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1.
J Mol Graph Model ; 129: 108729, 2024 06.
Article in English | MEDLINE | ID: mdl-38479238

ABSTRACT

The recent discovery of superconductivity behavior in the mother BiS2-layered compounds has captivated the attention of several physicists. The crystal structure of superconductors with alternate layers of BiS2 is homologous to that of cuprates and Fe-based superconductors. The full-potential linearized augmented plane-wave (FP-LAPW) technique was utilized to investigate the electronic structures and density of states in the vicinity of the Fermi energy of SrFBiS2 and BaFBiS2 compounds under the electron carriers doping. The introduction of electron doping (carries doping) reveals that the host compounds SrFBiS2 and BaFBiS2 exhibit features indicative of superconductivity. This carrier doping of SrFBiS2 and BaFBiS2 compounds (electron-doped) has a significant impact on the lowest conduction states near the Fermi level for the emergence of the superconducting aspect. The electron doping modifies and induces changes in the electronic structures with superconducting behavior in (Ae)1.7FBiS2(Ae=Sr,Ba) compounds. A Fermi surface nesting occurred under the modification of electrons (carriers) doping in the host compounds SrFBiS2 and BaFBiS2. Furthermore, the optical characteristics of the carrier-doped SrFBiS2 and BaFBiS2 compounds are simulated. Due to the anisotropic behavior, the optical properties of these materials based on BiS2 demonstrate a pronounced polarization dependency. The starting point at zero photon energy in the infrared region is elucidated by considering the Drude features in the optical conductivity spectra of SrFBiS2 and BaFBiS2 compounds, when the electron carriers doping is applied. It was clearly noticed that the spin-orbit coupling (SOC) influences the electronic band structures, density of states, Femi surface, and optical features because of the heavy Bismuth atom, which may disclose fascinating aspects. Further, we conducted simulations to assess the thermoelectric properties of these mother compounds. The two BiS2-layered compounds could be suitable for practical thermoelectric purposes and are highlighted through assessment of electrical conductivity, thermal conductivity, Seebeck coefficient, and power factor. As a result, we propose that the mechanisms of superconducting behavior in BiS2 family may pave new avenues for investigating the field of unconventional superconductivity. It may also provide new insights into the origin of high-Tc superconductivity nature.


Subject(s)
Bismuth , Electronics , Electric Conductivity , Anisotropy , Electrons
2.
Heliyon ; 10(4): e25965, 2024 Feb 29.
Article in English | MEDLINE | ID: mdl-38390128

ABSTRACT

The study aimed to enhance the properties of thin FeSe2 films by incorporating ruthenium through spray pyrolysis. Films were deposited on pre-heated glass substrates and subjected to controlled heating in a selenium-rich environment. X-ray diffraction analysis confirmed the presence of FeSe2 phase. Films with specific ruthenium ratios showed notable improvements in optical attributes, including increased absorption coefficient and a higher direct band gap, aligning with desired values for photovoltaic applications. Hall Effect measurements revealed N-type conductivity with varying concentrations and temperature-dependent electrical properties. The results highlight the efficacy of ruthenium as a promising alloying candidate for developing photovoltaic materials, emphasizing the versatility of the produced films across multiple domains.

