Biodesulfurization of organosulfur compounds by a trehalose biosurfactant producing Gordonia sp. isolated from crude oil contaminated soil.

Certain factors hinder the commercialization of biodesulfurization process, including low substrate-specificity of the currently reported desulfurizing bacteria and restricted mass transfer of organic-sulfur compounds in biphasic systems. These obstacles must be addressed to clean organic-sulfur rich petro-fuels that pose serious environmental and health challenges. In current study, a dibenzothiophene desulfurizing strain, Gordonia rubripertincta W3S5 (source: oil contaminated soil) was systematically evaluated for its potential to remove sulfur from individual compounds and mixture of organic-sulfur compounds. Metabolic and genetic analyses confirmed that strain W3S5 desulfurized dibenzothiophene to 2-hydroxybiphenyl, suggesting that it follows the sulfur specific 4 S pathway. Furthermore, this strain demonstrated the ability to produce trehalose biosurfactants (with an EI24 of 53%) in the presence of dibenzothiophene, as confirmed by TLC and FTIR analyses. Various genome annotation tools, such as ClassicRAST, BlastKOALA, BV-BRC, and NCBI-PGAP, predicted the presence of otsA, otsB, treY, treZ, treP, and Trehalose-monomycolate lipid synthesis genes in the genomic pool of strain W3S5, confirming the existence of the OtsAB, TreYZ, and TreP pathways. Overall, these results underscore the potential of strain W3S5 as a valuable candidate for enhancing desulfurization efficiency and addressing the mass transfer challenges essential for achieving a scaled-up scenario.

Inter-Varietal Variation in Phenolic Profile, Antioxidant, Anti-Inflammatory and Analgesic Activities of Two Brassica rapa Varieties: Influence on Pro-Inflammatory Mediators.

The present research study aims to appraise the potential of polyphenol-rich extracts from two Brassica rapa varieties on antioxidant, anti-inflammatory and analgesic activities using carrageenan-induced paw edema model in rats. Methanol extracts of peels and pulps of Brassica rapa yellow root (BRYR) and Brassica rapa white root (BRWR) were prepared using the soxhlet extraction technique. All four extracts were analyzed by reversed-phase high-pressure liquid chromatography (RP-HPLC) for the polyphenols, and results showed that 10 phenolic acids and 4 flavonoids were detected. Gallic acid was the major phenolic acid (174.6-642.3 mg/100 g of dry plant material) while catechin was the major (34.45-358.5 mg/100 g of dry plant material) flavonoid detected in the extracts. The total phenolic contents (TPC) of BRYR peel, BRWR peel, BRYR pulp and BRWR pulp extracts were in the range of 1.21-5.01 mg/g of dry plant material, measured as GAE, whereas the total flavonoid contents (TFC) were found in the range of 0.90-3.95 mg/g of dry plant material, measured as QE. BRYR peel extract exhibited the best DPPH radical scavenging activity (IC50, 3.85 µg/mL) and reducing potential as compared with other extracts. The in vivo anti-inflammatory potential was assessed by carrageenan-induced rat paw edema, and the analgesic potential was investigated by a hot plate test. Suppression of biochemical inflammatory biomarkers including C-reactive protein (CRP), rheumatoid factor (RF) and tumor necrosis factor (TNF-α), and interleukin-6 (IL-6) concentration were also determined. Results showed that BRYR peel extracts reduced paw edema and suppressed the production of TNF-α, IL-6, CRP and RF most significantly, followed by BRWR peel, BRYR pulp and BRWR pulp extracts. In addition, histopathology observation also supports the anti-inflammatory effect of peel extracts as being greater than that of root pulp extracts. Moreover, it was observed that the analgesic effect of the root-peel extracts was also more pronounced as compared with root-pulp extracts. It can be concluded that BRYR peel extract has higher phenolic contents and showed higher suppression of TNF-α, IL-6, CRP and RF, with strong antioxidant, anti-inflammatory and analgesic effects.

Bioactivity-Guided Isolation and Antihypertensive Activity of Citrullus colocynthis Polyphenols in Rats with Genetic Model of Hypertension.

