Phytochemical Discrimination, Biological Activity and Molecular Docking of Water-Soluble Inhibitors from Saussurea costus Herb against Main Protease of SARS-CoV-2.

Siddha medicine is one of the oldest medical systems in the world and is believed to have originated more than 10,000 years ago and is prevalent across ancient Tamil land. It is undeniable that inhibitor preferences rise with increasing solubility in water due to the considerations pertaining to the bioavailability and the ease of which unabsorbed residues can be disposed of. In this study, we showed the phytochemical discrimination of Saussurea costus extracted with water at room temperature as a green extraction procedure. A total of 48 compounds were identified using gas chromatography-mass spectrometry (GC-MS). The fatty acids had a high phytochemical abundance at 73.8%, followed by tannins at 8.2%, carbohydrates at 6.9%, terpenoids at 4.3%, carboxylic acids at 2.5%, hydrocarbons at 2.4%, phenolic compounds at 0.2%, and sterols at 1.5%. Of these compounds, 22 were docked on the active side and on the catalytic dyad of His41 and Cys145 of the main protease of SARS-CoV-2 (Mpro). Eight active inhibitors were carbohydrates, five were fatty acids, three were terpenoids, two were carboxylic acids, one was a tannin, one was a phenolic compound, and one was a sterol. The best inhibitors were 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl), Andrographolide, and delta.4-Androstene-3.beta.,17.beta.-diol, with a binding affinity that ranged from -6.1 kcal/mol to -6.5 kcal/mol. The inhibitory effect of Saussurea costus of SARS-CoV-2 entry into the cell was studied using a pseudovirus with Spike proteins from the D614G variant and the VOC variants Gamma and Delta. Based on the viral cycle of SARS-CoV-2, our results suggest that the Saussurea costus aqueous extract has no virucidal effect and inhibits the virus in the events after cell entry. Furthermore, the biological activity of the aqueous extract was investigated against HSV-1 virus and two bacterial strains, namely Staphylococcus aureus ATCC BAA 1026 and Escherichia coli ATCC 9637. According to this study, an enormous number of water-soluble inhibitors were identified from Saussurea costus against the Mpro, and this is unprecedented as far as we know.

Application of Synthesized Vanadium-Titanium Oxide Nanocomposite to Eliminate Rhodamine-B Dye from Aqueous Medium.

In this study, a V@TiO2 nanocomposite is examined for its ability to eliminate carcinogenic Rhodamine (Rh-B) dye from an aqueous medium. A simple ultrasonic method was used to produce the nanosorbent. In addition, V@TiO2 was characterized using various techniques, including XRD, HRTEM, XPS, and FTIR. Batch mode studies were used to study the removal of Rh-B dye. In the presence of pH 9, the V@TiO2 nanocomposite was able to remove Rh-B dye to its maximum extent. A correlation regression of 0.95 indicated that the Langmuir model was a better fit for dye adsorption. Moreover, the maximum adsorption capacity of the V@TiO2 nanocomposite was determined to be 158.8 mg/g. According to the thermodynamic parameters, dye adsorption followed a pseudo-first-order model. Based on the results of the study, a V@TiO2 nanocomposite can be reused for dye removal using ethanol.

In Vitro Influence of ZnO, CrZnO, RuZnO, and BaZnO Nanomaterials on Bacterial Growth.

In this work, ZnO, CrZnO, RuZnO, and BaZnO nanomaterials were synthesized and characterized in order to study their antibacterial activity. The agar well diffusion, minimum inhibitory concentration (MIC), and minimum bactericidal concentration (MBC) assays were used to determine the antibacterial activity of the fabricated nanomaterials against Staphylococcus aureus ATCC 29213, Escherichia coli ATCC35218, Klebsiella pneumoniae ATCC 7000603, and Pseudomonas aeruginosa ATCC 278533. The well-diffusion test revealed significant antibacterial activity against all investigated bacteria when compared to vancomycin at a concentration of 1 mg/mL. The most susceptible bacteria to BaZnO, RuZnO, and CrZnO were Staphylococcus aureus (15.5 ± 0.5 mm), Pseudomonas aeruginosa (19.2 ± 0.5 mm), and Pseudomonas aeruginosa (19.7 ± 0.5), respectively. The MIC values indicated that they were in the range of 0.02 to 0.2 mg/mL. The MBC values showed that the tested bacteria's growth could be inhibited at concentrations ranging from 0.2 to 2.0 mg/mL. According to the MBC/MIC ratio, BaZnO, RuZnO, and CrZnO exhibit bacteriostatic effects and may target bacterial protein synthesis based on the results of the tolerance test. This study shows the efficacy of the above-mentioned nanoparticles on bacterial growth. Further biotechnological and toxicological studies on the nanoparticles fabricated here are recommended to benefit from these findings.

