Journal of the Chilean Chemical Society 2023-09-27T19:46:00+00:00 The Journal of the Chilean Chemical Society Open Journal Systems <p align="justify">The Journal of the Chilean Chemical Society (JCCHEMS) publishes full articles and communications in al fields of chemistry, including borderline areas such as bioorganic, bioinorganic, biochemistry, materials chemistry and other containing experimental, theoretical and applied research results that constitute a contribution to the subject and that have not been published and are not under consideration elsewhere.</p> <p align="justify">The&nbsp;Journal of the Chilean Chemical Society&nbsp;is published every three months, is the scientific publication of the Chilean Chemical Society.</p> <p><strong>Areas of interest of the Journal:</strong> ChemistryArticles published in the&nbsp;<strong>Journal of the Chilean Chemical Society</strong>&nbsp;are indexed or summarized b</p> <ul> <li class="show">Chemistry Citation Index&nbsp;</li> <li class="show">SCI Search&nbsp;</li> <li class="show">Research Contents&nbsp;</li> <li class="show">Physical, Chemical &amp; Earth Science&nbsp;</li> <li class="show">Scielo&nbsp;</li> </ul> <p align="center">&nbsp;</p> <p align="center">&nbsp;</p> <p align="center"><img src="/public/site/images/david/64-2.jpg" alt=""></p> IN-VIVO AND IN-SILICO ANALYSIS OF ANTI- INFLAMMATORY, ANALGESIC, AND ANTI PYRETIC ACTIVITIES OF CITRUS PARADISI LEAF EXTRACT 2023-08-22T23:18:56+00:00 Naureen Zahra Tahira Fareed Muhammad Hamza Basit Zeeshan Abid Sarwar Tari Aziz Metab Alharbi Abdulrahman Alshammari <p>Medicinal plants recently gained attention due to the presence of many phytochemicals involved in various therapeutical activities. The main aim of this study was to determine the <em>in-vivo</em> and <em>in-silico</em> anti-inflammatory, analgesic, and anti-pyretic effects of <em>Citrus paradisi</em> leaf ethanolic extract using albino rats (n = 36). For inducing inflammation, pain, and fever in albino rat’s carrageenan, acetic acid dilution in distilled water and yeast dilution in saline were used. The four different concentrations (50, 100, 200, and 400mg/kg) of ethanolic extract of <em>Citrus paradisi</em> leaf were used to prevent inflammation, pain, and fever. Diclofenac and paracetamol were used as standard drugs in this study. The ethanolic extract of <em>Citrus paradisi</em> leaf showed efficient anti-pyretic and anti-inflammatory inhibition (90% and 80%, respectively) but less efficient analgesic inhibition (36%). Similarly, <em>in-silico</em> study was done using leaf bioactive compounds such as linalool, beta-pinene, geraniol, citral, and terpinene-4-ol as ligand molecules and proteins for anti-inflammatory, analgesic, and anti-pyretic activity were PTGS2, TRPV4, and TLR2, respectively. The process of docking was done using ligand and protein molecules. The results of <em>in-silico</em> study were the same as <em>in-vivo</em> study; the binding energy values of anti-inflammatory and anti-pyretic activity were more efficient than an analgesic. In summary, the ethanolic extract of <em>Citrus paradisi</em> leaf in <em>in-silico</em> and <em>in-vivo</em> studies&nbsp; proved less efficient against pain while more efficient against inflammation and fever.</p> <p><img src="/public/site/images/carlos/2335.JPG"></p> 2023-08-22T21:15:29+00:00 Copyright (c) 2023 SChQ EFFECT OF PROCESSING AND PRESERVATION METHODS ON TOTAL PHENOLIC CONTENTS AND ANTIOXIDANT ACTIVITIES OF GARLIC (ALLIUM SATIVUM) 2023-08-22T23:18:56+00:00 MAHER AL-DABBAS KHOLOUD JOUDEH MAHMOUD ABUGHOUSH Sam Salih Al-Dalali <p>Garlic (<em>Allium sativum L</em>.) is one of the most commonly produced vegetables worldwide. It has been consumed as a species and is considered important medicine for treating and preventing many diseases due to its content of various bioactive phytomolecules. This study aimed to assess the effect of different processing