Background and Objectives: Citrullus colocynthis belongs to the Cucurbitaceae family and is a wild medicinal plant used in folk literature to treat various diseases. The purpose of the current study was to explore the antihypertensive and antioxidant potentials of Citrullus colocynthis (CC) polyphenol-rich fractions using a spontaneous hypertensive rat (SHR) model. Materials and Methods: The concentrated aqueous ethanol extract of CC fruit was successively fractioned using solvents of increasing polarity, i.e., hexane, chloroform, ethyl acetate and n-butanol. The obtained extracts were analyzed for total phenolic content (TPC), total flavonoid content (TFC) and total flavonol content (TOF). Moreover, the CC extracts were further evaluated for radical scavenging capacity using 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2-azino-bis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS) assays and antioxidant activity using inhibition of linoleic acid peroxidation and determination of reducing potential protocols. The phytochemical components were characterized by HPLC-MWD-ESI-MS in positive ionization mode. Results: The results showed that ethyl acetate fraction (EAF) exhibited a higher content of phenolic compounds in term of TPC (289 mg/g), TFC (7.6 mg/g) and TOF (35.7 mg/g). EAF showed higher antioxidant and DPPH and ABTS scavenging activities with SC50 values of 6.2 and 79.5 µg/mL, respectively. LCMS analysis revealed that twenty polyphenol compounds were identified in the EAF, including phenolic acids and flavonoids, mainly myricetin and quercetin derivatives. The in vivo antihypertensive activity of EAF of CC on SHR revealed that it significantly decreased the mean arterial pressure (MAP), systolic blood pressure (SBP), diastolic blood pressures (DBP) and pulse pressure (PP) as compared to normal and hypertensive control groups. Moreover, EAF of CC significantly reduced the oxidative stress in the animals in a dose-dependent manner by normalizing the levels of superoxide dismutase (SOD), malondialdehyde (MDA), reduced glutathione (GSH), nitric oxide (NOx) and total antioxidant capacity (TAC). Furthermore, the treatment groups, especially the 500 mg of EAF per kg body weight (EA-500) group, significantly (p ≤ 0.05) improved the electrocardiogram (ECG) pattern and pulse wave velocity (PWV). Conclusion: It was concluded that the EAF of CC is a rich source of polyphenols and showed the best antioxidant activity and antihypertensive potential in SHR.

Chemical Composition and Bioactivities of Essential Oil from Leaves of Syzygium cumini (L.) Skeels Native to Punjab, Pakistan.

Herbal medicines are widely used for the treatment of different types of diseases like skin and throat infections and other diseases in developing countries. Syzygium cumini (L.) Skeels fruit, leaves and bark were used for the remedies of different diseases anciently. The aim of the present study was to evaluate the chemical profile of Syzygium cumini leaves essential oil (EO) from Punjab, Pakistan. The essential oil was isolated using hydrodistillation technique and analyzed by gas chromatography (GC) and gas chromatography-mass spectrometry (GC/MS). Free radical scavenging capacity and antioxidant activity were assessed by using DPPH radical scavenging ability, inhibition of linoleic acid peroxidation, bleaching of ß-carotene in linoleic acid system and reducing power assays. Antimicrobial potential was assessed by disc diffusion assay and measurement of minimum inhibitory concentration (MIC) using resazurin microtiter-plate assay. The anti-heme biocrystallization activity of EO was also assessed. The major components (>3%) found in Syzygium cumini leaves EO were ß-farnesene (3.42 %), caryophyllenol (3.46 %), terpinen-4-ol (3.61 %), ß-myrcene (3.90 %), γ-cadinene (4.09 %), fenchol (4.22 %), cis-ß-ocimene (4.40 %) and 5-methyl-1,3,6-heptatriene (4.90 %). Excellent antioxidant, antimicrobial and weak antimalarial potential was observed. It can be concluded that Syzygium cumini leaves EO has potential application for food and pharmaceutical industries.

Fatty acids characterization and oxidative stability of spray dried designer egg powder.

