Quantification of toxic metals in chicken egg and chicken feed via SOM-artificial neural network.

Poultry products such as meat and eggs are rich sources of proteins, vitamins, and minerals. It is a good indicator of healthy food. Keeping in view, the present study is designed to evaluate the prevalence of toxic heavy metals (lead, nickel, cadmium, and chromium) in chicken eggs and feed. For this purpose, five samples of egg and feed were collected from five different commercial markets in Skardu City. Each sample was prepared using the wet digestion method and analyzed using a flame atomic absorption spectrophotometer. The results showed that lead, nickel, and chromium were present in varying amounts in the feed and egg, with nickel being the most concentrated metal, followed by lead and chromium in egg samples, while the feed samples showed the highest concentration of chromium followed by lead and nickel. However, concentrations of selected heavy metals except cadmium were all above the permissible limit of the World Health Organization. The self-organizing map-artificial neural network is employed for the identification of patterns of heavy metals in chicken feed and egg samples. The lower left neurons of the maps showed higher heavy metal concentrations found in samples taken from Bazar, whereas the rest of the samples showed varied concentrations. A comparison of feed and egg concentrations showed that nickel concentration was lower in feed samples than in egg samples. The lead concentration decreased in eggs except in the Krasmathang feed sample. Chromium concentration presented a negative correlation due to the extremely high concentration found in the Bazar feed sample.

Mesoporous NiCo2S4nanoflakes as an efficient and durable electrocatalyst for non-enzymatic detection of cholesterol.

The detection of cholesterol is very crucial in clinical diagnosis for rapid and accurate monitoring of multiple disease-biomarkers. There is a great need for construction of a highly reliable and stable electrocatalyst for the efficient detection of cholesterol. In this work, mesoporous NiCo2S4nanoflakes of enhanced electrochemical properties are prepared through a facile hydrothermal approach. The developed nanoflakes modified nickel foam electrode exhibits outstanding electrocatalytic properties for the detection of cholesterol with high selectivity. The electrode displays excellent sensitivity of 8623.6µA mM-1cm-2, in the wide linear range from 0.01 to 0.25 mM with a low detection limit of 0.01µM. In addition, NiCo2S4structure reveals good thermal stability and reproducibility over a period of 8 weeks. Moreover, the nanoflakes show good response for detection of cholesterol in real samples. Our results demonstrate the potential use of NiCo2S4as a catalyst for the development of cost-effective electrochemical sensors for medical and industrial applications.

Oxygen vacancies boosted vanadium doped ZnO nanostructures-based voltage-switchable binary biosensor.

The development of a reliable non-enzymatic multi-analyte biosensor is remained a great challenge for biomedical and industrial applications. In this prospective, rationally designed electrode materials having voltage switchable electrocatalytic properties are highly promising. Here, we report vanadium doped ZnO engineered nanostructures (Zn1-xVxO where 0 ≤ x ≤ 0.1) which exhibit voltage switchable electrocatalytic properties for accurate measurements of glucose and hydrogen peroxide. Microstructures and chemical analysis show that the oxygen vacancies in the material can be tuned by controlling the stoichiometric ratios which play key role for voltage dependent measurements of different analytes. The developed Zn1-xVxO nanostructures exhibit outstanding sensing ability for binary analytes with a high selectivity, low detection limit, thermal stability and long-term stability. The Zn0.9V0.1O/glassy carbon (GC) electrode shows 3-fold increase in reproducible sensitivity for both glucose (655.24µA mM-1cm-2) and H2O2(13309.37µA mM-1cm-2) as compared to the pristine ZnO/GC electrode. Moreover, the electrode also shows good response for human blood serum and commercially available samples. The results demonstrate that defect engineering is a promising route for the development of cost-effective non-enzymatic multi-analyte sensors for practical applications.

Synthesis of indole-based-thiadiazole derivatives as a potent inhibitor of α-glucosidase enzyme along with in silico study.