Environmental-Impact Assessment of Natural Radioactivity Around a Traditional Mining Area in Al-Ibedia, Sudan.

Recently, in the Sudan, traditional gold mining has been growing rapidly and has become a very attractive and popular economic activity. Mining activity is recognized as one of the sources of radioactivity contamination. Hence, the radioactivity concentration and radiological hazard due to exposure of radionuclides (226)Ra, (232)Th, and (40)K were evaluated. The measurements were performed using gamma-ray spectrometry with an NaI (Tl) detector. The results show that (226)Ra, (232)Th, and (40)K activity concentration ranged from 2.66 to 18.47, 9.20 to 51.87, and 0.17 to 419.77 Bq/kg with average values of 7.54 ± 4.91, 20.74 ± 11.29, and 111.87 ± 136.84 Bq/kg, respectively. In contrast, (222)Rn in soil, (222)Rn in air, and (226)Ra in vegetables along with radiation dose were computed and compared with the international recommended levels. Potential radiological effects to miners and the public due to (226)Ra, (232)Th, (40)K, and (222)Rn are insignificant. (226)Ra transferred to vegetables appears to be negligible compared with the allowable limit 1.0 mSv/year set by United Nations Scientific Committee on the Effects of Atomic Radiation (UNSCEAR). The average value of the annual gonadal dose equivalent (AGDE) is lower than the global average of 300 µSv/year (UNSCEAR 2000). However, some locations exhibit values >300 µSv/year. To the best of our knowledge, so far there seems to be no data regarding radioactivity monitoring in traditional mining areas in the Sudan.

Exploring the photodynamic profile of laser-generated exciplex from a conjugated polymer.

In this work, we investigated the impact of the concentration on the spectral and amplified spontaneous emission spectra (ASE) of a conducting polymer of poly(2,5-di(3,7-dimethyloctyloxy) cyanoterephthalylidene) (PDDCP) in tetrahydrofuran (THF). The findings demonstrate that the absorption spectra exhibited two peaks at 330 and 445 nm across the concentration range (1-100 µg/mL). Irrespective of the optical density, altering the concentrations did not affect the absorption spectrum. Also, the analysis indicated that the polymer did not agglomerate in the ground state for any of the concentrations mentioned. However, changes in the polymer had a substantial effect on its photoluminescence spectrum (PL), likely due to the formation of exciplexes and excimers. Also, the energy band gap also varied as a function of concentration. At a certain concentration (25 µg/mL) and pump pulse energy (3 mJ), PDDCP produced a superradiant ASE peak at 565 nm with a remarkably narrow full width at half maximum (FWHM). These findings can provide insight into the optical characteristics of PDDCP, which may have potential applications in the fabrication of tunable solid-state laser rods, Schottky diodes, and solar cell applications.

Inhibitory Activity of Saussurea costus Extract against Bacteria, Candida, Herpes, and SARS-CoV-2.

Medicinal herbs have long been utilized to treat various diseases or to relieve the symptoms of some ailments for extended periods. The present investigation demonstrates the phytochemical profile, molecular docking, anti-Candida activity, and anti-viral activity of the Saussurea costus acetic acid extract. GC-MS analysis of the extract revealed the presence of 69 chemical compounds. The chemical compounds were alkaloids (4%), terpenoids (79%), phenolic compounds (4%), hydrocarbons (7%), and sterols (6%). Molecular docking was used to study the inhibitory activity of 69 identified compounds against SARS-CoV-2. In total, 12 out of 69 compounds were found to have active properties exhibiting SARS-CoV-2 inhibition. The binding scores of these molecules were significantly low, ranging from -7.8 to -5.6 kcal/mol. The interaction of oxatricyclo [20.8.0.0(7,16)] triaconta-1(22),7(16),9,13,23,29-hexaene with the active site is more efficient. Furthermore, the extract exhibited significant antimicrobial activity (in vitro) against Candida albicans, which was the most susceptible microorganism, followed by Bacillus cereus, Salmonella enterica, Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa, respectively. On the other hand, its antiviral activity was evaluated against HSV-1 and SARS-CoV-2, and the results showed a significant positive influence against HSV-1 (EC50 = 82.6 g/mL; CC50 = 162.9 g/mL; selectivity index = 1.9). In spite of this, no impact could be observed in terms of inhibiting the entry of SARS-CoV-2 in vitro.