and preservation methods, including pickling, frying, freezing, and drying, on total phenolics and antioxidant activities of ethanolic extracts of garlic. Total phenolics, flavonoids, and antioxidant activities of dehydrated, pickled, and fried garlic were measured directly after treatment, and frozen garlic was assessed after 1 and 3 months of storage. Results showed that the total flavonoids and phenolics contents, and antioxidant activities of all treated samples significantly decreased compared with fresh sample. Phenolic contents strongly correlated with DPPH radical scavenging activities (r=0.956) at a concentration of 40 mg/mL for all treatments. The reducing power activity result of fresh garlic sample at a concentration of 20 mg/mL was 213.9% (30µg vitamin c equivalent); other treatments were shown to have significantly lower reducing power activities than fresh samples. Flavonoid contents showed a strong correlation with reducing power activities (r=0.759) at a concentration of 40 mg/mL for all treatments, while in phenolic contents, the correlation (r) was 0.94 at the same concentration. It can be concluded that fresh garlic showed the highest reducing power activities compared to the other treatments, while lowest activity was for dehydrated garlic. In addition, freezing process resulted in the highest preservation of the total flavonoid and phenolic contents and antioxidant activities.</p> <p><img src="/public/site/images/carlos/2246.JPG"></p> 2023-08-22T21:16:22+00:00 Copyright (c) 2023 SChQ RISK ASSESSMENT OF TRACE METAL CONCENTRATIONS IN SEDIMENTS OF THE MAIPO RIVER BASIN AND ITS RELATIONHIP WITH BIACUMULATION IN BENTHIC ORGANIM 2023-09-27T19:46:00+00:00 Sylvia Violeta Copaja Gigliola Muñoz David Véliz Caren Vega-Retter <p><strong>ABSTRACT</strong></p> <p>Trace elements in aquatic ecosystems are considered as major pollutants due to their environmental persistence, toxicity and ability to be incorporated into food webs. &nbsp;Contaminated sediments represent a threat to benthic macroinvertebrates which in turn expose high trophic organisms to hazardous trace elements, therefore metals accumulated in benthic organisms can also be bio concentrated in food webs. Direct toxic effects of metals include changes in diversity and abundance of benthic invertebrates while, indirect effects include modifications of species interactions and reductions in food quality. In this work, we study the potentially toxic metal concentrations in both sediments and benthic macroinvertebrates in the Maipo River basin (central Chile) evaluating the risk assessment of sediment, toxicity to the biota and bioaccumulation in the organisms.</p> <p>&nbsp;Sediments and benthic organisms were sampled in spring (October-December) 2016 from four sites of the Maipo River basin. Twelve trace elements (As, Al, Cd, Cu, Cr, Hg, Fe, Mn, Mo, Ni, Pb and Zn) were determined by AAE. The Geo accumulation index showed that Zn was moderate to strong pollute in all sites and the enrichment factor showed that there were no important anthropic impacts in the river. High level of contamination was found for Cu in PEL and the pollution index showed that PEL was extremely polluted. Three (Cu, Mn and Zn) out of the five metals analyzed were the elements which presented the largest toxicity to organisms in these aquatic systems based on the Threshold Effect Concentration (TEC) and Probable Effect Concentration (PEC) analysis. Most of the metals analyzed did not show bioaccumulation; however, Ni and Pb were the metals with the highest bioaccumulation factor in all the studied sites.