A series of nineteen (1-19) indole-based-thiadiazole derivatives were synthesized, characterized by 1HNMR, 13C NMR, MS, and screened for α-glucosidase inhibition. All analogs showed varied α-glucosidase inhibitory potential with IC50 value ranged between 0.95 ± 0.05 to 13.60 ± 0.30 µM, when compared with the standard acarbose (IC50 = 1.70 ± 0.10). Analogs 17, 2, 1, 9, 7, 3, 15, 10, 16, and 14 with IC50 values 0.95 ± 0.05, 1.10 ± 0.10, 1.30 ± 0.10, 1.60 ± 0.10, 2.30 ± 0.10, 2.30 ± 0.10, 2.80 ± 0.10, 4.10 ± 0.20 and 4.80 ± 0.20 µM respectively showed highest α-glucosidase inhibition. All other analogs also exhibit excellent inhibitory potential. Structure activity relationships have been established for all compounds primarily based on substitution pattern on the phenyl ring. Through molecular docking study, binding interactions of the most active compounds were confirmed. We further studied the kinetics study of analogs 1, 2, 9 and 17 and found that they are Non-competitive inhibitors.

Synthetic nicotinic/isonicotinic thiosemicarbazides: In vitro urease inhibitory activities and molecular docking studies.

Nicotinic and isonicotinic thiosemicarbazide or hydrazine carbothioamides 3-27 were synthesized and the structures of synthetic compounds were elucidated by various spectroscopic techniques such as EI-MS, 1H-, and 13C NMR. Synthetic derivatives were evaluated for their urease inhibitory activity which revealed that except few all derivatives demonstrated excellent inhibition in the range of IC50 values of 1.21-51.42 µM as compared to the standard thiourea (IC50 = 21.25 ±â€¯0.13 µM). Among the twenty-five synthetic derivatives nineteen 1-5, 7, 8, 10, 12, 14-18, 20-22, 24-27 were found to be more active showing IC50 values between 1.13 and 19.74 µM showing superior activity than the standard. Limited structure-activity relationship demonstrated that the positions of substituent as well as position of nitrogen in pyridine ring are very important for inhibitory activity of this class of compound. To verify these interpretations, in silico study was also performed. A good correlation was obtained between the biological evaluation of active compounds and docking study.

5-Bromo-2-aryl benzimidazole derivatives as non-cytotoxic potential dual inhibitors of α-glucosidase and urease enzymes.

On the basis of previous report on promising α-glucosidase inhibitory activity of 5-bromo-2-aryl benzimidazole derivatives, these derivatives were further screened for urease inhibitory and cytotoxicity activity in order to get more potent and non-cytotoxic potential dual inhibitor for the patients suffering from diabetes as well as peptic ulcer. In this study, all compounds showed varying degree of potency in the range of (IC50=8.15±0.03-354.67±0.19µM) as compared to standard thiourea (IC50=21.25±0.15µM). It is worth mentioning that derivatives 7 (IC50=12.07±0.05µM), 8 (IC50=10.57±0.12µM), 11 (IC50=13.76±0.02µM), 14 (IC50=15.70±0.12µM) and 22 (IC50=8.15±0.03µM) were found to be more potent inhibitors than standard. All compounds were also evaluated for cytotoxicity towards 3T3 mouse fibroblast cell line and found to be completely non-toxic. Previously benzimidazole 1-25 were also showed α-glucosidase inhibitory potential. In silico studies were performed on the lead molecules i.e.2, 7, 8, 11, 14, and 22, in order to rationalize the binding interaction of compounds with the active site of urease enzyme.

Range-Wide Snow Leopard Phylogeography Supports Three Subspecies.

