Bioinorganic Chemistry and Applications The latest articles from Hindawi © 2021 , Hindawi Limited . All rights reserved. Green Synthesis of Silver Nanoparticles from the Extracts of Fruit Peel of Citrus tangerina, Citrus sinensis, and Citrus limon for Antibacterial Activities Tue, 02 Feb 2021 06:50:02 +0000 Wide application of nanoparticles motivates the need for synthesising them. Here, a nontoxic, eco-friendly, and cost-effective method has been established for the synthesis of silver nanoparticles using extracts of lemon peel (Citrus limon), green orange peel (Citrus sinensis), and orange peel (Citrus tangerina). The synthesised nanoparticles have been characterised using UV-visible absorptionspectroscopy, Fourier transform infrared spectroscopy, and transmission electron microscopy (TEM). The UV-visible absorption spectrum of these synthesised silver nanoparticles shows an absorption peak at around 440 nm. TEM images show different shaped particles with various sizes. Furthermore, the antibacterial activity of silver nanoparticles was appraised by a well-diffusion method and it was observed that the green synthesised silver nanoparticles have an effective antibacterial activity against Escherichia coli and Staphylococcus aureus. The outcome of this study could be beneficial for nanotechnology-based biomedical applications. Moira Carmalita Dharsika Niluxsshun, Koneswaran Masilamani, and Umaramani Mathiventhan Copyright © 2021 Moira Carmalita Dharsika Niluxsshun et al. All rights reserved. Retracted: DNA Binding and Photocleavage Studies of Cobalt(III) Polypyridine Complexes: [Co(en)2PIP]3+, [Co(en)2IP]3+, and [Co(en)2phen-dione]3+ Tue, 19 Jan 2021 16:05:01 +0000 Bioinorganic Chemistry and Applications Copyright © 2021 Bioinorganic Chemistry and Applications. All rights reserved. Origin of the MRI Contrast in Natural and Hydrogel Formulation of Pineapple Juice Tue, 05 Jan 2021 06:35:01 +0000 Magnetic resonance imaging (MRI) often requires contrast agents to improve the visualization in some tissues and organs, including the gastrointestinal tract. In this latter case, instead of intravascular administration, oral agents can be used. Natural oral contrast agents, such as fruit juice, have the advantages of better taste, tolerability, and lower price with respect to the artificial agents. We have characterized the relaxometry profiles of pineapple juice in order to understand the origin of the increase in relaxation rates (and thus of the MRI contrast) in reference to its content of manganese ions. Furthermore, we have characterized the relaxometry profiles of pineapple juice in the presence of alginate in different amounts; the interaction of the manganese ions with alginate slows down their reorientation time to some extent, with a subsequent increase in the relaxation rates. The relaxometry profiles were also compared with those of manganese(II) solutions in 50 mmol/dm3 sodium acetate solution (same pH of pineapple juice), which revealed sizable differences, mostly in the number of water molecules coordinated to the metal ion, their lifetimes, and in the constant of the Fermi-contact interaction. Finally, the fit of the transverse relaxivity shows that the increased viscosity in the hydrogel formulations can improve significantly the negative contrast of pineapple juice at the magnetic fields relevant for clinical MRI. Domenico Rizzo, Enrico Ravera, Marco Fragai, Giacomo Parigi, and Claudio Luchinat Copyright © 2021 Domenico Rizzo et al. All rights reserved. Novel Gallium(III), Germanium(IV), and Hafnium(IV) Folate Complexes and Their Spectroscopic, Thermal Decomposition, Morphological, and Biological Characteristics Mon, 21 Dec 2020 13:50:01 +0000 In this study, we describe novel gallium(III), germanium(IV), and hafnium(IV) folate complexes, including their synthesis and analyses. The synthesized folate complexes were also subject to thermal analysis (TGA) to better examine their thermal degradation and kinetic properties. The folate complexes had high stability and were nonspontaneous. The Coats–Redfern and Horowitz–Metzger equations were used to determine thermodynamic parameters and describe the kinetic properties. These complexes were synthesized through the chemical interactions in neutralized media between the folic acid drug ligand (FAH2) with GaCl3, GeCl4, and HfCl4 metal salts at 1 : 2 (metal : ligand) molar ratio. The conductance measurements have low values due to their nonelectrolytic behavior. The X-ray powder diffraction solid powder pattern revealed a semicrystalline nature. In vitro, we screened the synthesized folate chelates for antibacterial and antifungal activities. The inhibition of four bacterial and two fungi pathogens (E. coli, B. subtilis, P. aeruginosa, S. aureus, A. flavus, and Candida albicans) was improved using a folic acid drug relative to the control drug. Abeer A. El-Habeeb Copyright © 2020 Abeer A. El-Habeeb. All rights reserved. Atmospheric Corrosion, Antibacterial Properties, and Toxicity of Silver Nanoparticles Synthesized by Two Different Routes Thu, 10 Dec 2020 14:20:01 +0000 Silver nanoparticles (AgNPs) have been widely employed or incorporated into different materials in biological application, due to their antibacterial properties. Therefore, antimicrobial capacity and cytotoxicity have been highly studied. However, most of these reports do not consider the possible corrosion of the nanomaterials during their exposure to atmospheric conditions since AgNPs undergo a transformation when they come in contact with a particular environment. Derived from this, the functionality and properties of the nanoparticles could decrease noticeably. The most common silver corrosion process occurs by the interaction of AgNPs with sulfur species (H2S) present in the atmospheric air, forming a corrosion layer of silver sulfide around the AgNPs, thus inhibiting the release of the ions responsible for the antimicrobial activity. In this work, AgNPs were synthesized using two different methods: one of them was based on a plant extract (Brickellia cavanillesii), and the other one is the well-known method using sodium borohydride (NaBH4). Chemical stability, corrosion, antibacterial activity, and toxic activity