</p> <p><strong>Key words</strong>: sediments, benthic organism, Enrichment Factor, Geo accumulation index, sediments toxicity TEC and PEC, bioaccumulation, Trace elements, EAA</p> <p><img src="/public/site/images/carlos/2290.JPG"></p> <p><em>&nbsp;</em></p> 2023-08-22T21:17:10+00:00 Copyright (c) 2023 SChQ DEVELOPMENT AND OPTIMIZATION OF TERIFLUNOMIDE-LOADED CHONDROITIN SULPHATE-COATED NANOSTRUCTURED LIPID CARRIERS (NLCs) THROUGH BOX BEHNKEN DESIGN 2023-08-22T23:18:56+00:00 Cristobal Campos Pablo Torres-Vergara Ricardo Godoy Cristina Riquelme Noemí Arellano Rocío Chavez-Santoscoy Isabel Herbas-Goitía Carolina Gómez-Gaete <p>Rheumatoid arthritis (RA) is an autoimmune chronic disease characterized by disabling pain and deformity of the joints. Teriflunomide (TFM), a metabolite from leflunomide, is given orally to RA patients, but its gastrointestinal and systemic side effects are severe and not well tolerated. This study aims to optimize and develop nanostructured lipid carriers (NLC) loaded with teriflunomide (NLC-TFM).&nbsp; NLCs were developed by homogenization and ultrasound. The optimization parameters were achieved through a Box-Behnken experimental design. The optimized NLC-TFM were also coated with chondroitin sulfate (NLC-TFM-CHS) to enhance its interaction with target tissues and shift its focus to intra-articular administration. Both formulations were characterized in their morphology, particle size (PS), Zeta potential, entrapment efficiency (EE%), drug loading (DL%), molecular interactions and <em>in vitro</em> release kinetics.&nbsp; The developed NLC-TFM and NLC-TFM-CHS exhibited a spherical morphology, Zeta potential lower than -30 mV, mean PS of 178.6-211 nm, EE% of 85.95-65.78 % and DL% of 3.97-2.97%, respectively. Thermal and crystalline behavior analyses suggested that TFM is dissolved within the lipidic matrix. The release of TFM showed a biphasic pattern, with an initial burst release followed by a sustained release, being the latter more marked in NLC-TFM-CHS. The developed formulations show promise as delivery systems for targeted therapy of RA through intra-articular administration.</p> <p><img src="/public/site/images/carlos/2360.JPG"></p> 2023-08-22T21:17:59+00:00 Copyright (c) 2023 SChQ INSIGHTS FROM DIFFERENTIAL SCANNING CALORIMETRY AND CYCLIC VOLTAMMETRY ANALYSES: STUDIES OF THE SYNERGISTIC EFFECT OF TWO DIFFERENT METALLOCENES ON THE MAIN OXIDIZING AGENT FOR SOLID ROCKET MOTOR 2023-08-22T23:18:57+00:00 Cesar Morales Jose Gaete Claudio Osorio-Gutierrez David Moreno da Costa Yuvaraja Dibdalli <p><strong>ABSTRACT: </strong></p> <p>To understand the synergistic catalytic effect on the thermal degradation of Ammonium Perchlorate (AP) when the metal fragments are in the same molecule or not, we compared three reported compounds: [(Cp*)<sub>2</sub>Ni] (<strong>1</strong>), [(Cp*)<sub>2</sub>Ru] (<strong>2</strong>), and [Cp*Ni-s-Ic’-RuCp*] (<strong>3</strong>), as potential burning rate catalysts. We conducted a differential scanning calorimetry (DSC) analysis of compound (<strong>3</strong>), which showed an increase in the high-temperature decomposition (HTD) of AP to 418 ºC and a decrease in the energy release to 938 J·g<sup>-1</sup>. These results were compared to those of the different metallocenes, namely (<strong>1</strong>) (HTD: 434 ºC and 1300 J·g<sup>-1</sup>), (<strong>2</strong>) (HTD: 361 ºC and 1828 J·g<sup>-1</sup>), and the mixture of (<strong>1+2</strong>) (HTD: 354 ºC and 2054 J·g<sup>-1</sup>). Our results suggest that the mixture of metallocenes is a suitable and competitive alternative to be used as an enhancer of solid composite propellants. In addition, cyclic voltammetry is used to investigate the electrochemical processes of compounds (<strong>1</strong>), (<strong>2</strong>), and (<strong>3</strong>). The electrochemically active species exhibit noteworthy oxidation peaks, revealing electronic communication between the three different compounds in the cases of (<strong>1</strong>), (<strong>2</strong>), and (<strong>3</strong>), as evidenced by the results obtained from the analysis.