The snow leopard, Panthera uncia, is an elusive high-altitude specialist that inhabits vast, inaccessible habitat across Asia. We conducted the first range-wide genetic assessment of snow leopards based on noninvasive scat surveys. Thirty-three microsatellites were genotyped and a total of 683 bp of mitochondrial DNA sequenced in 70 individuals. Snow leopards exhibited low genetic diversity at microsatellites (AN = 5.8, HO = 0.433, HE = 0.568), virtually no mtDNA variation, and underwent a bottleneck in the Holocene (∼8000 years ago) coinciding with increased temperatures, precipitation, and upward treeline shift in the Tibetan Plateau. Multiple analyses supported 3 primary genetic clusters: (1) Northern (the Altai region), (2) Central (core Himalaya and Tibetan Plateau), and (3) Western (Tian Shan, Pamir, trans-Himalaya regions). Accordingly, we recognize 3 subspecies, Panthera uncia irbis (Northern group), Panthera uncia uncia (Western group), and Panthera uncia uncioides (Central group) based upon genetic distinctness, low levels of admixture, unambiguous population assignment, and geographic separation. The patterns of variation were consistent with desert-basin "barrier effects" of the Gobi isolating the northern subspecies (Mongolia), and the trans-Himalaya dividing the central (Qinghai, Tibet, Bhutan, and Nepal) and western subspecies (India, Pakistan, Tajikistan, and Kyrgyzstan). Hierarchical Bayesian clustering analysis revealed additional subdivision into a minimum of 6 proposed management units: western Mongolia, southern Mongolia, Tian Shan, Pamir-Himalaya, Tibet-Himalaya, and Qinghai, with spatial autocorrelation suggesting potential connectivity by dispersing individuals up to ∼400 km. We provide a foundation for global conservation of snow leopard subspecies, and set the stage for in-depth landscape genetics and genomic studies.

Synthesis, in vitro α-glucosidase inhibitory activity and molecular docking studies of new thiazole derivatives.

Current study based on the synthesis of new thiazole derivatives via "one pot" multicomponent reaction, evaluation of their in vitro α-glucosidase inhibitory activities, and in silico studies. All synthetic compounds were fully characterized by (1)H NMR, (13)C NMR and EIMS. CHN analysis was also performed. These newly synthesized compounds showed activities in the range of IC50=9.06±0.10-82.50±1.70µM as compared to standard acarbose (IC50=38.25±0.12µM). It is worth mentioning that most of the compounds such as 1 (IC50=23.60±0.39µM), 2 (IC50=22.70±0.60µM), 3 (IC50=22.40±0.32µM), 4 (IC50=26.5±0.40µM), 6 (IC50=34.60±0.60µM), 7 (IC50=26.20±0.43µM), 8 (IC50=14.06±0.18µM), 9 (IC50=17.60±0.28µM), 10 (IC50=27.16±0.41µM), 11 (IC50=19.16±0.19µM), 12 (IC50=9.06±0.10µM), 13 (IC50=12.80±0.21µM), 14 (IC50=11.94±0.18µM), 15 (IC50=16.90±0.20µM), 16 (IC50=12.60±0.14µM), 17 (IC50=16.30±0.29µM), and 18 (IC50=32.60±0.61µM) exhibited potent inhibitory potential. Molecular docking study was performed in order to understand the molecular interactions between the molecule and enzyme. Newly identified α-glucosidase inhibitors except few were found to be completely non-toxic.

Triazinoindole analogs as potent inhibitors of α-glucosidase: synthesis, biological evaluation and molecular docking studies.

A new series of triazinoindole analogs 1-11 were synthesized, characterized by EI-MS and (1)H NMR, evaluated for α-glucosidase inhibitory potential. All eleven (11) analogs showed different range of α-glucosidase inhibitory potential with IC50 value ranging between 2.46±0.008 and 312.79±0.06 µM when compared with the standard acarbose (IC50, 38.25±0.12 µM). Among the series, compounds 1, 3, 4, 5, 7, 8, and 11 showed excellent inhibitory potential with IC50 values 2.46±0.008, 37.78±0.05, 28.91±0.0, 38.12±0.04, 37.43±0.03, 36.89±0.06 and 37.11±0.05 µM respectively. All other compounds also showed good enzyme inhibition. The binding modes of these analogs were confirmed through molecular docking.

Synthesis, in vitro evaluation and molecular docking studies of thiazole derivatives as new inhibitors of α-glucosidase.