were evaluated for both sets of prepared samples, before and after exposition to atmospheric air for three months. The structural characterization of the samples, in terms of crystallinity, chemical composition, and morphology, evidenced the formation of link structures with nanobridges of Ag2S for non- “green” AgNPs after the air exposition and the intact preservation of silver core for the “green” sample. The antibacterial activity showed a clear improvement in the antimicrobial properties of silver in relation to the “green” functionalization, particle size control, and size reduction, as well as the preservation of the properties after air exposition by the effective “green” protection. The cytotoxicity effect of the different AgNPs against mononuclear cells showed a notable increment in the cell viability by the “green” functionalization. I. DeAlba-Montero, Claudio A. Ruiz-Torres, Diana P. Portales-Pérez, Fidel Martínez-Gutierrez, Félix Echeverría, Martha E. Compeán-Jasso, Yolanda G. Cataño-Cañizales, and Facundo Ruiz Copyright © 2020 I. DeAlba-Montero et al. All rights reserved. Synthesis and Characterization of Green Zinc Oxide Nanoparticles with Antiproliferative Effects through Apoptosis Induction and MicroRNA Modulation in Breast Cancer Cells Fri, 20 Nov 2020 14:05:03 +0000 Changes in the expression of microRNAs can affect cancer cells’ viability and behavior and the impact on cancer treatment. In this study, the expression of miR-155-5p, miR-203a-3p, and miR-223-3p in the MCF7 cancer cell line was studied when exposed to ZnO nanoparticles synthesized through a green route. Mentioned ZnO-NPs were well characterized by UV-vis spectroscopy, DLS, XRD, FTIR, FE-SEM, EDX, zeta potential, and AFM analyses. Cellular studies were conducted using ZnO-NPs before miRNA investigations including MTT cytotoxicity test against MCF7, MDA-MB-231, and HFF cell lines. Moreover, apoptosis assays were performed using morphological analysis, fluorescent dyes, flow cytometry, and evaluation of caspase-3 and caspase-8 gene expression. Biological properties such as the antioxidant and antimicrobial activity of these novel ZnO-NPs were considered. MTT assays showed that the inhibitory concentration (IC50) of ZnO-NPs after 24 h was 11.16 μg/mL, 60.08 μg/mL, and 26.3 μg/mL on MCF7, MDA-MB-231, and HFF cells, respectively. The qRT-PCR results showed reduced expression of miR-155-5p, miR-203a-3p, and miR-223-3p when the MCF7 cells were treated with the IC50 concentration of ZnO-NPs (11.16 μg/mL). The antioxidant activity results showed EC50 values at 57.19 μg/mL and 31.5 μg/mL in DPPH and ABTS assays, respectively. The antimicrobial activity of ZnO-NPs was determined on Gram-negative and Gram-positive bacterial strains and fungi using MIC and MBC assays. These NPs had a significant effect in reducing the expression of microRNAs in breast cancer cells. Finally, ZnO-NPs exerted antioxidant and antimicrobial activities. Amir Hossein Aalami, Mohammad Mesgari, and Amirhossein Sahebkar Copyright © 2020 Amir Hossein Aalami et al. All rights reserved. Synthesis and Biological Evaluation of Novel Zn(II) and Cd(II) Schiff Base Complexes as Antimicrobial, Antifungal, and Antioxidant Agents Thu, 19 Nov 2020 13:05:01 +0000 (E)-N,N-Dimethyl-2-((E-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (DMPTHP) and their Zn(II) and Cd(II) complexes have been synthesized and characterized. Different tools of analysis such as elemental analyses, IR, mass spectra, and 1H-NMR measurements were used to elucidate the structure of the synthesized compounds. According to these spectral results, the DMPTHP ligand behaved as a mononegatively charged tridentate anion. Modeling and docking studies were investigated and discussed. Novel Schiff base (DMPTHP) ligand protonation constants and their formation constants with Cd(II) and Zn(II) ions were measured in 50% DMSO solution at 15°C, 25°C, and 35°C at I = 0.1 mol·dm−3 NaNO3. The solution speciation of different species was measured in accordance with pH. Calculation and discussion of the thermodynamic parameters were achieved. Both log K1 and –ΔH1, for M(II)-thiosemicarbazone complexes were found to be somewhat larger than log K2 and –ΔH2, demonstrating a shift in the dentate character of DMPTHP from tridentate in 1 : 1 chelates to bidentate in 1 : 2; M : L chelates and steric hindrance were generated by addition of the 2nd molecule. The compounds prepared have significant activity as antioxidants, similar to ascorbic acid. It is hoped that the results will be beneficial to antimicrobial agent chemistry. The formed compounds acted as a potent antibacterial agent. Molecular docking studies were investigated and have proved that DMPTHP as antibacterial agents act on highly resistant strains of E. coli and also as an anticancer agent. Mutlaq S. Aljahdali and Ahmed A. El-Sherif Copyright © 2020 Mutlaq S. Aljahdali and Ahmed A. El-Sherif. All rights reserved. Synthesis of Amino Acid Schiff Base Nickel (II) Complexes as Potential Anticancer Drugs In Vitro Tue, 29 Sep 2020 16:20:01 +0000 Three hexacoordinated octahedral nickel (II) complexes, [Ni (Trp-sal) (phen) (CH3OH)] (1), [Ni (Trp-o-van) (phen) (CH3OH)]•2CH3OH (2), and [Ni (Trp-naph) (phen) (CH3OH)] (3) (where Trp-sal = Schiff base derived from tryptophan and salicylaldehyde, Trp-o-van = Schiff base derived from tryptophan and o-vanillin, Trp-naph = Schiff base derived from tryptophan and 2-hydroxy-1-naphthaldehyde, phen = 1, 10-phenanthroline), have been synthesized and characterized as potential anticancer agents. Details of structural study of these complexes using single-crystal X-ray crystallography showed that distorted octahedral environment around nickel (II) ion has been satisfied by three nitrogen atoms and three oxygen atoms. All these complexes displayed moderate cytotoxicity toward esophageal cancer cell line Eca-109 with the IC50 values of 23.95 ± 2.54 μM for 1, 18.14 ± 2.39 μM for 2, and 21.89 ± 3.19 μM for 3. Antitumor mechanism studies showed that complex 2 can increase the autophagy, reactive oxygen species (ROS) levels, and decrease the mitochondrial membrane potential remarkably in a dose-dependent manner in the Eca-109 cells. Complex 2 can cause cell cycle