4.
Drugs Real World Outcomes ; 10(4): 577-585, 2023 Dec.
Article in English | MEDLINE | ID: mdl-37857794

ABSTRACT

INTRODUCTION: Numerous investigations on herbal medicine that have been undertaken in the past several years demonstrate the general acceptance of its safety. The Saudi Food and Drug Authority (SFDA) established the Herb-Drug Interaction (HDI) project to detect and assess potential HDIs to ensure safety. The aim is to detect safety signals and assess them based on available evidence. METHODS: First, SFDA-registered herbal products (n = 30) were selected and prioritized based on commonly used herbs. Second, reported potential HDIs were retrieved from the World Health Organization global database of individual case safety reports (VigiBase), AdisInsight®, and the Natural Medicines database. We excluded drugs non-registered by SFDA and labeled interactions in the product information of SFDA, the US Food and Drug Administration (FDA), and the European Medicines Agency (EMA). Finally, a comprehensive evaluation of potential HDIs was carried out using several evidence sources: literature, global cases, local cases, and other relevant documents. The Drug Interaction Probability Scale (DIPS) scale was used to assess the probability of a causal relationship between the interacting herb and drug and the event. RESULTS: The search yielded 566 potential signals, and 41 had published evidence and were referred for assessment. The assessment results using DIPS were: 22 possible (53.6 %), 7 probable (17%), and 12 doubtful (29.2%) interactions. The recommendation was to include probable HDIs in the product information, including turmeric-tacrolimus, etoposide-Echinacea, Ginkgo biloba-ibuprofen, green tea-warfarin, and licorice-thiazides interactions. CONCLUSION: The HDI project assessed the screening and identification of potential HDIs. The action plan of this project can be used in post-marketing activities to identify potential drug interactions.

5.
Heliyon ; 9(10): e20270, 2023 Oct.
Article in English | MEDLINE | ID: mdl-37810828

ABSTRACT

In pursuit of augmenting the band gap value of thin films composed of FeS2 Pyrite, our study encompasses both theoretical and experimental investigations. Specifically, we sought to delve into the electronic and optical properties of FeS2 alloyed with ruthenium, denoted as Fe1-xRuxS2, where x varied across a range of values (x = 0.3966, 0.1586, 0.0496, 0.0347, 0.0106, and 0.00). Our theoretical analysis employed the Linear Muffin-Tin Orbital technique within the Atomic-Sphere approximation (LMTO-ASA) framework, focusing on the density of states. In parallel, our experimental samples were fabricated via a cost-effective and straightforward method involving the sulfuration of amorphous iron oxide thin films, which were deposited through spray pyrolysis of an aqueous solution containing FeCl3.6H2O onto heated glass substrates at 400 °C. This comprehensive investigation sheds light on the influence of alloying on the atomic structure and the optical characteristics of RuxFe1-xS2 samples. Utilizing X-ray diffraction (XRD) and optical characterizations, we observed a notable widening of the band gap of FeS2, ranging from 0.90508 to 1.38 eV, when approximately 1.06% of the Fe atoms were replaced with ruthenium atoms (x = 0.0106 concentration of Ru). This finding holds significant implications for the potential applications of our samples in photovoltaic technologies.

6.
Heliyon ; 9(2): e13248, 2023 Feb.
Article in English | MEDLINE | ID: mdl-36825185

ABSTRACT

F e S 2 pyrite is one of the most interesting photovoltaic materials with low-cost and natural abundance but with small band gap of 0.95 eV. In the present work, we show the feasibility of increases band gap was determined by Zinc alloying of Iron pyrite. We showed that we can increase the band gap of F e S 2 pyrite to 1.15 e V by theoretical calculation and to 1.16 e V using experimental method, by just adding a very small amount of Zinc ( 1 % ) . We prepared our samples by chemical vapor transport technic and we utilized the technic of linear muffin-tin orbital method in the atomic-sphere approximation (LMTO-ASA). The effect of Zinc alloyed Iron pyrite were examined by transmission electron micrograph TEM, XRD, Raman spectroscopy and optical characterization.