A series of thiazole derivatives 1-21 were prepared, characterized by EI-MS and (1)H NMR and evaluated for α-glucosidase inhibitory potential. All twenty one derivatives showed good α-glucosidase inhibitory activity with IC50 value ranging between 18.23±0.03 and 424.41±0.94µM when compared with the standard acarbose (IC50, 38.25±0.12µM). Compound (8) (IC50, 18.23±0.03µM) and compound (7) (IC50=36.75±0.05µM) exhibited outstanding inhibitory potential much better than the standard acarbose (IC50, 38.25±0.12µM). All other analogs also showed good to moderate enzyme inhibition. Molecular docking studies were carried out in order to find the binding affinity of thiazole derivatives with enzyme. Studies showed these thiazole analogs as a new class of α-glucosidase inhibitors.

Evaluation of bisindole as potent ß-glucuronidase inhibitors: synthesis and in silico based studies.

Bisindole analogs 1-17 were synthesized and evaluated for their in vitro ß-glucuronidase inhibitory potential. Out of seventeen compounds, the analog 1 (IC50=1.62±0.04 µM), 6 (IC50=1.86±0.05 µM), 10 (IC50=2.80±0.29 µM), 9 (IC50=3.10±0.28 µM), 14 (IC50=4.30±0.08 µM), 2 (IC50=18.40±0.09 µM), 19 (IC50=19.90±1.05 µM), 4 (IC50=20.90±0.62 µM), 7 (IC50=21.50±0.77 µM), and 3 (IC50=22.30±0.02 µM) showed superior ß-glucuronidase inhibitory activity than the standard (d-saccharic acid 1,4-lactone, IC50=48.40±1.25 µM). In addition, molecular docking studies were performed to investigate the binding interactions of bisindole derivatives with the enzyme. This study has identified a new class of potent ß-glucouronidase inhibitors.

Synthesis and ß-glucuronidase inhibitory activity of 2-arylquinazolin-4(3H)-ones.

2-Arylquinazolin-4(3H)-ones 1-25 were synthesized by reacting anthranilamide with various benzaldehydes using CuCl2·2H2O as a catalyst in ethanol under reflux. Synthetic 2-arylquinazolin-4(3H)-ones 1-25 were evaluated for their ß-glucuronidase inhibitory potential. A trend of inhibition IC50 against the enzyme in the range of 0.6-198.2µM, was observed and compared with the standard d-saccharic acid 1,4-lactone (IC50=45.75±2.16µM). Compounds 13, 19, 4, 12, 14, 22, 23, 25, 15, 8, 17, 11, 21, 1, 3, 18, 9, 2, and 24 with the IC50 values within the range of 0.6-44.0µM, indicated that the compounds have superior activity than the standard. The compounds showed no cytotoxic effects against PC-3 cells. A structure-activity relationship is established.

Synthesis and structure-activity relationship of thiobarbituric acid derivatives as potent inhibitors of urease.

A series of thiobarbituric acid derivatives 1-27 were synthesized and evaluated for their urease inhibitory potential. Exciting results were obtained from the screening of these compounds 1-27. Compounds 5, 7, 8, 11, 16, 17, 22, 23 and 24 showed excellent urease inhibition with IC50 values 18.1 ± 0.52, 16.0 ± 0.45, 16.0 ± 0.22, 14.3 ± 0.27, 6.7 ± 0.27, 10.6 ± 0.17, 19.2 ± 0.29, 18.2 ± 0.76 and 1.61 ± 0.18 µM, respectively, much better than the standard urease inhibitor thiourea (IC50=21 ± 0.11 µM). Compound 3, 4, 10, and 26 exhibited comparable activities to the standard with IC50 values 21.4 ± 1.04 and 21.5 ± 0.61 µM, 22.8 ± 0.32, 25.2 ± 0.63, respectively. However the remaining compounds also showed prominent inhibitory potential The structure-activity relationship was established for these compounds. This study identified a novel class of urease inhibitors. The structures of all compounds were confirmed through spectroscopic techniques such as EI-MS and (1)H NMR.

Oxadiazoles and thiadiazoles: novel α-glucosidase inhibitors.