arrest in the G2/M phase. Additionally, complex 2 can regulate the Bcl-2 family and autophagy-related proteins. Yang Li, Jianfang Dong, Peiran Zhao, Ping Hu, Dawei Yang, Lei Gao, and Lianzhi Li Copyright © 2020 Yang Li et al. All rights reserved. Boswellia dalzielii-Mediated Silver Nanoparticles Inhibited Acute Myeloid Leukemia (AML) Kasumi-1 Cells by Inducing Cell Cycle Arrest Tue, 22 Sep 2020 15:35:02 +0000 Background. Acute myeloid leukemia (AML) persists to be a major health problem especially among children as effective chemotherapy to combat the disease is yet to be available. Boswellia dalzielii is a well-known herb that is traditionally used for treatment and management of many diseases including degenerative diseases. In this study, silver nanoparticles were synthesized from the phytochemicals of B. dalzielii stem bark aqueous extract. The silver nanoparticles were characterized by carrying out Fourier Transform Infrared (FTIR) spectroscopy, Energy Filtered Scanning Electron Microscopy (FESEM), X-ray diffraction, and Dynamic Light Scattering (DLS) analyses. Antioxidant capacity of the nanoparticles was evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, and the antiproliferative effect of the nanoparticles on Kasumi-1 leukemia cells was investigated using PrestoBlue assay. Flow cytometry analysis was performed to observe the effect of the nanoparticles on the leukemia cell cycle progression. Results. Our findings revealed that the synthesized silver nanoparticles were formed from electrons of the plant phytochemicals which include aromatic compounds, ethers, and alkynes. FESEM analysis revealed that the sizes of the nanoparticles range from 12 nm to 101 nm; however, DLS analysis estimated a larger average size of the nanoparticles (108.3 nm) because it measured the hydrodynamic radii of the nanoparticles. The zeta potential of the nanoparticles was −16 nm, and the XRD pattern of the nanoparticles has distinct peaks at 38.02°, 42.94°, 64.45°, 77.20°, and 81.47°, which is typical of face-centered cubic (fcc) structure of silver. The Trolox Equivalence Antioxidant Capacity (TEAC) of the nanoparticles was estimated to be 300.91 μM Trolox/mg silver nanoparticles. The nanoparticles inhibited Kasumi-1 cell proliferation. The half minimal inhibitory concentrations (IC50s) that inhibited Kasumi-1 cell proliferation are 49.5 μg/ml and 13.25 μg/ml at 48 and 72 hours, respectively. The nanoparticles induced cell cycle arrest in the Kasumi-1 cells at S (5% increase) and G2/M (3% increase) phases. Conclusion. The nanoparticles synthesized from the stem bark extract of B. dalzielii inhibit the growth of Kasumi-1 leukemia cells by activating cell cycle arrest; thus, they are potential antileukemic agents. Ismail Abiola Adebayo, Adamu Ibrahim Usman, Fatimah Bukola Shittu, Noor Zafirah Ismail, Hasni Arsad, Taoheed Kolawole Muftaudeen, and Mohammed Razip Samian Copyright © 2020 Ismail Abiola Adebayo et al. All rights reserved. Sealing Ability of AH Plus and GuttaFlow Bioseal Tue, 22 Sep 2020 14:50:05 +0000 The objective of root canal obturation is to achieve a fluid-tight seal. Recently, GuttaFlow bioseal (GB), a root canal sealer composed of polydimethylsiloxane, gutta-percha particles, and bioactive glass ceramics, has been developed, to enhance the sealing ability of root canal filling material. The objective of this study was to assess the sealing ability of GB using a subnanoliter-scaled fluid-flow measuring device and to compare with that of AH Plus (AH). The fluid flow in root canal-filled teeth using either gutta-percha cone (GP) with AH (GAR; n = 10) or GP with GB (GBR; n = 10) and in GP inserted in AH blocks (GA; n = 10) or GP inserted in GB blocks (GB; n = 10) was measured. In addition, fluid flow in sealer blocks of AH (A; n = 10) and GB (B; n = 10), which served as negative controls, was measured. Root canal-filled teeth using GP without any sealer (GR) acted as positive controls (n = 10). The leakage was obtained by calculating the volume of moved water by time (s), after stabilization of the fluid flow was achieved. Statistical analysis was performed using the Kruskal–Wallis test and Mann–Whitney U-test with Bonferroni correction. A value less than 0.00238 (0.05/21) was considered significantly different. The mean leakages (nL/s) in the groups are as follows: GAR, 0.0958 ± 0.0543; GBR, 0.0223 ± 0.0246; GA, 0.0644 ± 0.0803; GB, 0.0267 ± 0.0182; A, 0.0055 ± 0.0057; B, 0.0052 ± 0.005; and GR, 0.2892 ± 0.3018. The mean leakage in the GBR group was lower than that in the GAR group ( = 0.001), while the mean leakages in the GA and GB groups were not significantly different. GuttaFlow bioseal can be useful in single-cone obturation technique. Soo-Hyuk Lee, Soram Oh, Adel Saeed Al-Ghamdi, Ayman Omar Mandorah, Kee-Yeon Kum, and Seok Woo Chang Copyright © 2020 Soo-Hyuk Lee et al. All rights reserved. Synthesis, Crystal Structures, and Antimicrobial and Antitumor Studies of Two Zinc(II) Complexes with Pyridine Thiazole Derivatives Tue, 15 Sep 2020 12:50:02 +0000 Two pyridine thiazole derivatives, namely, 4-(pyridin-2-yl)-2-(2-(pyridin-2-ylmethylene)hydrazinyl)thiazole (L1) and 4-(pyridin-3-yl)-2-(2-(pyridin-4-ylmethylene)hydrazinyl)thiazole (L2), were afforded by a cyclization reaction between α-haloketone and thioamide, and their Zn(II) complexes were prepared by the reaction of ligands and corresponding metal salts, respectively, and characterized by X-ray diffraction and elemental analysis. Both crystals were obtained by ether diffusion and crystallized in a monoclinic system. The in vitro antimicrobial activity of the Zn(II) complexes and ligands was screened using the microplate reader method, and in vitro antitumor activities of the complexes were evaluated by MTT, with a view to developing new improved bioactive materials with novel properties. The biological activity studies of the compounds showed that the metal complexes were more active than the free ligands, and some compounds had absolute specificity for certain bacteria or cancer cell lines. Zou Xun-Zhong, Feng An-Sheng, Zeng Fu-Ran, Lai Min-Cheng, Liao Yan-Zhi, Mei Meng, and Li Yu Copyright © 2020 Zou Xun-Zhong et al. All rights reserved. Glutaraldehyde-Polymerized