7.
Saudi Pharm J ; 30(8): 1193-1199, 2022 Aug.
Article in English | MEDLINE | ID: mdl-36164566

ABSTRACT

Introduction: Thromboembolic events with the use of immune checkpoint inhibitors (ICIs) in patients with cancer have been reported in few studies. However, the detailed profile of these cases remains mostly uncertain. Method: A descriptive analysis of Thromboembolic events associated with ICIs retrieved from the VigiBase, between 1967 to November 2020. We extracted the data using the terms of 'pulmonary embolism' OR 'deep vein thrombosis' OR 'acute coronary syndrome' OR 'myocardial infarction' OR 'ischemic stroke' (preferred term (PT) (MedDRA). Results: We included 161 cases from 26 countries in our descriptive analysis. Patients' ages were reported in 141 (87.6%) cases, with a median of 68 years (interquartile range 61-74), and 63.4% of the patients were male. Indications for ICIs were reported in 151 (93.8%) cases, as follows: lung cancer (n = 85, 52.8%), renal cell carcinoma (n = 24, 14.9%), melanoma (n = 20, 12.4%), urethral carcinoma (n = 12, 7.45%), breast cancer (n = 4, 2.48%), adenocarcinoma of the gastroesophageal junction (n = 3, 1.9%), gastric cancer (n = 2, 1.24%), and skin cancer (n = 1, 0.62%). Nivolumab was reported as a suspected drug in 76 cases (47%), pembrolizumab in 46 cases (28.5%), atezolizumab in 21 cases (13%), durvalumab in 14 cases (8.6%), and avelumab in four cases (2.4%).The time to onset of thromboembolic events was reported in 127 (78.8%) cases. Most of these patients (n = 109, 85.8%) reported thromboembolic events within the first six months. The causality assessment of included cases showed that 50.3% of reported thromboembolic events were possibly related to the suspected reported medication, 13.7% were probably related, 13% were unlikely to be related, and 23% were not assessable due to insufficient information. Conclusion: This study demonstrates a possible association between the use of ICIs and thromboembolic events. Further epidemiological studies are needed to assess this association and to elucidate the underlying mechanism.

8.
Saudi Pharm J ; 29(8): 799-806, 2021 Aug.
Article in English | MEDLINE | ID: mdl-34408541

ABSTRACT

INTRODUCTION: Health outcomes and policies is a growing areas that is needed in the healthcare culture. This study aimed to examine the availability, extent and type of teaching curricula (pharmacoeconomics, pharmacoepidemiology, pharmacovigilance, patient safety) in Arab countries. METHODS: A retrospective observational study was conducted during the period of November 2019 to January 2020. The collection strategy was performed by listing of pharmacy colleges in each country and then reviewing the institutions' websites that met the inclusion criteria. Five criteria were utilized to assess the availability of these courses: full-time mandatory, full-time elective, partial mandatory, partial elective, and not offered. RESULTS: One hundred ninety-one academic institutions were screened during the study period. Of those, 151 (79.1%) institutions were included in the study and their curricular descriptions were retrieved from their electronic websites. Pharmacoeconomics was the most taught subject among the four subjects. It was offered in 89/151 of the colleges among Arab countries. Among these 89 colleges that offered pharmacoeconomics, 74/89 offered it as a mandatory. While, Pharmacoepidemiology was offered in 51 colleges, with 44/51 offering the subject as a mandatory, and 6 out of those 44 list it as a full-time mandatory, while 38 out of those 44 offer it as a partially mandatory. Only 22 of the colleges offered pharmacovigilance, with 14/22 offering the subject as a mandatory. Finally, there was only one institution that offers the subject of patient safety. Moreover, most of the four courses investigated are only taught in the final two years of study. CONCLUSIONS: The study found a clear shortcoming in the teaching pharmaceutical outcomes. More efforts are needed by academic institutions to adopt and teach these subjects to ensure they meet the work needs and advanced pharmacy practice transformation.

