Design anticancer potential of Zn(II)isoleucinedithiocarbamate complex on MCF-7 cell lines: synthesis, characterization, molecular docking, molecular dynamic, ADMET, and in-vitro studies.

Cisplatin is a cancer medication widely used today, but it still poses some problems due to its toxic properties in the body. To overcome this issue, a new complex has been developed as a potential anticancer drug prospect by minimizing its toxic consequences. A novel Zn(II)IleDTC complex containing isoleucine dithiocarbamate ligands has been produced and analyzed using a range of analytical and spectroscopic methods. The Zn(II) IleDTC complex were characterized using various methods, including UV-Vis spectroscopy, FT-IR, determination of melting point, conductivity, and HOMO-LUMO analysis. Furthermore, computational NMR spectrum analysis was conducted in this study. Molecular docking studies was conducted to evaluate the potential of Zn(II) isoleucine dithiocarbamate as an HIF1 inhibitor. The results showed that the Zn complex exhibited a good docking score of -6.6 and formed hydrogen bonds with ARG 17, VAL264, and GLU15, alkyl bonds with TRP27 and LEU32, and Pi-Alkyl bonds with PRO41 and ARG44. This suggests that the Zn(II) isoleucine dithiocarbamate complex could be a promising candidate for cancer treatment with potential HIF1 inhibition properties. To assess the dynamic stability and efficacy of protein-ligand interactions over time, molecular dynamics simulations was conducted for both individual proteins and protein complexes. The cytotoxicity evaluation of Zn(II) isoleucine dithiocarbamate against MCF-7 cells obtained an IC50 value of 362.70 µg/mL indicating moderate cytotoxicity and morphological changes of cancer cells causing cancer cells to undergo apoptosis. The Zn(II) isoleucine dithiocarbamate complex may have promising potential as an anticancer compound due to its significant inhibitory effect on the breast cancer cell line (MCF7). According to the ADMET study, the complex exhibits drug-like characteristics with low toxicity, further supporting its potential as a viable drug candidate.

Differentiated sap (4-6) gene expression of Candida albicans isolates from HIV-positive patients with oral candidiasis and commensals in healthy individuals.

Gene expression of SAP 4-6 based on the detection of mRNA was observed in Candida albicans isolates from HIV-positive patients with oral candidiasis and commensal from healthy individuals. The species of C. albicans strains were selectively isolated from both sources using CHROMagar Chromogenic Media. The obtained isolates were then induced to express SAP 4-6 using SAP 4-6 gene inducer media. Analysis of gene expression was performed on a molecular basis using the RT-PCR method. Molecular analysis of gene expression showed that the isolates CH3 from HIV-positive patients with oral candidiasis could express SAP 4-6 gene, while commensal isolates from healthy people could not. Based on the results of this study, it could be concluded that, in terms of molecular detection, only isolates from HIV-positive patients (CH3) could express their SAP 4-6 gene.

Anticancer potential of Cu(II)prolinedithiocarbamate complex: design, synthesis, spectroscopy, molecular docking, molecular dynamic, ADMET, and in-vitro studies.

Breast cancer continues to be a major health issue for women all over the world. Cancer medications like cisplatin, which are widely used, still have negative side effects. The novel complex was created as a potential anticancer medication candidate that is both effective and safe, with few side effects. The Cu(II) complex using the prolinedithiocarbamate ligands was synthesized in situ. The Cu(II) complexes Characterization by UV-Vis, FT-IR spectroscopy and melting point determination, conductivity, and HOMO-LUMO were studied. Computational NMR spectrum analysis was performed. The interaction of Cu(II)prolineditiocarbamate complex with cancer cell target protein (MCF-7) was confirmed by molecular docking and molecular dynamic. The pharmacokinetic/ADMET properties were also performed on the complex. Results of the cytotoxic complex test against cancer cells (MCF-7) undergoing apoptosis with an IC50 value of 13.64 µg/mL showed high anticancer activity in MCF-7 cancer cells. The in-vivo data for Cu(II)prolineditiocarbamate complex was predicted using the Protox online tool with an LD50 value of 2500 mg/kg and belonging to the GHS toxicity class 5, which means the compound has a low acute toxicity effect. The Cu(II) prolineitiocarbamate complex may pave the way for the development of essential metal-based chemotherapy for the treatment of breast cancer.Communicated by Ramaswamy H. Sarma.

Impacts of industrial production and air quality by remote sensing on nitrogen dioxide concentration and related effects: An econometric approach.