Hemoglobin: In Search of Improved Performance as Oxygen Carrier in Hemorrhage Models Tue, 01 Sep 2020 03:05:03 +0000 Hemoglobin- (Hb-) based oxygen carriers (HBOC) have for several decades been explored for treatment of hemorrhage. In our previous top-up tests, HBOC with lower in vitro prooxidant reactivity (incorporating a peroxidase or serum albumin to this end) showed a measurable but small improvement of oxidative stress-related parameters. Here, such HBOCs are tested in a hemorrhage set-up; ovine hemoglobin is also tested for the first time in such a setting, based on in vitro data showing its improved performance versus bovine Hb against oxidative and nitrosative stress agents. Indeed, ovine Hb performs better than bovine Hb in terms of survival rates, arterial tension, immunology, and histology. On the other hand, unlike in the top-up models, where the nonheme peroxidase rubrerythrin as well as bovine serum albumin copolymerized with Hb were shown to improve the performance of HBOC, in the present hemorrhage models rubrerythrin fails dramatically as HBOC ingredient (with a distinct immunological reaction), whereas serum albumin appears not feasible if its source is a different species (i.e., bovine serum albumin fares distinctly worse than rat serum albumin, in HBOC transfusions in rats). An effect of the matrix in which the HBOCs are dissolved (PBS versus gelofusine versus plasma) is noted. Anca D. Farcas, Vlad Al Toma, Ioana Roman, Bogdan Sevastre, Florina Scurtu, and Radu Silaghi-Dumitrescu Copyright © 2020 Anca D. Farcas et al. All rights reserved. Effect of Ultrafine Powderization and Solid Dispersion Formation via Hot-Melt Extrusion on Antioxidant, Anti-Inflammatory, and the Human Kv1.3 Channel Inhibitory Activities of Angelica gigas Nakai Tue, 01 Sep 2020 03:05:03 +0000 Angelica gigas Nakai (AGN) was first processed by ultrafine grinding technology and hot-melt extrusion (HME). The potential antioxidant and anti-inflammatory activities of AGN with a different process were compared, and the effect on the human Kv1.3 potassium channel was detected. The process of ultrafine powderization on AGN significantly increased the total phenolic and flavonoid contents, antioxidant activity, and DNA damage protective effect. On the contrary, AGN solid dispersion (AGN-SD) based on Soluplus® showed the highest inhibitory effect on NO production and the human Kv1.3 channel. In addition, AGN-SD inhibited the production of prostaglandin E2 and intracellular reactive oxygen species and the mRNA expression of inducible nitric oxide synthase, cyclooxygenase-2, interleukin 1β, and interleukin 6. Taken together, these results suggest that ultrafine powderization and solid dispersion formation via HME can significantly improve the biological activities of AGN. The results also suggested that ultrafine powderization and HME may be developed and applied in the pharmaceutical industry. Yunyao Jiang, Jingpei Piao, Nan Liu, Jincai Hou, Jianxun Liu, and Weicheng Hu Copyright © 2020 Yunyao Jiang et al. All rights reserved. Determination of Physicochemical Parameters and Levels of Heavy Metals in Food Waste Water with Environmental Effects Thu, 20 Aug 2020 13:35:07 +0000 Bioinorganic chemistry is found as a sizzling field in today’s era. It deals with chemistry amongst the heavy metals with natural resources, i.e., air, soil, water, plant byproducts (foods), and environmental essences. The aim of this research is to determine the concentration of heavy metals present in the food waste water sample and to study the environmental effects of metal ion concentration. To conduct the research work, the physicochemical parameters and levels of five heavy metals of food waste water samples were collected from five sampling points of renowned hotels, restaurants, canteens, and confectionaries of a state of India and assessed using the standard analytical procedure. Sampling was carried out from January 2017 up to December 2017. The physicochemical parameters were determined such as pH, temperature, turbidity, conductivity, total dissolved solids, total suspended solids, total alkalinity, biological oxygen demand, chemical oxygen demand, dissolved oxygen, total organic carbon, sulphate, nitrate, and phosphate. The heavy metal concentration was determined by using the UV-spectrophotometer, and the results were compared with the standards prescribed by the WHO, BIS, ICMR, and municipal authorities. The results obtained in the physicochemical analysis revealed that a few parameters were found beyond limits, and the metal ion concentration (iron and zinc) results were found above the permissible limits set by the CPCB (Central Pollution Control Board), ICMR, BIS, and World Health Organization (WHO), most especially, effluent from point . It was concluded that all the effluents required further treatment before releasing them into the water body or land to prevent pollution. The obtained results reveal that waste water used for irrigation and farming of nearby areas and water drained from restaurant kitchens were considerably polluted and not suitable for aquatic organisms, irrigation, and agricultural purposes. Jingxi Ma, Shuqing Wu, N. V. Ravi Shekhar, Supriya Biswas, and Anoop Kumar Sahu Copyright © 2020 Jingxi Ma et al. All rights reserved. Ru(II) Complexes Bearing O, O-Chelated Ligands Induced Apoptosis in A549 Cells through the Mitochondrial Apoptotic Pathway Mon, 17 Aug 2020 12:05:06 +0000 Two new Ru(II) complexes containing O, O-chelated ligands, Ru(dip)2(SA) (Ru-1) and Ru(dmp)2(SA) (Ru-2) (dip = 4,7-diphenyl-1,10-phenanthroline; dmp = 2,9-dimethyl-1,10-phenanthroline; SA = salicylate) were synthesized to evaluate their cytotoxicity in vitro. These complexes were found to exhibit moderate antitumor activity to different types of human cancers, including A549 (human lung carcinoma), MCF-7 (breast cancer), HeLa (human cervical cancer), and HepG2 (human hepatocellular carcinoma) cell lines, but displayed low toxicity to human normal cell lines BEAS-2B (immortalized human bronchial epithelial cells) when compared with that of cisplatin. Further studies revealed that these complexes could induce apoptosis in A549 cells, including activating caspase family proteins