9.
Sci Rep ; 11(1): 13068, 2021 06 22.
Article in English | MEDLINE | ID: mdl-34158586

ABSTRACT

Over the past few years, biogenic methods for designing silver nanocomposites are in limelight due to their ability to generate semi-healthcare and para-pharmaceutical consumer goods. The present study reports the eco-friendly synthesis of silver nanoparticles from the hitherto unexplored mucus of territorial snail Achatina fulica by the facile, clean and easily scalable method. The detailed characterization of the resultant samples by UV-Visible Spectroscopy, FESEM-EDS, XRD and FTIR Spectroscopy techniques corroborated the formation of silver nanoparticles in snail mucus matrix. The resultant samples were tested against a broad range of Gram positive and Gram negative bacteria like Escherichia coli, Staphylococcus aureus, Klebsiella pneumoniae, Pseudomonas aeruginosa and a fungal strain Aspergillus fumigatus by well diffusion method. The results indicate that silver nanoparticles in mucus matrix exhibit strong antibacterial as well as antifungal activity. The pertinent experiments were also performed to determine the inhibitory concentration against both bacterial and fungal strains. Anticancer activity was executed by in vitro method using cervical cancer cell lines. Curiously, our biogenically synthesized Ag nanoparticles in biocompatible mucus revealed anticancer activity and demonstrated more than 15% inhibition of Hela cells. We suggest an interesting possibility of formulating antimicrobial and possibly anticancer creams/gels for topical applications in skin ailments.


Subject(s)
Anti-Infective Agents/pharmacology , Antineoplastic Agents/pharmacology , Green Chemistry Technology , Metal Nanoparticles/chemistry , Mucus/chemistry , Silver/pharmacology , Snails/chemistry , Animals , DNA/analysis , HeLa Cells , Humans , Inhibitory Concentration 50 , Metal Nanoparticles/ultrastructure , Microbial Sensitivity Tests , Proteins/analysis , RNA/analysis , Spectrophotometry, Ultraviolet , Spectroscopy, Fourier Transform Infrared , Staphylococcus aureus/drug effects , X-Ray Diffraction
10.
Molecules ; 21(7)2016 Jul 08.
Article in English | MEDLINE | ID: mdl-27399668

ABSTRACT

Hydroxyphenylalkanes and diarylheptanoids possess potential therapeutic value in different pathophysiological conditions, such as malignancy. In the current study, naturally isolated hydroxyphenylalkane and diarylheptanoid compounds were investigated for potential chemo-modulatory effects in addition to potential vascular protective roles with doxorubicin. Diarylheptanoids showed stronger antioxidant effects, in comparison to hydroxyphenylalkanes, as demonstrated by DPPH assay and amelioration of CCl4-induced disturbed intracellular GSH/GSSG balance. Shogaol and 4'-methoxygingerol showed considerable cytotoxic effects against HCT116, HeLa, HepG2 and MCF7 cells, with IC50 values ranging from 3.1 to 19.4 µM. Gingerol significantly enhanced the cytotoxic profile of doxorubicin against HepG2 and Huh7, cells decreasing its IC50s by 10- and 4-fold, respectively. Cell cycle distribution was studied using DNA cytometry. Doxorubicin alone induced cell accumulation at S-phase and G2/M-phase, while in combination with gingerol it significantly induced cell cycle arrest at the G2/M-phase. Additionally, the vascular protective effect of gingerol against doxorubicin (10 µM) was examined on isolated aortic rings. Co-incubation with 6-gingerol (30 µM) completely blocked the exaggerated vasoconstriction and impaired vascular relaxation induced by doxorubicin. In conclusion, despite its relatively weak antioxidant properties, gingerol protected from DOX-induced vascular damage, apparently not through a ROS scavenging mechanism. Besides, gingerol synergized the cytotoxic effects of DOX against liver cancer cells without influencing the cellular pharmacokinetics.


Subject(s)
Antibiotics, Antineoplastic/pharmacology , Antineoplastic Agents, Phytogenic/pharmacology , Antioxidants/pharmacology , Catechols/pharmacology , Doxorubicin/pharmacology , Fatty Alcohols/pharmacology , Zingiberaceae/chemistry , Antineoplastic Agents, Phytogenic/isolation & purification , Antioxidants/isolation & purification , Aorta/drug effects , Aorta/physiology , Catechols/isolation & purification , Cell Cycle Checkpoints/drug effects , Cell Survival/drug effects , Drug Combinations , Drug Synergism , Fatty Alcohols/isolation & purification , HCT116 Cells , HeLa Cells , Hep G2 Cells , Humans , Inhibitory Concentration 50 , MCF-7 Cells , Tissue Culture Techniques , Vasoconstriction/drug effects
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