BACKGROUND: Designer eggs (DEs) have gained positive importance in maintaining cholesterol level, triglyceride profile and protection towards cardiovascular diseases due to the presence of essential fatty acids (EFAs) such as omega-3 (or) n-3 fatty acids. However, extreme heat conditions effect the quality as well as quantity of EFAs during the production of designer egg dried powder (DEDP). Therefore, the main mandate of research was the development of DEDP and determination of spray drying conditions impact on fatty acids composition of DEDP samples. METHODS: The DEs were produced, collected, de-shelled, homogenized and diluted before spray drying to get fine powder. The spray drying of DEs was carried out using a laboratory spray drier. An experimental design was used for the drying parameters, where the inlet air temperature was varied (160, 180 and 200 °C), feed flow rate (200, 300 and 400 mL/hr), atomization speed (16,000, 20,000 and 24,000 rpm) and outlet air temperature (60, 70 and 80 °C) at different levels. For convenience of experimental design coding was used. The DEDP was collected in a single cyclone separator and was stored after packaging for consecutive 2 months at 25 °C and 4 °C, respectively. The powder yield was calculated from the collected dry mass in the collecting vessel divided by the processed whole egg diluted matter. The total lipids of DEDP samples were determined gravimetrically. The esters of fatty acids in each sample were prepared and analyzed through Gas Chromatograph apparatus. The oxidative stability of DEDP samples was estimated by following standard procedure of peroxide value. RESULTS: The powder yield of DEDP as a result of different operating conditions was found in the range of 30.06 ± 0.22 g/500 mL to 62.10 ± 0.46 g/500 mL DEs sample. The decreasing trend in moisture content (4.4 ± 0.16% towards 4.0 ± 0.09%) and total fat content (45 ± 0.65 g/100 g towards 41 ± 0.35 g/100 g) in DEDP samples was observed with increased inlet and outlet temperature while fat content increased at high feed flow rate and atomization speed. In this study, loss of PUFAs in DEDP samples was followed due to their active role regarding to human health. For alpha-linolenic (ALA) fatty acids, maximum value at 4 °C observed was 127.32 ± 0.27 mg/50 g egg and 124.43 ± 0.32 mg/50 g egg while the minimum value observed for ALA was 100.15 ± 0.09 mg/50 g egg and 97.15 ± 0.06 mg/50 g egg after 30 and 60 days storage, respectively. The significant decrease trend for eicosapentaenoic (EPA) fatty acids values from 11.78 ± 0.31 mg/50 g egg to 2.18 ± 0.14 mg/50 g egg at 25 °C under spray dried conditions of inlet air temperature (180 °C), feed flow rate (300 mL/hr), atomization speed (24,000 rpm) and outlet air temperature (80 °C) after 60 days storage period was noted. The docosahexaenoic (DHA) fatty acids value in DEDP was decreased from 15.49 ± 0.79 mg/50 g egg (0 day) to 10.10 ± 0.64 mg/50 g egg at 60 days (4 °C) and same decreasing trend was observed at 25 °C. The decreasing order for total omega-3 fatty acids retention in DEDP during storage intervals was found as 162.33 ± 1.64 mg/50 g egg > 158.61 ± 1.53 mg/50 g egg > 148.03 ± 1.57 mg/50 g egg (0, 30 and 60 days stored at 4 °C) and 162.33 ± 1.64 mg/50 g egg > 151.56 ± 1.54 mg/50 g egg > 135.89 ± 1.62 mg/50 g egg (0, 30 and 60 days stored at 25 °C). The peroxide value (PV) levels obtained in DEDP samples after 60 days were higher (0.78 ± 0.06, 0.81 ± 0.02 meq/kg O2) when compared to initial readings at 0 day (0.65 ± 0.04 meq/kg O2). The PV of DEDP samples reached their maximum peaks after 60 days at 25 °C. The increasing order showed that lipid oxidation increased with storage. However, the overall PV never exceeded the limit of 10 (meq/kg) considered as a threshold limit. CONCLUSIONS: Extreme hot conditions (> 180 °C) of spray dryer reduce the quality of designer egg dry powder. Extreme conditions assist PUFAs loss and decrease in storage stability due to high lipid oxidation.

Variation in Phenolic Profile, ß-Carotene and Flavonoid Contents, Biological Activities of Two Tagetes Species from Pakistani Flora.

The objective of present study was to evaluate the variation in phenolic profile, ß-carotene, flavonoid contents, antioxidant and antimicrobial properties of Tagetes erecta and Tagetes patula (T. erecta and T. patula) through different in vitro assays. Antioxidant activity was determined through 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging and inhibition of linoleic acid peroxidation assays and antibacterial and antifungal activities studied using the disc diffusion and resazurin microtiter-plate assays against bacterial and fungal strains. Moreover, total phenolics (TP), total carotenoids (TC) and total flavonoids (TF) were also determined. Highest (TP 35.8 mg GAE/g) and TF (16.9 mg CE/g) contents were found in MeOH extract of T. patula. T. erecta extract showed higher TC contents (6.45 mg/g) than T. patula extract (6.32 mg/g). T. erecta exhibited the highest DPPH radical-scavenging activity (IC50 ) (5.73 µg/mL) and inhibition of linoleic acid peroxidation (80.1%). RP-HPLC revealed the presence of caffeic acid, sinapic acid and ferulic acid in Tagetes extracts, m-coumaric acid in T. erecta whereas chlorogenic acid in T. patula extract only. Both extracts possessed promising antimicrobial activity compared to the ciprofloxacin and flumequine (+ve controls) against Bacillus subtilis and Alternaria alternate. Both extract were rich source of polyphenols exhibiting excellent biological activities.

(13)C-NMR-Based Metabolomic Profiling of Typical Asian Soy Sauces.