</p> <p><img src="/public/site/images/carlos/2338.JPG"></p> 2023-08-22T21:20:47+00:00 Copyright (c) 2023 SChQ ANTIOXIDANT CAPACITY OF CARBOLINE INCLUSION COMPLEXES WITH mβCD y βCD 2023-08-22T23:18:57+00:00 José Muñoz - Espinoza Germán Barriga <p>In the present study, the thermodynamic aspects and reactivity of a compound derived from Carboline (7-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-βcarboline-3-carboxylic acid) when it forms inclusion complexes with βCD and mβCD were described. For this purpose, computational modeling and tools such as Molecular Docking for obtaining the inclusion complex, Second Order Perturbative Analysis (E2PERT) and ONIOM2 (DFT/PM6) for thermodynamic analysis, interactions and reactivity were employed. As a result, it was obtained that the inclusion complexes are viable and stable in the modeled conditions (gas phase, 1 atm and 298K), but not spontaneous. For the process to be spontaneous and viable, the solvent effect and the desolvation of the hydrophobic cavity of the cyclodextrins were considered. On the other hand, the non-covalent interactions were described from the E2PERT analysis, where Hydrogen interactions are shown as donations and acceptance of Lewis and Non-Lewis orbitals. Finally, the global and local reactivity indices show that the ligand presents antioxidant activity of the SET and HAT type in the presence of the OH∙ radical, increasing this tendency when the compound forms inclusion complexes.</p> <p><img src="/public/site/images/carlos/2349.JPG"></p> 2023-08-22T21:24:46+00:00 Copyright (c) 2023 SChQ SYNTHESIS AND CHARACTERIZATION OF SILVER NANOPARTICLES MEDIATED BY THE MENTHA PIPERITA LEAVES EXTRACT AND EXPLORATION OF ITS ANTIMICROBIAL ACTIVITIES 2023-08-22T23:18:57+00:00 Zawar Hussain Muhammad Jahangeer Abid Sarwar Najeeb Ullah Metab Alharbi Tariq Aziz Abdulrahman Alshammari <p>Medicinal use of nanotechnology included a significant contribution from the antibacterial activity of biologically produced silver nanoparticles (AgNPs). Scientists investigated an efficient and environmentally friendly way to make silver nanoparticles by extracting <em>Mentha piperita</em> leaves as well as using their antimicrobial properties. Green synthesis method was used to produce AgNps from extract of mint plant and characterization was done by XRD, SEM and UV Visible Spectroscopy. A peak at 440 nm, which corresponds to the plasmon absorbance of silver nanoparticles, was evident in the UV-visible spectra of the solution containing AgNPs. Scanning electron microscopy observed that the nanoparticles were spherical in shape and ranged in size from 20 to 50 nm. The planes (111), (200), and (220) were found using the XRD patterns and value 0f 2θ:&nbsp; 38.5<sup>0</sup>, 46.3<sup>0</sup> and 64.7<sup>0</sup> are observed. The silver nanoparticle's existence was verified by the face-centered cubic (FCC). Silver nanoparticles were found to have antibacterial efficacy against both gram-positive Staphylococcus and gram-negative bacteria such <em>Pseudomonas aeruginosa,&nbsp;Klebsiella Aerogenes, Salmonella,</em> <em>Staphylococcus </em>and<em> E. coli. </em>The antibacterial activity of silver nanoparticles against bacterial strains&nbsp;were observed using the agar well diffusion (AWD) method at three different concentrations (100µgml<sup>-1</sup>, 75 µgml<sup>-1</sup>, and 50 µgml<sup>-1</sup>). The zone of inhibition measured against the bacterial strains<em> pseudomonas Aeruginosa,</em><em> Klebsiella aerogenes,</em><em> E. coli,</em><em> Salmonella </em>and<em> Staphylococcus</em> which were (18.7±1.25mm, 16.5±0.74mm, 14.0±1.25mm), (16.3±0.96mm, 14.5±0.76mm, 14.0±1.15mm), (16±0.76mm, 14.4±0.66mm, 14.0±1.15mm), (16.5±0.67mm, 14.5±0.23mm, 12.6±0.78mm) and (110.2±0.68mm, 8.8±0.20mm, 7.0±0.15mm). These nanoparticles' potent antibacterial properties may enable them to be employed as nanomedicines for a variety of gram-negative bacterial illness treatments.