the canon of chemical bonding which can contribute to machine-learning | providing a more exacting test of AI applications. The presence of acetamide, CH3C(O)NH2, is the subject of current debate with no clear and obvious paths to its formation; it is shown that a 1,3[H]-transfer from (E,Z ) ethanimidic acid, CH3C(OH){{NH, is feasible in spite of an energy barrier of 130 kJ/mol. It is speculated that the imidic acid can itself be formed from abundant precursors, H2O and CH3C{{{N, in an acid-induced, water addition, auto-catalytic reaction on water-ice grains.


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