It has been a strong consumer interest to choose high quality food products with clear information about their origin and composition. In the present study, a total of 22 Asian soy sauce samples have been analyzed in terms of (13)C-NMR spectroscopy. Spectral data were analyzed by multivariate statistical methods in order to find out the important metabolites causing the discrimination among typical soy sauces from different Asian regions. It was found that significantly higher concentrations of glutamate in Chinese red cooking (CR) soy sauce may be the result of the manual addition of monosodium glutamate (MSG) in the final soy sauce product. Whereas lower concentrations of amino acids, like leucine, isoleucine and valine, observed in CR indicate the different fermentation period used in production of CR soy sauce, on the other hand, the concentration of some fermentation cycle metabolites, such as acetate and sucrose, can be divided into two groups. The concentrations of these fermentation cycle metabolites were lower in CR and Singapore Kikkoman (SK), whereas much higher in Japanese shoyu (JS) and Taiwan (China) light (TL), which depict the influence of climatic conditions. Therefore, the results of our study directly indicate the influences of traditional ways of fermentation, climatic conditions and the selection of raw materials and can be helpful for consumers to choose their desired soy sauce products, as well as for researchers in further authentication studies about soy sauce.

Removal of Heavy Metals by Adsorption onto Activated Carbon Derived from Pine Cones of Pinus roxburghii.

Activated carbon derived from cones of Pinus roxburghii (Himalayan Pine) was used as an adsorbent for the removal of copper, nickel and chromium ions from waste water. Surface analysis was carried out to determine the specific surface area and pore size distribution of the pine cone derived activated carbon. Optimal parameters, effect of adsorbent quantity, pH, equilibrium time, agitation speed and temperature were studied. Equilibrium data were evaluated by Langmuir and Freundlich isotherm models. Langmuir isotherm afforded the best fit to the equilibrium data with a maximum adsorption capacity of 14.2, 31.4 and 29.6 mg/g for Cu(II), Ni(II) and Cr(VI) respectively. Maximum adsorption of Cu(II), Ni(II) was observed in the pH range 4.0 to 4.5, whereas the best adsorption of Cr(VI) was observed at pH 2.5. It was found that 180 minutes was sufficient to gain adsorption equilibrium. The adsorption process follows a pseudo-second-order kinetic model.

Effects of polyphenol-rich traditional herbal teas on obesity and oxidative stress in rats fed a high-fat-sugar diet.

Hibiscus rosa-sinensis and Zingiber officinalis teas are traditionally used for the therapies of various diseases, including obesity. The present research work was planned to appraise the potential of polyphenol-rich extracts of selected herbal plants in obesity and related biochemical parameters of high-fat-sugar diet-induced obese rats. Three herbal teas were prepared from Hibiscus rosa-sinensis flowers and Zingiber officinalis rhizomes and their mixture (3:1, respectively). Total phenolic contents (TPC) of Hibiscus rosa-sinensis and Zingiber officinalis extracts were found to be 5.82 and 1.45 mg/g of dry plant material, measured as GAE, while total flavonoid contents (TFC) were 9.17 and 1.95 mg/g of dry plant material, measured as CE, respectively. Two doses (250 and 500 mg/kg BW) of each tea were administered and body weight, BMI, kidney, liver, and atherogenic indices, TC, TG, HDL, LDL, VLDL, BT, AST, ALT, AP, SC, MDA, SOD, GSH, and TAC of rats groups were measured. Data showed that higher doses of Hibiscus rosa-sinensis significantly reduced the rat's BMI (0.50 g/cm2) in comparison with the high-fat-sugar diet group (0.79 g/cm2). All treatment groups, especially H-500 group, showed a significant decrease in the elevated kidney and liver weights and atherogenic index in comparison with HFSDC groups. Higher doses of Hibiscus rosa-sinensis significantly decreased the levels of AST, ALT, AP, and SC in comparison with the HFSDC group. A significant decrease in the levels of serum TC, TG, LDL, and VLDL was observed in all the treatment groups in comparison with the HFSDC group. Furthermore, all the teas, especially higher doses of Hibiscus rosa-sinensis, prevented the alterations in MDA, SOD, and GSH levels of experimental groups, thus showing the potential against oxidative stress. It can be concluded from these results that Hibiscus rosa-sinensis teas exhibited strong protective effects against obesity and oxidative stress, especially at higher doses.

Fagonia arabica L.: A Review of its Phytochemistry, Pharmacology and Traditional Uses.

BACKGROUND: Fagonia arabica, belonging to family Zygophyllaceae, is a medicinal plant widely distributed in the desert areas of the world, including Saudi Arabia, Pakistan, India and South Africa. The present review aims to explore the published information on the traditional uses, ethnobotanical knowledge, phytochemistry and various biological activities like antioxidant, antimicrobial, thrombolytic activities and anticoagulant effects of Fagonia arabica with critical analysis on the gaps and future perspectives. METHOD: A literature survey was performed by searching the digital libraries and the scientific databases including Scopus, Google Scholar, SciFinder, ACS, Web of Science and published books. RESULTS: Fagonia arabica plant has been reported to have a wide range of traditional uses in sore mouth, smallpox, hematological, neurological, endocrinological, inflammatory, cooling agent in stomatitis, vertigo and endothermic reaction in the body. Several bioactive constituents, including glycosides, flavonoids, terpenoids, saponins, alkaloids and trace elements, were recorded from Fagonia arabica plant. The isolation and identification of two flavonoid glycosides (kaempferol-7- O-rhamnoside and acacetin-7-O-rhamnoside) were also reported. Fagonia arabica has been studied for its wide range of biological activities, which include antioxidant, antimicrobial, cardioprotective and anticoagulant. CONCLUSION: It is apparent from the literature that Fagonia arabica plant possesses a wide range of medicinal and pharmacological uses and has been studied for its various pharmacological activities and medicinal applications. Critical analysis reveals that the plant has huge potential for pharmaceutical and pharmacological applications.