and poly (ADP-ribose) polymerase (PARP), reducing Bcl-2/Bax and Bcl-xl/Bad ratio, enhancing cellular reactive oxygen species (ROS) accumulation, triggering DNA damage, decreasing mitochondrial membrane potential (MMP), and leading cytochrome c release from mitochondria. Notably, complex Ru-1 showed low toxicity to developing zebrafish embryos. The obtained results suggest that these new synthetic complexes have the potential to be developed as low-toxicity agents for lung cancer treatment. Jincan Chen, Jie Wang, Yuanyuan Deng, Tao Wang, Tifang Miao, Chengpeng Li, Xianhong Cai, Ying Liu, Justin Henri, and Lanmei Chen Copyright © 2020 Jincan Chen et al. All rights reserved. Therapeutic Use of Silver Nanoparticles in the Prevention and Arrest of Dental Caries Wed, 12 Aug 2020 13:50:03 +0000 Dental caries is one of the major diseases of the oral cavity affecting humans worldwide. Different alternatives have been used for its control, but its incidence and prevalence are still high. On the other hand, silver has been used for centuries due to its antimicrobial properties. With advances in nanotechnology, the use and research in nanomaterials has increased, recently, and silver nanoparticles have become an essential part of the dental practice, giving materials physical and chemical improvements in their properties, used for their antibacterial capacity preventing and arresting dental caries. The objective of this review was to examine the use of silver nanoparticles, in the treatment of dental caries in the remineralization of teeth hard tissues, as well as the antimicrobial potential, cytotoxicity, and long-term effectiveness. Claudia Butrón Téllez Girón, Juan F. Hernández Sierra, Idania DeAlba‐Montero, María de los A. Urbano Peña, and Facundo Ruiz Copyright © 2020 Claudia Butrón Téllez Girón et al. All rights reserved. Adsorption Ability for Toxic Chromium (VI) Ions in Aqueous Solution of Some Modified Oyster Shell Types Mon, 27 Jul 2020 13:35:06 +0000 In this paper, the chromium, Cr (VI), ion adsorption ability of oyster shell samples collected from two sea regions in Vietnam (Phu Yen province and Quang Ninh province) was investigated and compared. The oyster shell samples were calcined at different temperatures and denatured by using ethylenediaminetetraacetic acid (EDTA). The Cr (VI) ion adsorption ability of the prismatic (PP) and nacreous (NP) shell layers of oysters was also evaluated. The characteristics of oyster shell samples before and after treatment were determined by using analysis methods including XRD, IR, BET, UV-Vis, and FESEM. The Langmuir, Freundlich, Temkin, and Dubinin–Radushkevich models and fit statistic equations were used to study the adsorption isotherms of Cr (VI) ion adsorption by oyster shells. The Cr (VI) ions adsorption kinetic has been set up using four reaction models consisting of first-order, pseudo-first-order, second-order, and pseudo-second-order reaction models. Effects of experimental factors on the Cr (VI) ion adsorption process using oyster shells were also investigated and discussed in this work. Thuy Chinh Nguyen, Xuan Thai Nguyen, Do Mai Trang Tran, Quoc Trung Vu, Van Hai Nguyen, Duy Trinh Nguyen, Minh Thanh Do, Thi Len Nguyen, Thi Ngoc Lien Ly, and Hoang Thai Copyright © 2020 Thuy Chinh Nguyen et al. All rights reserved. Silver Nanoparticle Production by Ruta graveolens and Testing Its Safety, Bioactivity, Immune Modulation, Anticancer, and Insecticidal Potentials Fri, 24 Jul 2020 14:20:08 +0000 Ruta graveolens, a plant belonging to the family Rutaceae, is traditionally used as a medicinal plant and a flavoring agent in food. This work aimed to prepare silver nanoparticles (AgNPs) using the ethanol extract from R. graveolens leaves and test different biological activities as well as insecticidal potentials in the extract and extract prepared AgNPs. Dried and powdered R. graveolens leaves were subjected to extraction using ethanol, and this extract was used to synthesize AgNPs. AgNP synthesis was monitored by the change in color, UV spectrophotometry, and electron microscopy (scanning). Fourier transform infrared (FT-IR) spectroscopy was used to monitor the functional groups in the extracts. Immunological, physiological, anticancer, antibacterial, and insecticidal potentials of the extract and its prepared AgNPs were tested. Results showed the ability of the leaf extract to synthesize. SEM examination revealed a spherical shape of AgNPs with a size of 40–45 nm. The extract contained many functional groups as indicated by FT-IR. The extract alone inhibited the growth of normal rat splenic cells, while the extract containing AgNPs stimulated its growth. Extract alone stimulated HeLa cell proliferation and inhibited HepG2 growth, while both cell line growth was inhibited by the extract containing AgNPs. Both the extract and extract with AgNPs were safe on RBCs and did not cause any severe elevation in liver enzymes. The extract alone and with AgNPs showed insecticidal activity against Culex pipiens. Our findings suggest that the R. graveolens leaf extract, alone or with AgNPs, is biologically safe on animal cells and has antibacterial, insecticidal, and immunomodulation potentials. Hamed A. Ghramh, Essam H. Ibrahim, Mona Kilnay, Zubair Ahmad, Sadeq K. Alhag, Khalid Ali Khan, Ramadan Taha, and Fawziah M. Asiri Copyright © 2020 Hamed A. Ghramh et al. All rights reserved. Dynamic and Static Nature of Br4σ(4c–6e) and Se2Br5σ(7c–10e) in the Selenanthrene System and Related Species Elucidated by QTAIM Dual Functional Analysis with QC Calculations Fri, 24 Jul 2020 07:50:04 +0000 The nature of Br4σ(4c–6e) of the BBr-∗-ABr-∗-ABr-∗-BBr form is elucidated for SeC12H8(Br)SeBr---Br-Br---BrSe(Br)C12H8Se, the selenanthrene system, and the models with QTAIM dual functional analysis (QTAIM-DFA). Asterisks (∗) are employed to emphasize the existence of bond critical points on the interactions in question. Data from the fully optimized structure correspond to the static nature of interactions. In our treatment, data from the perturbed structures, around the fully optimized structure, are employed for the analysis, in addition to those from the fully optimized one, which represent the dynamic nature of interactions. The