</p> 2023-08-22T21:25:53+00:00 Copyright (c) 2023 SChQ ISOLATED LIGNANS OF ARAUCARIA ARAUCANA (MOLINA) K. KOCH PROVIDE WOOD PROTECTION AGAINST ATTACK BY THE XYLOPHAGOUS FUNGUS PLEUROTUS OSTREATUS (JACQ.) P. KUMM 2023-08-22T23:18:57+00:00 Gaston Bravo Solange Torres Claudia Perez Mariela Gonzalez-Ramirez Fabian Figueroa Gustavo Cabrera-Barjas Mario Aranda Antonio Tiezzi Jose Gavin Cristian Paz Jose Becerra <p><em>Araucaria araucana</em> (Molina) K. Koch is an evergreen conifer endemic to Southern Chile and it is considered a sacred tree by the originary people Pehuenche. <em>A. araucana</em> is endangered in the red book. The knots wood of <em>A. araucana</em> are resistant to biological degradation, due to producing a high amount of lignans, even after the decomposition of the tree is possible to find its knots in the forest. In the present study the chemical composition of three wood tissue of <em>A. araucana</em>; knotwood, stemwood, and branches were analyzed by HPTLC-MS, GC-MS, and NMR. Three lignans were purified and identified as eudesmin (1), ((1<em>S</em>,2<em>R</em>,3<em>R</em>) 1,2,3,4-tetrahydrona phthalene-2,3-diyl) dimethanol (2) and secoisolarisiresinol (3). Folin-Ciocalteu, DPPH and resistance to biodegradation assays were evaluated to extracts from compressed wood zones. Eudesmin was identified as the principal lignan in knots with a 0.5%<em><sup>w</sup></em>/<em><sub>w</sub></em> and outperformed the fungicide Nipacide® P511 in protecting wood against xylophage fungi <em>Pleurotus ostreatus </em>(Jacq.) P. Kumm.</p> <p>&nbsp;</p> <p><img src="/public/site/images/carlos/2334.JPG"></p> 2023-08-22T21:26:46+00:00 Copyright (c) 2023 SChQ ISOLATION, STRUCTURE ELUCIDATION & ANTIDIABETIC POTENTIAL OF ROSA BRUNONII L. FRUIT – FIGHT DIABETES WITH NATURAL REMEDIES 2023-08-22T23:18:57+00:00 Ejaz Ahmad Muhammad Jahangeer Nadeem Irfan Bukhari Abid Sarwar Tariq Aziz Metab Alharbi Abdulrahman Alshammari Abdullah F. Alasmari Abid Sarwar <p><em>Diabetes mellitus (DM) is a metabolic disorder that is marked by high blood glucose levels. Members of the Rosaceae family are a good source of antioxidants. Therefore, the current work sought to examine the potential for in-vitro alpha-amylase and alpha-glucosidase inhibition and the antidiabetic activity of Rosa brunonii L. fruit chloroform extract (RBFCE) against Alloxan (ALXN) induced diabetes in rats. RBFCE concentrations ranging from 20, 50, 100, 250, 500, and 750 g/mL were used in in-vitro activities, while oral doses of 500 mg/kg, 750 mg/kg, and 1000 mg/kg were given to rats in an in-vivo trial for 21 days.&nbsp;Isolation was carried out through column chromatography and </em>modern spectroscopic techniques were used for characterization and structure elucidation. The isolated compound was identified as catechin. For alpha-amylase and alpha-glucosidase inhibition activity, RBFCE had IC<sub>50</sub> values of 322.06±17.40 and 248.93±1.62, respectively. The IC<sub>50</sub> values for acarbose against alpha-amylase and alpha-glucosidase inhibition were 64.64±3.70 and 67.60±4.20, respectively. RBFCE treatment regulated blood glucose levels dose-dependently over a 21-day study period. Histopathological studies revealed that RBFCE has recovered the damaged acinar structures to some extent in pancreatic tissue. Only focal tissue destruction observed. RBFCE treatment displayed normal glomeruli with no signs of inflammation, proliferation, necrosis, cipher of thyroidization and fibrosis. All the extract-treated groups had more protected pancreatic and kidney tissue than control group in dose-dependent manner. The current study results revealed that RBFCE had prominent alpha-amylase and alpha-glucosidase inhibition activity, regulates blood glucose level and normalize histopathological markers in diabetic rats compared to the negative control group.