The high concentration of nitrogen dioxide (NO2) is to blame for West Java's poor Air Quality Index (AQI). So, this study aims to determine the influence of industrial activity as reflected by the value of its imports and exports, wind speed, and ozone (O3) on the high concentration of tropospheric NO2. The method used is the econometric Vector Error Correction Model (VECM) approach to capture the existence of a short-term and long-term relationship between tropospheric NO2 and its predictor variables. The data used in this study is in the form of monthly time series data for the 2018-2022 period sourced from satellite images (Sentinel-5P and ECMWF Climate Reanalysis) and publications of the Central Bureau of Statistics (BPS-Statistics Indonesia). The results explained that, in the short-term, tropospheric NO2 and O3 influence each other as they would in a photochemical reaction. In the long-term, exports from the industrial sector and wind speed have a significant effect on the concentration of tropospheric NO2. The short-term effect occurs directly in the first month after the shock, while the long-term effect occurs in the second month after the shock. Wind gusts originating from industrial areas cause air conditions to be even more alarming because tropospheric NO2 pollutants spread throughout the region in West Java. Based on the coefficient correlation result, the high number of pneumonia cases is one of the impacts caused by air pollution.

Novel Complex of Zinc (II) Dichloroethylenediamine: Synthesis, Characterization, In-silico, and In-vitro Evaluation against Cervical Cancer Cells.

OBJECTIVE: Cervical cancer is a malignancy originating from the cervix and often caused by oncogenic Human Papilloma Virus (HPV), specifically subtypes 16 and 18. Anticancer drugs are chemotherapeutic compounds used for cancer treatment. Therefore, this research aims to synthesize and characterize Zinc (II) dichloroethylenediamine (Zn(en)Cl2) complex, as well as determine its antiproliferative activity against HeLa cells. The Zn(en)Cl2 complex was successfully synthesized, and the antiproliferative activity was tested. METHODS: The synthesis involved reacting ethylenediamine and KCl with Zn metal. The complex formed was characterized using a conductometer, UV-Vis spectroscopy, FT-IR spectroscopy, and XRD, while the activity was measured against HeLa cells. RESULT: The synthesis yielded a 56.12% conversion with a melting point of 198-200 oC and a conductivity value of 2.02 mS/cm. The Zn(en)Cl2 complex showed potential activity against HeLa cells with an IC50 value of 898.35 µg/mL, which was evidenced by changes in the morphological structure of HeLa cells. Its interaction with DNA targets was investigated by employing molecular docking. CONCLUSION: The observed data indicated that the Zn(en)Cl2 complex bound to DNA at the nitrogenous base Guanine (DG) by coordinate covalent bonds. Interestingly, DG maintained interaction with the complex until the end of the docking simulation. Additionally, molecular dynamics (MD) simulation was conducted, and the results showed that Zn(en)Cl2 remained bound to the DNA binding pocket all through the process.

The protective effect of nano calcium produced from freshwater clam shells on the histopathological overview of the liver and kidneys of mice exposed to mercury toxins.

BACKGROUND AND AIM: Freshwater clam shells nanoparticles powder is one of the uses of freshwater clams that can manufacture instant granular mineral supplements. This product can be used as a supplement to detoxify heavy metal toxins, such as Mercury. Mercury is an element that is detectable in all environmental media. Adults and children receive the most Mercury from food, air, and water intake. The majority of Mercury in the environment comes from the waste from mining activities and the metal industry. Mercury was found widely in the biosphere and is known as a dangerous hepatotoxicant. This study aimed to describe the hepatoprotective role of nano minerals (Ca, Mg, and Zn) produced from freshwater clam shells against mercury acetate poisoning in mice. MATERIAL AND METHODS: The mice were divided randomly into a control group (aqua bidest and mercury acetate) and an experimental group for this purpose. The experimental mice group was given orally nano Ca supplementation in three dose groups (9 mg, 18 mg, and 27 mg/200 g animal body weight) once a day for 21 consecutive days. The mice are then given mercury acetate (1300 µg/200 g animal body weight intraperitoneally) on the 21st day. One hour after giving the nano Ca supplement, the mice's blood was taken. Liver and kidney were autopsied two days later to check quantitative and qualitative changes caused by mercury concentrations in liver and kidney histopathologies. RESULTS: The results demonstrated the importance of nano Ca supplementation before mercury acetate induction, which has been shown to reduce necrotic depletion and hepatocyte degeneration. CONCLUSION: Nano Ca supplementation has decreased the concentration of Hg in the blood of mice so that it can be used as a potential health supplement to detoxify mercury toxins.

Drying Regimes on Regenerated Cellulose Films Characteristics and Properties.