ABr-∗-ABr and ABr-∗-BBr interactions are predicted to have the CT-TBP (trigonal bipyramidal adduct formation through charge transfer) nature and the typical hydrogen bond nature, respectively. The nature of Se2Br5σ(7c–10e) is also clarified typically, employing an anionic model of [Br-Se(C4H4Se)-Br---Br---Br-Se(C4H4Se)-Br]−, the 1,4-diselenin system, rather than (BrSeC12H8)Br---Se---Br-Br---Br-Se(C12H8Se)-Br, the selenanthrene system. Satoko Hayashi, Taro Nishide, and Waro Nakanishi Copyright © 2020 Satoko Hayashi et al. All rights reserved. Antimicrobial Activity and DNA/BSA Binding Affinity of Polynuclear Silver(I) Complexes with 1,2-Bis(4-pyridyl)ethane/ethene as Bridging Ligands Tue, 14 Apr 2020 10:05:03 +0000 1,2-Bis(4-pyridyl)ethane (bpa) and 1,2-bis(4-pyridyl)ethene (bpe) were used for the synthesis of polynuclear silver(I) complexes, {[Ag(bpa)]NO3}n (1), {[Ag(bpa)2]CF3SO3.H2O}n (2) and {[Ag(bpe)]CF3SO3}n (3). In complexes 1–3, the corresponding nitrogen-containing heterocycle acts as a bridging ligand between two Ag(I) ions. In vitro antimicrobial activity of these complexes, along with the ligands used for their synthesis, was evaluated against the broad panel of Gram-positive and Gram-negative bacteria and fungi. The silver(I) complexes 1–3 showed selectivity towards Candida spp. and Gram-negative Escherichia coli in comparison to the other investigated bacterial strains, effectively inhibiting the growth of four different Candida species with minimal inhibitory concentrations (MICs) between 2.5 and 25 μg/mL and the growth of E. coli, with MIC value being 12.5 μg/mL. Importantly, complex 2 significantly reduced C. albicans filamentation, an essential process for its pathogenesis. Antiproliferative effect on the normal human lung fibroblast cell line MRC-5 was also evaluated with the aim of determining the therapeutic potential of the complexes 1–3. The interactions of these complexes with calf thymus DNA (ctDNA) and bovine serum albumin (BSA) were studied to evaluate their binding activities towards these biomolecules for possible insights on their mode of action. Sonja Ž. Đurić, Sandra Vojnovic, Tina P. Andrejević, Nevena Lj Stevanović, Nada D. Savić, Jasmina Nikodinovic-Runic, Biljana Đ. Glišić, and Miloš I. Djuran Copyright © 2020 Sonja Ž. Đurić et al. All rights reserved. The Response of the Pulp-Dentine Complex, PDL, and Bone to Three Calcium Silicate-Based Cements: A Histological Study in an Animal Rat Model Mon, 13 Apr 2020 10:05:02 +0000 Objective. The aim of this study was to histologically examine the tissue reaction of three different calcium silicate cements in the closure of perforations in rat incisor teeth. Material and Methods. An experimental lateral root perforation with pulp exposure was performed in 32 lower incisors of 16 male Wistar albino rats. They were randomly assigned into three test groups (each including eight teeth) that were filled either by Biodentine (BD) or MicroMega mineral trioxide aggregate (MM-MTA) or EndoSequence root repair material putty (ESRRM putty), besides eight unperforated incisors from the other four rats (control group). The inflammatory response and healing process were evaluated histologically and scored after one and four weeks. Differences among groups were tested by Kruskal–Wallis tests at .Results. In the first week, BD produced more inflammatory response in the pulpal (score 3) than other materials (score 2). Only ESRRM putty showed odontoblast-like cells in 50%, 25% dentine-like deposit, 25% evidence of bone deposition in the drilling site (score 2), and minimum periodontal ligament (PDL) necrosis and disorganization (25%, score 2). After one month, all groups had healthy pulpal tissue, but 25% of ESRRM putty retained score 1 inflammatory response, and 50% of the BD case had an incomplete palisading odontoblast layer (score 3). A thick and regular dentine bridge deposition was seen in the ESRRM putty group in comparison with MM-MTA and BD cases. The cortical plate healing in all ESRRM putty samples was complete (score 3), while an incomplete closure was seen in MM-MTA and BD groups (score 2). Both the MM-MTA and ESRRM putty groups had fully organized PDL (score 2), while in 50% of BD cases, a necrotizing area and disorganized PDL with inflammatory cells infiltration were still present. Statistically significant differences in the scores of any histologic parameters among the three tested materials were observed neither in the 1st nor in the 4th weeks of the experimental period. Conclusion. Better tissue compatibility and repair of pulpal and periodontal tissue have been detected after lateral perforation in the root of rat incisors when treated with ESRRM putty than MM-MTA and BD. However, the difference was not significant. Ranjdar Mahmood Talabani, Balkees Taha Garib, and Reza Masaeli Copyright © 2020 Ranjdar Mahmood Talabani et al. All rights reserved. High Throughput Approaches to Unravel the Mechanism of Action of a New Vanadium-Based Compound against Trypanosoma cruzi Sat, 11 Apr 2020 14:20:01 +0000 Treatment for Chagas disease, a parasitosis caused by Trypanosoma cruzi, has always been based on two drugs, nifurtimox and benznidazole, despite the toxic side effects described after prolonged prescription. In this work, we study a new prospective antitrypanosomal drug based on vanadium, here named VIVO(5Brsal)(aminophen). We found a good IC50 value, (3.76 ± 0.08) μM, on CL Brener epimastigotes. The analysis of cell death mechanism allowed us to rule out the implication of a mechanism based on early apoptosis or necrosis. Recovery assays revealed a trypanostatic effect, accompanied by cell shape and motility alterations. An uptake mostly associated with the insoluble fraction of the parasites was deduced through vanadium determinations. Concordantly, no drastic changes of the parasite transcriptome were detected after 6 h of treatment. Instead, proteomic analysis uncovered the modulation of proteins involved in different processes such as energy and redox metabolism, transport systems, detoxifying pathways, ribosomal protein synthesis, and proteasome protein degradation. Overall, the results here presented lead us to propose that VIVO(5Brsal)(aminophen) exerts