Variation in Phenolic Profile, Antioxidant, and Anti-Inflammatory Activities of Salvadora oleoides Decene. and Salvadora persica L. Fruits and Aerial Part Extracts.

(1) Background: The objective of this study was to investigate the potential of Salvadora oleoides (S. oleoides) and Salvadora persica (S. persica) polyphenols as antioxidant and anti-inflammatory agents. (2) Methods: Aerial parts and fruits of S. oleoides and S. persica were collected from the periphery of District Bhakkar, Punjab, Pakistan. Methanol extracts were prepared using the Soxhlet extraction technique. Extract yield varied from 8.15 to 19.6 g/100 g dry plant material. RP-HPLC revealed the detection of thirteen phenolic aids and five flavonoids. Gallic acid, hydroxy benzoic acid, chlorogenic acid, and cinamic acid were the major phenolic acids, whereas catechin, rutin, and myricetin were the flavonoids detected. (3) Results: Maximum total phenolic contents (TPCs) (22.2 mg/g of dry plant material) and total flavonoid contents (TFCs) (6.17 mg/g of dry plant material) were found in the fruit extract of S. persica, and the minimum TPC (11.9 mg/g) and TFC (1.72 mg/g) were found in the aerial part of S. oleoides. The fruit extract of S. persica showed the highest DPPH radical scavenging activity. In vivo anti-inflammatory activity of all the extracts was performed on albumin-induced rat paw edema that was comparable with the standard indomethacin; S. persica fruit extract showed remarkable anti-inflammatory activity. Analgesic activity of aerial part and fruit extracts of S. oleoides and S. persica was investigated using a mouse model, and the results showed that maximum possible analgesia of fruit extracts of S. persica was 53.44%, which is better than the PC group (52.98%). (4) Conclusions: The variations in the antioxidant, anti-inflammatory, and analgesic activities of methanolic extracts of S. oleoides and S. persica were found to be significant, and they have therapeutic potential as antioxidant, analgesic, and anti-inflammatory agents.

Antioxidant, Anti-Obesity, and Hypolipidemic Effects of Polyphenol Rich Star Anise (Illicium verum) Tea in High-Fat-Sugar Diet-Induced Obesity Rat Model.

Star anise (Illicium verum Hook. fil.) is commonly utilized as a culinary and medicinal fruit and is most famous in indigenous systems of medicine. The present research work aims to appraise and validate the potential of polyphenol-rich star anise tea (SAT) on oxidative stress, obesity and related biochemical parameters in high-fat-sugar-diet (HFSD)-induced obesity model in rats. SAT was prepared using the traditional method in warm water. The Reverse Phase High Pressure Liquid Chromatography (RP-HPLC) analysis was performed for the simultaneous determination of phenolic acids and flavonoids in SAT. Two doses (250 and 500 mg/kg body weight) were selected to investigate the anti-obesity potential of SAT using HFSD-induced obese rat model. Major (>5 mg/100 mL) phenolic acids in SAT were p-coumeric acid, gallic aid, cinamic acid, chlorogenic acid and ferulic acid while catechin and rutin were the major flavonoids detected in the SAT. SAT exhibited 51.3% DPPH radical scavenging activity. In vivo study showed that higher doses of SAT (500 mg/kg body weight) significantly reduced the body weight increase (74.82%) and BMI (0.64 g/cm2). Moreover, significant reductions in the levels of serum total cholesterol, triglyceride, LDL and VLDL were recorded in all the treatment groups in comparison to the HFSDC group. Furthermore, SAT reduced the alterations in MDA, SOD and GSH levels of experimental groups thus showing the potential against oxidative stress. The SAT-500 group showed a significant decrease in the elevated kidney and liver weights and atherogenic index in comparison to the HFSDC group. The present study proved that SAT exhibited strong protective effects against obesity and oxidative stress, especially at higher doses.

Variation in the Primary and Secondary Metabolites, Antioxidant and Antibacterial Potentials of Tomatoes, Grown in Soil Blended with Different Concentration of Fly Ash.