Spectral Behavior of a Conjugated Polymer MDMO-PPV Doped with ZnO Nanoparticles: Thin Films.

The purpose of the presented study is to examine the impact of zinc oxide nanoparticles (ZnO NPs) on the spectrum features of poly [2-methoxy-5-(3',7'-dimethyloctyloxy)-1, 4-phenylenevinylene] (MDMO-PPV). The characteristics of the MDMO-PPV and doped ZnO NPS samples were assessed using several techniques. A set of solutions of MDMO-PPV in toluene that were doped with different ratio percentages of ZnO NPs was prepared to obtain thin films. Pristine and composite solutions were spin-coated on glass substrates. It was observed that MDMO-PPV had two distinct absorbance bands at 310 and 500 nm in its absorption spectrum. The UV-Vis spectrum was dramatically changed when 5% of ZnO NPs were added. The result showed a significant reduction in absorption of the band 500 nm, while 310 nm absorption increased rapidly and became more pronounced. Upon adding (10%) ZnONPs to the sample, no noticeable change was observed in the 500 nm band. However, the 310 nm band shifted towards the blue region. There is a dominant peak in the PL spectrum of MDMO-PPV in its pristine form around 575 nm and a smaller hump around 600 nm of the spectrum. The spectral profile at 600 nm and the intensity of both bands are improved by raising the ZnO NP concentration. These bands feature two vibronic transitions identified as (0-0) and (0-1). When the dopant concentration increased to the maximum dopant percentage (10%), the energy band gap values increased by 0.21 eV compared to the pristine MDMO-PPV. In addition, the refractive index (n) decreased to its lowest value of 2.30 with the presence of concentrations of ZnO NPs.

Spices as Sustainable Food Preservatives: A Comprehensive Review of Their Antimicrobial Potential.

Throughout history, spices have been employed for their pharmaceutical attributes and as a culinary enhancement. The food industry widely employs artificial preservatives to retard the deterioration induced by microbial proliferation, enzymatic processes, and oxidative reactions. Nevertheless, the utilization of these synthetic preservatives in food products has given rise to significant apprehension among consumers, primarily stemming from the potential health risks that they pose. These risks encompass a spectrum of adverse effects, including but not limited to gastrointestinal disorders, the disruption of gut microbiota, allergic reactions, respiratory complications, and concerns regarding their carcinogenic properties. Consequently, consumers are displaying an increasing reluctance to purchase preserved food items that contain such additives. Spices, known for their antimicrobial value, are investigated for their potential as food preservatives. The review assesses 25 spice types for their inherent antimicrobial properties and their applicability in inhibiting various foodborne microorganisms and suggests further future investigations regarding their use as possible natural food preservatives that could offer safer, more sustainable methods for extending shelf life. Future research should delve deeper into the use of natural antimicrobials, such as spices, to not only replace synthetic preservatives but also optimize their application in food safety and shelf-life extension. Moreover, there is a need for continuous innovation in encapsulation technologies for antimicrobial agents. Developing cost-effective and efficient methods, along with scaling up production processes, will be crucial to competing with traditional antimicrobial options in terms of both efficacy and affordability.

Unveiling Chemical, Antioxidant and Antibacterial Properties of Fagonia indica Grown in the Hail Mountains, Saudi Arabia.