Abundant water content and its interaction with cellulose macromolecules through hydrogen bonding engenders a complex drying process, the circumstances of which have not yet been unveiled. For instance, excessive drying on regenerated cellulose membranes (RCM) causes cracking and severe shrinking, affecting the produced regenerated cellulose film (RCF). Thus, mathematical models in estimating the drying kinetics and required energy to dry RCM are necessary. This study evaluated two drying techniques of oven drying and infrared (IR) drying on RCM at different temperatures of 50-80 °C. Five mathematical models were used, namely Newton, Page, Handreson-Pabis, logarithmic, and Wang-Singh, to adjust the obtained experimental data and were statistically validated using ANOVA to review their effect on the quality of the produced RCF. A logarithmic model and a Wang-Singh model were the best models for oven drying and IR drying of RCM, respectively. It was found that the physical property of the RCF was similar to all drying types. Meanwhile, for mechanical properties, the high temperature of oven drying affected the tensile properties of RCF compared with IR drying. This study is beneficial by approximating the drying kinetics of RCM and defining appropriate drying conditions, which controls the quality of its predictive physical and mechanical properties.

A New Complex Design of Fe (II) Isoleucine Dithiocarbamate as a Novel Anticancer and Antivirus against SARSCOV-2 (COVID-19).

BACKGROUND: This study was carried out to synthesize a new complex of Fe(II) with isoleucine dithiocarbamate ligand and to determine its potential as an anticancer and antiviral agent for SARSCOV-2. METHODS: The synthesized complexes were then characterized by UV-vis and FT-IR spectroscopy and their melting points. The value of the conductivity of the complex compound is also determined. Anti-cancer activity was tested in vitro and molecular docking. Its potential as an antiviral against SARSCOV-2 was also carried out by molecular docking. Pharmacokinetics/ADMET properties were also carried out on the complex. RESULT: Spectral results showed the successful synthesis of Fe(II) isoleucine dithiocarbamate complex. The complex produced UV-vis spectra at 268 and 575 nm, and the IR data at 399-599 cm-1 showed the coordination between the Fe(II) atoms with sulphur, nitrogen and oxygen of the isoleucine dithiocarbamate ligand. Fe(II) isoleucine dithiocarbamate had a cytotoxicity effect on the MCF-7 cell line (IC50 =613 µg/mL). The complex significantly caused morphological changes in the breast cancer cell line, finally leading to cell apoptosis. CONCLUSION: Cytotoxic test of Fe(II) isoleucine dithiocarbamate showed moderate anticancer activity on MCF-7 cancer cells and showed antiviral activity against SARSCOV-2 by interfering with spike glycoprotein -ACE2 receptors, and inhibiting major proteases and 3Clpro.

A novel application of simple submersible yeast-based microbial fuel cells as dissolved oxygen sensors in environmental waters.

In this study, yeast microbial fuel cells (MFCs) were established as biosensors for in-situ monitoring of dissolved oxygen (DO) levels in environmental waters, with yeast and glucose substrates acting as biocatalyst and fuel, respectively. Diverse environmental factors, such as temperature, pH and conductivity, were considered. The sensor performance was first tested with distilled water with different DO levels ranging from 0 mg/L to 8 mg/L and an external resistance of 1000 Ω. The relationship between DO and current density was non-linear (exponential). This MFC capability was further explored under different environmental conditions (pH, temperature and conductivity), and the current density produced was within the range of 0.14-34.88 mA/m2, which increased with elevated DO concentration. The resulting regression was y = 1.3051e0.3548x, with a regression coefficient (R2) = 0.71, indicating that the MFC-based DO meter was susceptible to interference. When used in environmental water samples, DO measurements using MFC resulted in errors ranging from 6.25 % to 15.15 % when compared with commercial DO meters. The simple yeast-based MFC sensors demonstrate promising prospects for future monitoring in a variety of areas, including developing countries and remote locations.

A Comprehensive Review on Natural Fibers: Technological and Socio-Economical Aspects.

Asian countries have abundant resources of natural fibers, but unfortunately, they have not been optimally utilized. The facts showed that from 2014 to 2020, there was a shortfall in meeting national demand of over USD 2.75 million per year. Therefore, in order to develop the utilization and improve the economic potential as well as the sustainability of natural fibers, a comprehensive review is required. The study aimed to demonstrate the availability, technological processing, and socio-economical aspects of natural fibers. Although many studies have been conducted on this material, it is necessary to revisit their potential from those perspectives to maximize their use. The renewability and biodegradability of natural fiber are part of the fascinating properties that lead to their prospective use in automotive, aerospace industries, structural and building constructions, bio packaging, textiles, biomedical applications, and military vehicles. To increase the range of applications, relevant technologies in conjunction with social approaches are very important. Hence, in the future, the utilization can be expanded in many fields by considering the basic characteristics and appropriate technologies of the natural fibers. Selecting the most prospective natural fiber for creating national products can be assisted by providing an integrated management system from a digitalized information on potential and related technological approaches. To make it happens, collaborations between stakeholders from the national R&D agency, the government as policy maker, and academic institutions to develop national bioproducts based on domestic innovation in order to move the circular economy forward are essential.