The aim of the study was to investigate the variation in nutritional composition, antioxidant, and antibacterial activities of tomatoes grown in fly ash blended soils, i.e.,T1 (soil 100% + 0% fly ash), T2 (soil 75%+ 25% fly ash), and T3 (soil 50% + 50% fly ash) soils. The tomato samples were harvested and screened for their proximate analysis, mineral composition, vitamin C contents, phenolic profile, and antioxidant and antibacterial activities. Results showed that T3 soil crop has high proximate composition, vitamin C, and phenolic contents as compared with T2 and T1 soil crops. Furthermore, significant variation in the elements analysis was observed in the crops grown in T1, T2, and T3 soils. T3 soil crop exhibited better antioxidant activity in term of total phenolic contents (TPC), total flavonoids contents (TFC), DPPH radical scavenging capacity, and ferric reducing potential as compared with T2 and T1 soil crops. Similarly, maximum inhibition zones were observed for T3 soil crop when tested for Staphylococcus aureus isolate 1 and 3 and methicillin-resistant Staphylococcus aureus (MRSA). In conclusion, the crop grown in T3 blended soil had high antioxidant and antibacterial potentials and better nutritional composition.

Chitosan-based Dy2O3/CuFe3O4 bio-nanocomposite development, characterization, and drug release kinetics.

Chitosan (CS)/metal oxide (MO) nano-carriers have recently attracted attention due to their great integration into several biomedical applications. Herein, CS and dysprosium oxide based bio-nanocomposites (Dy2O3/CuFe3O4/CS) were prepared using a citrate sol-gel route for biomedical settings at large and drug delivery, in particular. The chemical structure, average crystallite size, and surface morphology of Dy2O3/CuFe3O4/CS bio-nanocomposites were characterized using spectroscopic techniques, including FT-IR, PXRD, and SEM. The prepared nano composite's drug loading or release kinetics were investigated by FT-IR, zeta potential (ZP), and ultraviolet-visible spectroscopy (UV-Vis). In the FT-IR spectrum, the peaks in the range of 800-400 cm-1 confirmed the formation of meta-oxides, while amide bands at 1661 and 1638 cm-1 revealed the existence of CS in the bio-nanocomposite. The peaks at 2θ = 35.46 and 28.5, 39.4 indicated the presence and chemical interaction of Dy2O3 and CuFe3O4, respectively. The crystallite size was <20 nm. The model drug used in the loading and in vitro release assays was ciprofloxacin hydrochloride. Ciprofloxacin's CF stretch caused a modest peak to be seen at 1082 cm-1 and changed in zeta potential value from 7.90 mV to 8.88 mV endorsing that the drug had been loaded onto the nanomaterial. The loading efficiency (%) of CIP onto the composite was from 25 to 30 %, calculated from optical density measurements. Different kinetic models, such as zero-order, first-order, Higuchi, Hixon-Crowell, and Korsmeyer-Peppas, were determined to confirm the drug release mechanism. The percent (%) of drug release from the surface of Dy2O3/CuFe3O4/CS in PBS (pH 7.4), acidic (pH 2.2) and basic (pH 9.4) dissolution media were found to be 70, 28 and 20 %, respectively. Drug kinetics showed that mainly the release is fickian type followed "Fick's law of diffusion", slightly deviated from fickian release (dissolution-dependent system). Korsmeyer-Peppas (R2 0.9773, n < 0.4) and Higuchi's (R2 0.9846) models were the best for fitting controlled drug release data. The results revealed that the Dy2O3/CuFe3O4/CS bio-nanocomposite has good potential for a controlled drug delivery system.

In Silico Designing of Mg12O12 Nanoclusters with a Late Transition Metal for NO2 Adsorption: An Efficient Approach toward the Development of NO2 Sensing Materials.

Gas sensors are widely used for detection of environmental pollution caused by various environmental factors such as road traffic and combustion of fossil fuels. Nitrogen dioxide (NO2) is one of the leading pollutants of the present age, which causes a number of serious health issues including acute bronchitis, cough, and phlegm, particularly in children. Nowadays, researchers are focused on designing new sensor materials for detection and removal of NO2 from the environment. In this line, we have made an attempt to design NO2 sensing materials by using theoretical techniques. Here, we have reported decoration of Mg12O12 nanoclusters with a late transition metal (Cu) by employing density functional theory at the B3LYP/6-31G(d,p) basis set. The decoration of metal on Mg12O12 gives two geometries (M1 and M2) with adsorption energies of -363.81 and -384.09 kJ/mol, respectively. Adsorption of NO2 on pristine Mg12O12 expressed an adsorption energy value of -62.36 kJ/mol. Adsorption of NO2 on Cu-decorated Mg12O12 nanocages delivered two geometries (N1 and N2) with adsorption energies of -442.56 and -447.64 kJ/mol. Metal-decorated Mg12O12 nanoclusters offer better adsorption of NO2 as compared to pristine Mg12O12 . Adsorption of NO2 on Cu-Mg12O12 nanoclusters also causes narrowing of band gap of magnesium oxide nanoclusters. Large dipole moment, high Q NBO with large electrophilic index in NO2-Cu-Mg12O12 nanoclusters suggested that metal-decorated Mg12O12 nanoclusters are efficient candidates for NO2 adsorption. Different geometric parameters and results of global reactivity descriptors show that NO2-Cu-Mg12O12 nanoclusters are quite stable in nature with least reactivity. Thus, conceptualized systems are potential candidates for applications in NO2 sensing materials.