Oxadiazoles and thiadiazoles 1-37 were synthesized and evaluated for the first time for their α-glucosidase inhibitory activities. As a result, fifteen of them 1, 4, 5, 7, 8, 13, 17, 23, 25, 30, 32, 33, 35, 36 and 37 were identified as potent inhibitors of the enzyme. Kinetic studies of the most active compounds (oxadiazoles 1, 23 and 25, and thiadiazoles 35 and 37) were carried out to determine their mode of inhibition and dissociation constants Ki. The most potent compound of the oxadiazole series (compound 23) was found to be a non-competitive inhibitor (Ki=4.36±0.017 µM), while most potent thiadiazole 35 was identified as a competitive inhibitor (Ki=6.0±0.059 µM). The selectivity and toxicity of these compounds were also studied by evaluating their potential against other enzymes, such as carbonic anhydrase-II and phosphodiesterase-I. Cytotoxicity was evaluated against rat fibroblast 3T3 cell line. Interestingly, these compounds were found to be inactive against other enzymes, exhibiting their selectivity towards α-glucosidase. Inhibition of α-glucosidase is an effective strategy for controlling post-prandial hyperglycemia in diabetic patients. α-Glucosidase inhibitors can also be used as anti-obesity and anti-viral drugs. Our study identifies two novel series of potent α-glucosidase inhibitors for further investigation.

Unsymmetrical thiourea derivatives: synthesis and evaluation as promising antioxidant and enzyme inhibitors.

Background: Unsymmetrical thioureas 1-20 were synthesized and then characterized by various spectroscopy techniques such as UV, IR, fast atom bombardment (FAB)-MS, high-resolution FAB-MS, 1H-NMR and 13C-NMR. Methods: Synthetic compounds 1-20 were tested for their ability for antioxidant, lipoxygenase and xanthine oxidase activities. Results: Compounds 1, 2, 9, 12 and 15 exhibited strong antioxidant potential, whereas compounds 1-3, 9, 12, 15 and 19 showed good to moderate lipoxygenase activity. Ten compounds demonstrated moderate xanthine oxidase inhibition. Conclusion: Compound 15 displayed the highest potency among the series, exhibiting good antioxidant, lipoxygenase and xanthine oxidase activities. Theoretical calculations using density functional theory and molecular docking studies supported the experimental findings, indicating the potential of the synthesized compounds as potent antioxidants, lipoxygenases and xanthine oxidase agents.

Identification of potential drug candidates to treat gastritis and associated oxidative stress based on some novel 2-aryl-1H-naphtho[2,3-d]imidazole: synthesis, in vitro and in silico analysis.

To identify potential scaffolds to treat gastritis and oxidative stress, 2-aryl-1H-naphtho[2,3-d]imidazole derivatives (1-15) were synthesized. The synthesis was conveniently carried out by condensing 2,3-diaminonaphthalene with variously substituted aldehydes to yield 15 new 2-aryl-1H-naphtho[2,3-d]imidazole derivatives. Structures of all synthesized compounds were elucidated using MS and NMR spectroscopic techniques. Compounds containing an imidazole moiety have continued to spark interest in the field of medicinal chemistry due to their unique properties. In continuation of this statement, to further explore the biological potential of these types of compounds, newly synthesized imidazole derivatives were evaluated for their inhibitory potential against urease and antioxidant activities. Compounds 4 and 11 were identified as the most potent urease inhibitors in the series, with IC50 values of 34.2 ± 0.72 and 42.43 ± 0.65 µM, respectively. Compounds 1, 3, 6, 11, and 15, with EC50 values in the range of 37-75 µg ml-1, showed significant antioxidant activity. Molecular docking studies of the selected synthesized compounds 3, 4, 9, and 11 were also performed to determine their binding interaction with the jack bean urease. Through docking studies, it was revealed that all the compounds that showed good inhibitory potential against urease fit well within the protein's binding pocket. Furthermore, ADME analysis was carried out to explore the drug-likeness properties of the compounds. The findings of the present work revealed that compounds 4 and 11 could be better options to treat gastritis and associated oxidative stress.

Mesoporous Co3O4@CdS nanorods as anode for high-performance lithium ion batteries with improved lithium storage capacity and cycle life.