Biological aspects of Myopopone castanea on it's prey Oryctes rhinoceros larvae.

Ants are social insects with some significant roles in the ecosystem, including acting as predators for various insect pests. Myopopone castanea ants is a predatorfor the larvae of Oryctes rhinoceros pest. The existence of a similar niche of life between M. castanea ants and O. rhinoceros larvae opens an excellent opportunity to utilize these ants as biological agents. The research was conducted to study some aspects biology of M. castanea so that later it can be applied to mass rearing of natural enemies in the laboratory. The study was conducted by maintaining 50 eggs of M. castanea ant. Then, the eggs placed on two pieces of decayed palm oil stem together with twenty individual worker ants and ten individual end instar larvae. It needs five replications for the experiment. The results showed that egg stadia length was 13.8 days. It found five instars within M. castanea ant larvae with varying lengths of each stage. It takes 17.2 days for worker ant pupae to go through stadia pupa and 17.9 days for female ant pupae. The survival rate of M. castanea ant life from eggs until imago is 56.4%, which means that from several groups of eggs laid by queen ants, only about half have succeeded in becoming ant imago.

Antimicrobial Imperata cylindrica paper coated with anionic nanocellulose crosslinked with cationic ions.

Recently, the interest in active packaging utilization has increased with population growth, food demand and new consumer trend like food delivery services. This new system, however, requires the use of additives to extend the food product quality and safety as well as in maintaining the shelf-life. This study was to prepare the antimicrobial paper from I. cylindrica coated anionic nanocellulose crosslinked cationic to create a system with the ability to actively control microbe growth in the packaging materials. The process involved pulping of I. cylindrica using semi-chemical and soda chemical method. The antimicrobial paper was prepared by printing the pulp suspension in 60 g/m2 grammage in mold followed by the spray of anionic nanocellulose and subsequent soaking of the paper in cationic solution. The results showed the I. cylindrica paper coated anionic nanocellulose crosslinked with H+ and Al3+ cations were successfully produced. The paper produced was also observed to have antimicrobial activity against Gram-negative of E. coli and S. typhi as well as Gram-positive of S. aureus and B. subtilis bacteria. Furthermore, the best coating method was found on antimicrobial paper coated anionic nanocellulose crosslinked Al3+ as evidenced by smoother and compact surface structure.

Characterization and properties of cellulose microfibers from water hyacinth filled sago starch biocomposites.

The cellulose microfibers (CMF) from water hyacinth (WH) fiber as a filler in sago starch (SS) biocomposites was investigated. The CMF was isolated by pulping, bleaching and acid hydrolysis methods. The addition of CMF in sago matrix was varied i.e. 0, 5, 10, 15 and 20 wt%. Biocomposites were made by using solution casting and glycerol as a plasticizer. The biocomposites were also determined by tensile test, FTIR, X-Ray, thermogravimetric, SEM, and soil burial tests. The results show that the SS15CMF sample has the highest tensile strength of 10.23 MPa than those other samples. Scanning Electron Microscope (SEM) images show that the strong interaction was formed between CMF WH and matrix. Fourier Transform Infra-red (FTIR) indicated that the functional group of biocomposites was a hydrophilic cluster. The addition of CMF WH in sago starch biocomposites lead to the moisture barrier, crystallinity, and thermal stability increased; it is due to the pure sago starch film was more rapidly degraded than its biocomposites.

Comparison of selected metals content in Cambodian striped snakehead fish (Channa striata) using solar drying system and open sun drying.

The content of 12 elements in Cambodian dried striped snakehead fish was determined using inductively coupled plasma mass spectrometry. The present study compares the level of the trace toxic metals and nutritional trace elements in the fish processed using solar drying system (SDS) and open sun drying (OSD). The skin of SDS fish has lower level of As, Pb, and Cd compared to the OSD sample. As such, the flesh of the fish accumulated higher amount of toxic metals during OSD compared to SDS. However, arsenic was detected in both samples within the safe limit. The nutritional elements (Fe, Mn, Mg, Se, Mo, Cu, Ni, and Cr) were higher in the skin sample SDS fish compared to OSD fish. These beneficial metals were not accumulated in the flesh sample SDS fish demonstrating lower level compared to drying under conventional system. The reddish coloration of the SDS fish was due to the presence of high Cu content in both the skin and flesh samples which possibly account for no mold formation 5 days after packaging. As conclusion, drying of Cambodian C. striata using solar-assisted system has proven higher content of the nutritious elements compared to using the conventional system despite only slight difference in the toxic metals level between the two systems.