A Theoretical Framework of Zinc-Decorated Inorganic Mg12O12 Nanoclusters for Efficient COCl2 Adsorption: A Step Forward toward the Development of COCl2 Sensing Materials.

Gas sensors are widely explored due to their remarkable detection efficiency for pollutants. Phosgene is a toxic gas and its high concentration in the environment causes some serious health problems like swollen throat, a change in voice, late response of nervous systems, and many more. Therefore, the development of sensors for quick monitoring of COCl2 in the environment is the need of the time. In this aspect, we have explored the adsorption behavior of late transition metal-decorated Mg12O12 nanoclusters for COCl2. Density functional theory at the B3LYP/6-31G(d,p) level is used for optimization, frontier molecular orbital analysis, dipole moment, natural bonding orbitals, bond lengths, adsorption energies, and global reactivity descriptor analysis. Decoration of Zn on pure Mg12O12 delivered two geometries named as Y1 and Y2 with adsorption energy values of -388.91 and -403.11 kJ/mol, respectively. Adsorption of COCl2 on pure Mg12O12 also delivered two geometries (X1 and X2) with different orientations of COCl2. The computed adsorption energy values of X1 and X2 are -44.92 and -71.32 kJ/mol. However, adsorption of COCl2 on Zn-decorated Mg12O12 offered two geometries named as Z1 and Z2 with adsorption energy values of -455.22 and -419.04 kJ/mol, respectively. These adsorption energy values suggested that Zn decoration significantly enhances the adsorption capability of COCl2 gas. Further, the narrow band gap and large dipole moment values of COCl2-adsorbed Zn-decorated Mg12O12 nanoclusters suggested that designed systems are efficient candidates for COCl2 adsorption. Global reactivity indices unveil the great natural stability and least reactivity of designed systems. Results of all analyses suggested that Zn-decorated Mg12O12 nanoclusters are efficient aspirants for the development of high-performance COCl2 sensing materials.

Synthesis and Characterization of Na-Zeolites from Textile Waste Ash and Its Application for Removal of Lead (Pb) from Wastewater.

Massive production of carcinogenic fly ash waste poses severe threats to water bodies due to its disposal into drains and landfills. Fly ash can be a source of raw materials for the synthesis of adsorbents. Rag fly ash as a new class of raw materials could be a cheap source of Al and Si for the synthesis of Na-zeolites. In this work, NaOH activation, via a prefusion- and postfusion-based hydrothermal strategy, was practiced for the modification of rag fly ash into Na-zeolite. Morphology, surface porosity, chemical composition, functionality, mineral phases, and crystallinity, in conjunction with ion exchangeability of the tailored materials, were evaluated by SEM, ICP-OES, XRF, FTIR, XRD, and cation exchange capacity (CEC) techniques. Rag fly ash and the synthesized Na-zeolites were applied for the removal of Pb (II) from synthetic wastewater by varying the reaction conditions, such as initial metal ion concentration, mass of adsorbent, sorption time, and pH of the reaction medium. It was observed that Na-zeolite materials (1 g/100 mL) effectively removed up to 90-98% of Pb (II) ions from 100 mg/L synthetic solution within 30 min at pH ≈ 8. Freundlich adsorption isotherm favors the multilayer heterogeneous adsorption mechanism for the removal of Pb (II). It is reasonable to conclude that recycling of textile rag fly ash waste into value-added Na-zeolites for the treatment of industrial wastewater could be an emergent move toward achieving sustainable and green remediation.

Efficacy of Zn-Aspartate in comparison with ZnSO4 and L-Aspartate in amelioration of drought stress in maize by modulating antioxidant defence; osmolyte accumulation and photosynthetic attributes.