a trypanostatic effect on T. cruzi affecting parasite insoluble proteins. M. Florencia Mosquillo, Pablo Smircich, Analía Lima, Sergio A. Gehrke, Gonzalo Scalese, Ignacio Machado, Dinorah Gambino, Beatriz Garat, and Leticia Pérez-Díaz Copyright © 2020 M. Florencia Mosquillo et al. All rights reserved. Antioxidant Properties of Lapachol and Its Derivatives and Their Ability to Chelate Iron (II) Cation: DFT and QTAIM Studies Tue, 31 Mar 2020 09:05:02 +0000 The elucidation of the complexation of lapachol and its derivatives to Fe2+ cation has been done using the density functional theory (DFT). This complexation has been limited to bidentate and tridentate to Fe2+ cation. Geometry optimizations have been implemented in gas and solution phase (water, acetonitrile, chlorobenzene, benzene, and toluene) for ligands at B3LYP/6-311++G (d,p) level of theory using B3LYP/6-31+G(d,p) optimized data as starting point. But, the geometrical optimizations in solution phase of the 22 complexes analyzed of lapachol and its derivatives to Fe2+ cation were restricted to acetonitrile and benzene. The complexation energy and the metal ion affinity (MIA) have also been calculated using the B3LYP method. The results obtained indicated a proportionality between the MIA values and the retained charge on Fe2+ cation for k2-(O1,O2) modes. But, an inverse proportionality has been yielded between these two parameters for k3-(O2, C=C) tridentate modes. For k3-(O3,C=C) tridentate mode coordination, the higher stability has been obtained. In this latter tridentate coordination in gas phase, the topological analysis of complexes exhibits the fact that the electron density is concentrated between the O3 oxygen atom of the ligand attached to Fe2+ and this metal cation. Moreover, the hydrogen bond strength calculated for isolated ligands (situated between 23.92 and 30.15 kJ/mol) is in the range of normal HBs. Collectively, all the complexation processes have shown to be highly exothermic. Our results have also shown that the electron extraction from Fe2+...Lai complexes is more difficult compared to that from free ligands. Djafarou Ngouh Pajoudoro, Daniel Lissouck, Baruch Ateba Amana, Joseph Zobo Mfomo, A. E. B. Abdallah, Alfred Aristide Flavien Toze, and Désiré Bikele Mama Copyright © 2020 Djafarou Ngouh Pajoudoro et al. All rights reserved. Impact of Molybdenum Compounds as Anticancer Agents Tue, 10 Sep 2019 10:05:09 +0000 The aim of this mini review was to report the molybdenum compound intervention to control cancer disease. The intervention explains its roles and progress from inorganic molybdenum compounds via organomolybdenum complexes to its nanoparticles to control oesophageal cancer and breast cancer as case studies. Main contributions of molybdenum compounds as anticancer agents could be observed in their nanofibrous support with suitable physicochemical properties, combination therapy, and biosensors (biomarkers). Recent areas in anticancer drug design, which entail the uses of selected targets, were also surveyed and proposed. Ayodele T. Odularu, Peter A. Ajibade, and Johannes Z. Mbese Copyright © 2019 Ayodele T. Odularu et al. All rights reserved. Mg-Al Mixed Oxide Adsorbent Synthesized Using FCT Template for Fluoride Removal from Drinking Water Sun, 07 Jul 2019 09:05:26 +0000 To make full use of natural waste, a novel Mg-Al mixed oxide adsorbent was synthesized by the dip-calcination method using the fluff of the chinar tree (FCT) and an Mg(II) and Al(III) chloride solution as raw materials. The adsorbents were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectroscopy, and X-ray photoelectron spectroscopy (XPS). The effects of the Mg/Al molar ratio and calcination temperature on the performance of the novel Mg-Al mixed oxide adsorbent were investigated. The optimized Mg-Al mixed oxide adsorbent had a Langmuir adsorption capacity of 53 mg/g. This adsorption capacity was higher than that of the separate Mg oxide and Al oxide. The synergy between Mg and Al is beneficial to the adsorption performance of the material. The fluoride adsorption capacity of the optimized Mg-Al mixed oxide adsorbent is only slightly affected by ions such as Cl−, NO3−, SO42−, Na+, and K+ and is excellent for use in recycling and real water. The hydroxyl groups on the surface of the Mg-Al mixed oxide adsorbent play a key role in the adsorption of fluorine. The as-obtained novel Mg-Al mixed oxide adsorbent is an efficient and environmentally friendly agent for fluoride removal from drinking water. Jifa Liu, Ping Zhao, Yue Xu, and Xibin Jia Copyright © 2019 Jifa Liu et al. All rights reserved. Cu(II) and Ni(II) Complexes with New Tridentate NNS Thiosemicarbazones: Synthesis, Characterisation, DNA Interaction, and Antibacterial Activity Mon, 01 Jul 2019 07:05:51 +0000 This paper reports the synthesis and detailed characterisation of copper(II) and nickel(II) complexes with tridentate thiosemicarbazone ligands H2L1 and H2L2 derived from 2-acetylpyrazine. The ligands and their metal complexes were characterised by different physicochemical techniques, including elemental and thermogravimetric analysis; UV-Vis, IR, 1H-NMR, and 13C-NMR spectroscopy; molar conductance measurements; and mass spectrometry. The crystal structure of the H2L1 ligand was determined by single crystal X-ray diffraction studies. The spectral data showed that the thiosemicarbazone behaves as an NNS tridentate ligand through the nitrogen atoms of the azomethine group and pyrazine ring and the sulphur atom of the thioamide group. Elemental and thermal analyses indicated that the obtained metal complexes had a 1 : 1 stoichiometry (metal-ligand). The interactions between these complexes and calf thymus DNA (CT-DNA) were studied by electronic absorption and viscosity measurements. The activities of these compounds against oxidative DNA cleavage were examined by agarose gel electrophoresis. Cu(II) and Ni(II) complexes can wind DNA strands through groove interactions and promote strand breakage of the plasmid pmCherry under oxidative stress conditions. Moreover, all the complexes could interact more strongly with DNA than could with the free ligands. Finally, the antibacterial activities of the ligands and their