The Aja and Salma mountains in the Hail region are home to a variety of indigenous wild plants, some of which are used in Bedouin folk medicine to treat various ailments. The purpose of the current study was to unveil the chemical, antioxidant and antibacterial properties of Fagonia indica (Showeka) grown widely in these mountains, as data on the biological activities of this plant in this remote area are scarce. XRF spectrometry indicated the presence of some essential elements, which were in the order of Ca > S > K > AL > CL > Si > P > Fe > Mg > Na > Ti > Sr > Zn > Mn. Qualitative chemical screening revealed the presence of saponins, terpenes, flavonoids, tannins, phenols and cardiac glycosides in the methanolic extract (80% v/v). GC-MS showed the presence of 2-chloropropanoic acid 18.5%, tetrahydro-2-methylfuran 20.1%, tridecanoic acid 12-methyl-, methyl ester 2.2%, hexadecanoic acid, methyl ester 8.6%, methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate 13.4%, methyl linoleate 7.0%, petroselinic acid methyl ester 15%, erucylamide 6.7% and diosgenin 8.5%. Total phenols, total tannins, flavonoids, DPPH, reducing power, -carotene and ABTS IC50 (mg/mL) scavenging activity were used to measure the antioxidant capabilities of Fagonia indica, which exhibited prominent antioxidant properties at low concentrations when compared to ascorbic acid, butylate hydroxytoluene and beta-carotene. The antibacterial investigation revealed significant inhibitory effects against Bacillus subtilis MTCC121 and Pseudomona aeruginosa MTCC 741 with inhibition zones of 15.00 ± 1.5 and 12.0 ± 1.0 mm, respectively. The MIC (minimum inhibitory concentration) and MBC (minimum bactericidal concentration) ranged between 125 to 500 µg/mL. The MBC/MIC ratio indicated possible bactericidal efficacy against Bacillus subtilis and bacteriostatic activity against Pseudomona aeruginosa. The study also showed that this plant has anti-biofilm formation activity.

Gamma / neutron radiation shielding, structural and physical characteristics of iron slag nanopowder.

The current study explores the effectiveness of an iron slag nanopowder (ISNP), which prepared from local iron steel industry, against gamma/neutron shielding. The structural and physical characteristics were experimentally determined. The crystal structure, morphology and elemental composition of the ISNP were studied using X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX). On the other hand, a comprehensive experimental and theoretical study on the γ-ray shielding effectiveness of the ISNP was performed. In which, the experimental results have been validated by comparison with theoretical data which obtained by using the WinXcom program. This paper uses the well-known mathematical relationships to derive many shielding and dosimetry parameters such as effective atomic number and, effective electron density, for photon interaction and photon energy absorption as well as the γ-ray kerma coefficient from the mass attenuation coefficient. The exposure and energy absorption buildup factors have been also calculated. Furthermore, the shielding effectiveness against thermal and fast neutrons has been tested in terms of total macroscopic cross-sections. The results have revealed that the produced ISNP, with crystallite size of 24.5 nm, exhibits good shielding characteristics. Finally, based on this preliminary study, we can have concluded that the iron slag nanoparticles can be suitably used as an effective and safe (lead - free) component for radiation shielding.

Assessment of iodine supplementation program on thyroid function in Sudan.

The aim of this Study is to investigate whether the Iodine Supplementation Programme is successful or not. This Programme was implemented in Nyala to treat the Iodine deficiency. In this Study Nyala was selected to act as (a study area), due to the history of Iodine deficiency of this region, while Khartoum was selected to act as (a control area). 2000 samples were collected from Khartoum versus 450 samples from Nyala. Thyroxine (T4) and triiodothyronine (T3) levels in two regions were measured and performed by using radioimmunoassay (RIA), also the immunoradiometric assay (IRMA) used for measurement of thyroid stimulating hormone (TSH). The obtained results analyzed by using Statistical Package for Social Sciences (SPSS). (Coherent retrospective) used to determine differences between the study groups. The results of this study showed, there was no significant difference between the mean serum concentrations of T3 and TSH for Khartoum and Nyala. T4of Khartoum (117.93 ±â€¯42.797) nmol/L and the mean serum T4 of Nyala (114.54 ±â€¯45.526) nmol/L, the (P-value = 0.133).T3for Khartoum (1.8040 ±â€¯0.99047) nmol/L and T3of Nyala (1.7307 ±â€¯0.96508) nmol/L, the (P-value = 0.153). TSH for Khartoum (1.4480 ±â€¯0.95807)mIU/Land the mean serum TSH of Nyala (1.4553 ±â€¯1.0244) mIU/L, the (P-value = 0.885). The study showed a clear observation of improvement of hypothyroidism cases in Nyala while the ratio decreased from 64.09% to 0.6%. All the results were carried out according to normal range of Sudanese. The conclusion from this study the iodine supplementation programme is successful. The study recommends rising the health awareness among people by explain the severity of iodine deficiency, and continue in iodine supplementation programme, also establishment of monitoring system including monitoring the presence of iodized diets (sugar, salt, oils, and bread) in the markets. Finally, further studies are needed in other parts of Sudan to assess the size of iodine deficiency problem.