Human population is exceeding beyond the carrying capacity of earth resources and stresses like water shortage faced by the plants is jeopardizing the food security. Current research study was aimed to investigate the potentials of Zn-Aspartate (Zn-Asp), Zn-Sulphate (ZnSO4) and L-Aspartate (L-Asp) to be used as osmolytes and role of various levels of these chemicals in combating drought stress in maize plants in Punjab, Pakistan. Study was performed on two plots corresponding to drought and controlled environments. The lamina of maize plants was sprinkled row wise with various treatments including No spray (NS), water sprinkle (WS), sprinkle with ZnSO4 0.25% and 0.50%, sprinkle with Zn-Asp 0.25% and 0.50% and Foliar sprinkle of L-Asp 0.5% and 1%, respectively. Role of major osmoprotectants and secondary metabolites was analyzed and positive changes were found in total soluble sugars (41.16), flavonoids (5387.74), tocopherol content (9089.18), ascorbic acid (645.27) and anthocyanin (14.84) conc. which assists in mitigating drought menace on maize. Shoot mineral ions (Ca, K, Zn, P, Mg and N) status of water stressed maize plants was also analyzed and it was found that application experimental dose enhanced their availability to crop. Physio-biochemical studies were performed on antioxidants enzymes like superoxide dismutase (SOD), peroxidase (POD), carotenoid content (CC), malondialdehyde, hydrogen peroxide, aspartate and free amino acid contents. The activity of SOD was increased by 28.5% and activity of POD was increased by 33.33% due to foliar applied 0.5% Zn-Asp under drought stress. Photosynthetic pigments (chlorophyll A, B and total chlorophyll content) analysis was also carried out in this study. It was found that conc. of different chlorophylls pigments increased (chl-A: 2.24, chl-B: 25.12, total chl: 24.30) which enhanced photosynthetic activity culminating into better growth and yield). The level of malondialdehyde and hydrogen peroxide decreased by 43.9% and 32.8% respectively on treatment with 0.5% Zn-Asp proving the efficacy of the treatment in drought amelioration. Study reveals that Zn-Asp induced modulations are far better than conventional sulphate salts in mitigating water scarce environment. Current study recommends the use of the Zn-Asp to meet the global food and agricultural challenges as compared to ZnSO4 and L-Asp due to its better drought amelioration properties. This research provides valuable informations which can used for future research and practical use in agriculture fields by indigenous and other people to enhance yield of maize to meet the food necessities of country.

Rosmarinus officinalis essential oil: antiproliferative, antioxidant and antibacterial activities.

The aim of this work was to investigate and compare the antiproliferative, antioxidant and antibacterial activities of Rosmarinus officinalis essential oil, native to Pakistan. The essential oil content from the leaves of R. officinalis was 0.93 g 100g(-1). The GC and GC-MS analysis revealed that the major components determined in R. officinalis essential oil were 1,8-cineol (38.5%), camphor (17.1%), α-pinene (12.3%), limonene (6.23%), camphene (6.00%) and linalool (5.70%). The antiproliferative activity was tested against two cancer (MCF-7 and LNCaP) and one fibroblast cell line (NIH-3T3) using the MTT assay, while, the antioxidant activity was evaluated by the reduction of 2, 2-diphenyl-1-picryl hydrazyl (DPPH) and measuring percent inhibition of peroxidation in linoleic acid system. The disc diffusion and modified resazurin microtitre-plate assays were used to evaluate the inhibition zones (IZ) and minimum inhibitory concentration (MIC) of R. officinalis essential oil, respectively. It is concluded from the results that Rosmarinus officinalis essential oil exhibited antiproliferative, antioxidant and antibacterial activities.

Designing Novel Zn-Decorated Inorganic B12P12 Nanoclusters with Promising Electronic Properties: A Step Forward toward Efficient CO2 Sensing Materials.

Gas sensing materials have been widely explored recently owing to their versatile environmental and agriculture monitoring applications. The present study advocates the electronic response of Zn-decorated inorganic B12P12 nanoclusters to CO2 gas. Herein, a series of systems CO2-Zn-B12P12 (E1-E4) are designed by adsorption of CO2 on Zn-decorated B12P12 nanoclusters, and their electronic properties are explored by density functional theory. Initially, placement of Zn on B12P12 delivers four geometries named as D1-D4, with adsorption energy values of -57.12, -22.94, -21.03, and -14.07 kJ/mol, respectively, and CO2 adsorption on a pure B12P12 nanocage delivers one geometry with an adsorption energy of -4.88 kJ/mol. However, the interaction of CO2 with D1-D4 systems confers four geometries named as E1 (E ad = -75.12 kJ/mol), E2 (E ad = -25.89 kJ/mol), E3 (E ad = -42.43 kJ/mol), and E4 (E ad = -28.73 kJ/mol). Various electronic parameters such as dipole moment, molecular electrostatic potential analysis, frontier molecular orbital analysis, Q NBO, global descriptor of reactivity, and density of states are also estimated in order to understand the unique interaction mechanism. The results of these analyses suggested that Zn decoration on B12P12 significantly favors CO2 gas adsorption, and a maximum charge separation is also noted when CO2 is adsorbed on the Zn-B12P12 nanocages. Therefore, the Zn-decorated B12P12 nanocages are considered as potential candidates for application in CO2 sensors.