</p> <p>&nbsp;</p> <p><img src="/public/site/images/carlos/2355.JPG"></p> 2023-08-22T21:28:26+00:00 Copyright (c) 2023 SChQ A REVIEW OF FLUORIDE REMOVAL FROM GROUND WATER BY VARIOUS ADSORPTION TECHNIQUES 2023-08-22T23:18:57+00:00 Margandan K Karunanithi Rachna Kushal Qanungo <p>This paper reviews a number of fluoride's negative consequences on human health. Due to the high concentration of fluoride in the ground water, the majority of the arid and semiarid regions of the Indian subcontinent are severely afflicted by the fluorosis problem. The groundwater becomes fluoridated as a result of fluoride leaching from the fluoride-bearing rocks. A thorough analysis of the various methods for removing fluoride, including the Nalgonda process, bone charcoal, contact precipitation, clay column, electro-dialysis, ion-exchange, and by activated alumina, is then provided.</p> <p>&nbsp;</p> <p><img src="/public/site/images/carlos/2368.JPG"></p> 2023-08-22T21:18:45+00:00 Copyright (c) 2023 SChQ INSIGHTFUL REVIEW OF BIOHERBICIDES DERIVED FROM PLANTS (PHYTO-HERBICIDES) 2023-08-22T23:18:57+00:00 Soumya Ghosh <p>Weed control during crop cultivation with integrated management remains a challenge. Bioherbicides such as plant extracts, allelochemicals, and microbes, are alternatives for weed control in sustainable agriculture. There are a few studies on the physiological influence of plant and microbial biopesticides on the germination and growth of weeds. Weed seed germination or growth is hindered when plant metabolites or extracts are absorbed, damaging the cell membrane, DNA, mitosis, amylase activity, and other biochemical processes. Weed growth is slowed by decreased rates of root-cell division, food absorption, photosynthetic pigment synthesis, and plant growth hormone synthesis, while the production of reactive oxygen species, stress-mediated hormones, and erratic antioxidant activity is increased. Bacterially produced lytic enzymes and toxins degrade the endosperm and utilize it for survival, preventing the growth of weed seeds.</p> <p>Forty-six plant species were assessed as phytoherbicides against 43 weeds<strong>, </strong>belonging to 19 families and 42 genera. Lamiaceae was the most represented family (21.7%) due to their volatile oils and phytotoxic substances, which eliminate weed growth. <em>Thymus</em>, <em>Eucalyptus</em> and <em>Pinus</em> were the most represented genera. Thirteen species’ oils (38 %) and 21 species’ extracts (62 %) were used as herbicides. This review provides an overview of the physiological alterations on undesired weeds by using phytoherbicides, which is of the least studied eco herbicides, for sustainable agriculture outlined in the Sustainable Development Strategy 2030.</p> <p><img src="/public/site/images/carlos/2346.JPG"></p> 2023-08-22T21:19:58+00:00 Copyright (c) 2023 SChQ POLYMERS RECYCLING: UPCYCLING TECHNIQUES. AN OVERVIEW 2023-08-22T23:18:57+00:00 Martina Zúñiga D Francisca L. Aranda Bernabe L Rivas <p style="font-weight: 400;">Since 1950 plastics became the materials of greatest world production. Thus, in recent years the increase in the use of different types of plastics has been a matter of global concern due to the depletion of fossil fuels and the accumulation of waste in the different environmental matrices, affecting the ecosystem. By 2015, 4.9 million metric tons of plastic waste were recorded in landfills, because more than 40% of the plastics produced are designed for single use. The mass amount of plastic is estimated to exceed 450 million tonnes per year and will double by 2045.</p> <p style="font-weight: 400;">Due to the great problem of plastics and their threats to the ecosystem, the researchers worked on a large number of technologies to mitigate the effect of plastics on the different environmental matrices. Therefore, the main goal of this manuscript is summarizes on the plastics more used as well as the most common techniques to reduce their presence at the environment.&nbsp;</p> <p style="font-weight: 400;"><img src="/public/site/images/carlos/2435.JPG"></p> 2023-08-22T21:27:27+00:00 Copyright (c) 2023 SChQ