Investigation of natural radioactivity levels in water around Kadugli, Sudan.

Surface water from Miri Lake and groundwater from around Kadugli (West-Central Sudan) obtained by means of hand-pumps was analysed for (238)U, (226)Ra, (222)Rn, and (232)Th activity concentrations. The surface water showed very low levels of radionuclide concentrations: <1.0-7.5, 8.5-16.5, <1.6, and <0.1-0.39 mBq L(-1) for (238)U, (226)Ra, (222)Rn, and (232)Th, respectively. Groundwater revealed a significant amount of natural radioactivity (16.1-1720, 7.7-14.3, 3000-139,000, <0.1-39 mBq L(-1)) respectively. The overall annual effective dose was below the WHO reference dose level of 0.1 mSv yr(-1) except in one groundwater sample with an associated dose of 0.7 mSv yr(-1).

RADIOLOGICAL HAZARD INDICES OF GRANITIC ROCKS USED FOR THE CONSTRUCTION OF BUILDINGS FROM NUBA MOUNTAINS SUDAN.

This study was conducted to assess the level of radioactivity and the radiation hazards associated with granite rocks used for construction of buildings. The measurement of radioactivity content of the rock samples was performed with gamma-spectrometry equipped with Nal (TI) detector. From the results obtained in this study the average activity concentrations of 226Ra, 232Th and 40K were 20.64, 30.50 and 295.19 Bq kg-1, respectively. The absorbed dose rate in air at 1 m above ground level, the annual effective dose and the gamma index were determined with the aim to assess the possible radiological impact on inhabitants of dwellings built using such rocks. The mean value of the absorbed dose rate, the annual effective dose and the gamma index (Iγ) was 36.36 nGy h-1, 40.79 µSv y-1 and 0.51 µSv y-1, respectively. Radium equivalent activities, and external and internal hazard indices, were also calculated. These data indicated that the area of study lies within areas recognized as normal background radiation and the granite rocks are safe to be used as building material and other structural purposes.

PIXE study on the effects of parathyroid hormone on elemental content in rat bones.

Parathyroid hormone (PTH) has attracted considerable interest as a bone anabolic agent. PTH plays a central role in regulating calcium phosphate metabolism and its increases in production in response to low serum calcium levels. A continuous hypersecretion of PTH, as occurs in primary hyperparathyroidism, leads to bone resorption. In this study, the effect of different doses of parathyroid hormone (PTH) on bone mineral content (BMC) in rats was investigated by particle-induced X-ray emission (PIXE). This study will help in investigating further the toxicity of extremely high doses of PTH on BMC. For this study, PTH at doses of 15, 45, or 135µg/kg/day were applied to 9-month-old male and female Sprague Dawley (SD) rats. The concentrations of calcium (Ca), phosphorus (P), strontium (Sr), and zinc (Zn) were measured for bone treatment of PTH. From the results of the research, it was revealed that the biomechanical characteristics of the bone as well as the bone mass were enhanced after the treatment. It was further found that the concentrations of other elements also increased, excluding Zn. This research proved that PTH assists in the treatment of osteoporosis as revealed by the characteristics of different elements. PIXE can be used to determine the concentrations of bone mineral content.

Radiation survey of aircraft and heavy machinery scrap.

This study was conducted primarily to survey aircraft and heavy machinery at 30 locations within Khartoum State using handheld radiation survey meters to detect and identify any radiation sources that might be present and to estimate radiation dose levels. The survey has resulted in detection of 16 sealed sources of (90)Sr and one of (226)Ra in aircraft scrap. Of course, (90)Sr sources are used in military aircraft as temperature sensors while (226)Ra is used for indicating fuel levels. These sources were found intact without spreading radioactivity contamination; however, none was detected in heavy machine scrap. The levels of radiation dose measured at 0.1m from the source fall within the range of 25.1-40.2 µSv/h with an average value of 33.52 ± 4.06 µSv/h. These orphan sources have been separated from the scrap, tested for possible leakage, conditioned and stored in waste management facility. The result of this study has revealed without doubt that the scrap constitute a serious source of public exposure and highlights the importance of legislation making radiation monitoring of scrap in the country mandatory before it is sold to metal industry for reprocessing.