complexes were determined by in vitro tests against Gram-positive bacterial strains (S. aureus ATCC 25923, L. monocytogenes ATCC 19115, and B. cereus ATCC 10876) and Gram-negative bacterial strains (E. coli ATCC 25922, S. typhimurium ATCC 14028, and K. pneumoniae ATCC BAA-2146) using the broth microdilution method. The metal complexes showed greater antimicrobial activities than the precursor ligands against some of the microorganisms. Dorian Polo-Cerón Copyright © 2019 Dorian Polo-Cerón. All rights reserved. Antibacterial Effect of Silver Nanoparticles Synthesized Using Murraya koenigii (L.) against Multidrug-Resistant Pathogens Mon, 01 Jul 2019 00:05:33 +0000 Development of multidrug resistance among pathogens has become a global problem for chemotherapy of bacterial infections. Extended-spectrum β-lactamase- (ESβL-) producing enteric bacteria and methicillin-resistant Staphylococcus aureus (MRSA) are the two major groups of problematic MDR bacteria that have evolved rapidly in the recent past. In this study, the aqueous extract of Murraya koenigii leaves was used for synthesis of silver nanoparticles. The synthesized MK-AgNPs were characterized using UV-vis spectroscopy, FTIR, XRD, SEM, and TEM, and their antibacterial potential was evaluated on multiple ESβL-producing enteric bacteria and MRSA. The nanoparticles were predominantly found to be spheroidal with particle size distribution in the range of 5–20 nm. There was 60.86% silver content in MK-AgNPs. Evaluation of antibacterial activity by the disc-diffusion assay revealed that MK-AgNPs effectively inhibited the growth of test pathogens with varying sized zones of inhibition. The MICs of MK-AgNPs against both MRSA and methicillin-sensitive S. aureus (MSSA) strains were 32 μg/ml, while for ESβL-producing E. coli, it ranged from 32 to 64 μg/ml. The control strain of E. coli (ECS) was relatively more sensitive with an MIC of 16 μg/ml. The MBCs were in accordance with the respective MICs. Analysis of growth kinetics revealed that the growth of all tested S. aureus strains was inhibited (∼90%) in presence of 32 μg/ml of MK-AgNPs. The sensitive strain of E. coli (ECS) showed least resistance to MK-AgNPs with >81% inhibition at 16 μg/ml. The present investigation revealed an encouraging result on in vitro efficacy of green synthesized MK-AgNPs and needed further in vivo assessment for its therapeutic efficacy against MDR bacteria. Faizan Abul Qais, Anam Shafiq, Haris M. Khan, Fohad M. Husain, Rais A. Khan, Bader Alenazi, Ali Alsalme, and Iqbal Ahmad Copyright © 2019 Faizan Abul Qais et al. All rights reserved. Nonfunctionalized Cation of an Ionic Liquid as a Ligand in the Synthesis of a New Coordination Compound and Assessment of Its Biological Activity Mon, 24 Jun 2019 09:05:13 +0000 Literature evidences reveal the affinity of ionic liquids for biomembranes that they are readily absorbed into the cell, resulting in a variety of biological effects, including broad antibacterial potential and anticancer activity. Recent research directions considered the ions of this class of compounds as a new choice of ligands in the synthesis of transition metal complexes for various applications. Based on this, the present work reports the synthesis, structural characterization, and in vitro antibacterial activities of a tetrahedral hexacationic Co(II) complex formed by coordinating with the cation of an ionic liquid, N-butyl-4,4-bipyridinium bis(trifluoromethylsulfonyl)amide ([C4Bip][Tf2N]). It has been demonstrated by the isolation and characterization of tetrakis-(N-butyl-4,4′-bipyridinium)cobalt(II)dichloride-tetrakis-(bis(trifluoromethylsulfonyl)amide, ([(C4Bip)4Co]Cl2(Tf2N)4). The ligand and complex are characterized spectroscopically (1H, 13C, and 19F NMR, ESI MS, ICP OES), and by CHNS elemental analysis, halide estimation, and conductivity studies. The antibacterial activities of the compounds against two bacteria, Klebsiella pneumoniae (K. pneumoniae) and Staphylococcus aureus (S. aureus), are screened using the agar well-diffusion method and were compared with a reference (gentamicin). The metal complex demonstrated better inhibition than the ionic liquid and the reference. Getinet Tamiru Tigineh and Atakilt Abebe Copyright © 2019 Getinet Tamiru Tigineh and Atakilt Abebe. All rights reserved. Effects of N-Terminal and C-Terminal Polyhistidine Tag on the Stability and Function of the Thermophilic P450 CYP119 Thu, 20 Jun 2019 10:05:13 +0000 Biocatalysts are sought-after in synthesis of pharmaceuticals and agrochemicals due to their high regioselectivity and enantioselectivity. Among biocatalysts, heme-containing cytochrome P450 (P450) oxygenases are an attractive target since they catalyze oxidation of “unactivated” carbon-hydrogen bonds with high efficiency. CYP119 is an acidothermophilic P450 from Sulfolobus acidocaldarius, which has the potential to be widely used as a biocatalyst since it shows activity at high temperatures and low pH. Polyhistidine tags (His-tags) are widely used to simplify purification of proteins. However, His-tags can cause changes to protein structure and function. Here, we demonstrate the effects of His-tags on CYP119. To this end, the His-tags were cloned at the N-terminus or C-terminus of the CYP119, and His-tagged proteins were expressed and isolated. The thermostability and peroxidase activity of His-tagged CYP119s were tested and compared to wild type CYP119. Results indicated that while addition of His-tags increased the yield and simplified isolation of CYP119, they also influenced the electronic structure of active site and the activity of the protein. We show that N-terminal His-tagged CYP119 has desirable properties and potential to be used in industrial applications, but mechanistic studies using this protein need careful interpretation since the His-tag affects electronic properties of the active site heme iron. Yaprak Aslantas and Nur Basak Surmeli Copyright © 2019 Yaprak Aslantas and Nur Basak Surmeli. All rights reserved. Anticancer and Antimicrobial Properties of Inorganic Compounds/Nanomaterials Sun, 09 Jun 2019 11:05:05 +0000 Rais Ahmad Khan, Aurel Tăbăcaru, Farman Ali, and Bon H. Koo Copyright © 2019 Rais Ahmad Khan et al. All rights reserved.