Transition metal oxides based anodes are facing crucial problems of capacity fading at long cycles and high rates due to electrode degradations. In this prospective, an effective strategy is employed to develop advanced electrode materials for lithium-ion batteries (LIBs). In the present work, a mesoporous Co3O4@CdS hybrid sructure is developed and investigated as anode for LiBs. The hybrid structure owning porous nature and large specific surface area, provides an opportunity to boost the lithium storage capabilities of Co3O4 nanorods. The Co3O4@CdS electrode delivers an initial discharge capacity of 1292 mA h g-1 at 0.1C and a very stable reversible capacity of 760 mA h g-1 over 200 cycles with a capacity retention rate of 92.7%. In addition, the electrode exhibits excellent cyclic stability even after 800 cycles and good rate performance as compared to previously reported electrodes. Moreover, density functional theory (DFT) and electrochemical impedance spectroscopy (EIS) confirm the enhanced kinetics of the Co3O4@CdS electrode. The efficient performance of the electrode may be due to the increased surface reactivity, abundant active sites/interfaces for rapid Li+ ion diffusion and the synergy between Co3O4 and CdS NPs. This work demonstrates that Co3O4@CdS hybrid structures have great potential for high performance batteries.

Squeezed Darcy-Forchheimer Casson nanofluid flow between horizontal plates under the effect of inclined magnetic field.

This article explores the properties of heat and mass transport for MHD Casson nanofluid flow between two horizontal plates by considering the Darcy-Forchheimer medium. The effects of a uniform inclined magnetic field are discussed numerically. A Darcy-Forchheimer medium is considered in the x-direction between two plates. The features of Brownian diffusive motion, porosity, friction, viscous dissipation, chemical reaction, and thermophoresis are also considered. The governing equations of the model are a system of partial differential equations. This system is converted into non-linear ordinary differential equations using suitable similarity functions. The numerical shooting technique is used to solve the attained boundary value problem. This numerical technique is endowed with the Runge-Kutta order four method and the Newton method. Graphs and tables depict different significant effects. It is observed that the effect of a magnetic field is inversely related to the fluid flow. Moreover, the porosity factor (λ) and the magnetic inclination (γ) are inversely related to the surface drag force (Cf) and the Nusselt number (Nu).

Banned Sudan dyes in spices available at markets in Karachi, Pakistan.

Sudan dyes were investigated in branded and non-branded spices, commonly available in the markets of Karachi, Pakistan. High performance liquid chromatography (HPLC) with a variable wavelength detector (VWD) was applied to determine Sudan dyes I-IV. The non-branded samples had higher concentrations of Sudan dyes than the maximum limits of 0.1 mg/kg. The highest concentration of Sudan dye (I) was found in turmeric powder (8460 mg/kg) and the lowest concentration (1.50 mg/kg) of Sudan (IV) in Chaat Masala. This indicates that the use of non-branded spices is not safe, whereas no Sudan dye was found in the branded spice samples. Further studies regarding the higher carcinogenic risk posed by Sudan dye adulterated spices in Pakistan is strongly advised.

Adsorption of dipeptide L-alanyl-L-tryptophan on gold colloidal nanoparticles studied by surface-enhanced Raman spectroscopy.

Surface adsorption of a dipeptide L-alanyl-L-tryptophan (Ala-Trp) on gold nanoparticles reduced by citrate (CT) and borohydride (BH) ions was investigated by a surface-enhanced Raman scattering (SERS) technique. Two distinct SERS spectra of Ala-Trp depending on the types of gold nanoparticles were observed, and the vibrational assignments were based on the density functional theory simulations and the previous SERS results of Trp. Ala-Trp mainly adsorbs through the amine group on CT gold nanoparticles with a perpendicular orientation of the indole ring to the surface. In contrast, the adsorption occurs via the π electrons of the indole ring on the BH gold surfaces while maintaining a flat geometry of the indole ring to the surface. The amide I band of Ala-Trp was observed only with the CT gold colloids in acidic and neutral conditions where partial surface adsorption via the amide group is expected.