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1.
J Mol Graph Model ; 129: 108729, 2024 06.
Artigo em Inglês | MEDLINE | ID: mdl-38479238

RESUMO

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.


Assuntos
Bismuto , Eletrônica , Condutividade Elétrica , Anisotropia , Elétrons
2.
Heliyon ; 10(4): e25965, 2024 Feb 29.
Artigo em Inglês | MEDLINE | ID: mdl-38390128

RESUMO

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.

3.
Cureus ; 15(11): e48171, 2023 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-38046773

RESUMO

Background Measles is a highly contagious viral disease that has recently made headlines due to outbreaks in several parts of the world. The disease can cause serious health complications, especially in young children, which has led to concerns about vaccination rates and public health policies. This study aims to investigate and describe the epidemiology, clinical characteristics, and outcomes of measles infection among children in Riyadh. Methodology We conducted a descriptive cross-sectional study among all pediatric patients with confirmed measles infection at a tertiary hospital from January 15, 2023, to March 15, 2023. We collected data including demographic characteristics, clinical presentations, and clinical outcomes. Results A total of 63 confirmed measles cases were reported. Most patients were under four years of age (82.7%), and 85.7% were unvaccinated. Adenovirus was the most common viral coinfection (12.7%). The most common complication was pneumonia (58.7%). Chest X-ray findings reported a localized right parenchymal infiltrate in 19% of patients and a patchy bilateral infiltrate in 15.9% of patients. In addition, 88.9% required hospital admission secondary to dehydration (47.6%) and hypoxia (41.3%). Among admitted patients, 17.5% were admitted to the pediatric intensive care unit (PICU), 9.5% were admitted due to respiratory failure, and 6.3% due to septic shock. Children under one year of age had a higher risk for PICU admission (p < 0.05). The mortality rate was 1.6%. Conclusions Measles is a serious disease that causes significant health effects and incurs high financial costs for public health systems. Vaccination remains the most effective way to prevent measles outbreaks and reduce their impact on individuals and communities.

5.
Heliyon ; 9(10): e20270, 2023 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-37810828

RESUMO

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.
Drugs Real World Outcomes ; 10(4): 577-585, 2023 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-37857794

RESUMO

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.

7.
Insects ; 14(7)2023 Jun 30.
Artigo em Inglês | MEDLINE | ID: mdl-37504595

RESUMO

Aphids are a ubiquitous group of pests in agriculture that cause serious losses. For sustainable aphid identification, it is necessary to develop a precise and fast aphid identification tool. A new simple chemotaxonomy approach to rapidly identify aphids was implemented. The method was calibrated in comparison to the established phylogenetic analysis. For chemotaxonomic analysis, aphids were crushed, their headspace compounds were collected through closed-loop stripping (CLS) and analysed using gas chromatography-mass spectrometry (GC-MS). GC-MS data were then subjected to a discriminant analysis using CAP12.exe software, which identified key biomarkers that distinguish aphid species. A dichotomous key taking into account the presence and absence of a set of species-specific biomarkers was derived from the discriminant analysis which enabled rapid and reliable identification of aphid species. As the method overcomes the limits of morphological identification, it works with aphids at all life stages and in both genders. Thus, our method enables entomologists to assign aphids to growth stages and identify the life history of the investigated aphids, i.e., the food plant(s) they fed on. Our experiments clearly showed that the method could be used as a software to automatically identify aphids.

8.
Molecules ; 28(10)2023 May 22.
Artigo em Inglês | MEDLINE | ID: mdl-37241995

RESUMO

Bacterial secondary metabolites are a valuable source of various molecules that have antibacterial and anticancer activity. In this study, ten endosymbiotic bacteria of aphids, aphid predators and ants were isolated. Bacterial strains were identified according to the 16S rRNA gene. Ethyl acetate fractions of methanol extract (EA-ME) were prepared from each isolated bacterium and tested for their antibacterial activities using the disk diffusion method. The EA-ME of three bacterial species, Planococcus sp., Klebsiella aerogenes, Enterococcus avium, from the pomegranate aphids Aphis punicae, Chrysoperia carnea, and Tapinoma magnum, respectively, exhibited elevated antibacterial activity against one or several of the five pathogenic bacteria tested. The inhibition zones ranged from 10.00 ± 0.13 to 20.00 ± 1.11 mm, with minimum inhibitory concentration (MIC) values ranging from 0.156 mg/mL to 1.25 mg/mL. The most notable antibacterial activity was found in the EA-ME of K. aerogenes against Klebsiella pneumonia and Escherichia coli, with an MIC value of 0.156 mg/mL. The cytotoxic activity of EA-ME was dependent on the cell line tested. The most significant cytotoxicity effect was observed for extracts of K. aerogenes and E. avium, at 12.5 µg/mL, against the epithelial cells of lung carcinoma (A549), with a cell reduction of 79.4% and 67.2%, respectively. For the EA-ME of K. aerogenes and Pantoea agglomerans at 12.5 µg/mL, 69.4% and 67.8% cell reduction were observed against human colon cancer (Hct116), respectively. Gas chromatography-mass spectrometry (GC-MS) analysis of three EA-ME revealed the presence of several bioactive secondary metabolites that have been reported previously to possess antibacterial and anticancer properties. To the best of our knowledge, this is the first study to examine the biological activities of endosymbiotic bacteria in aphids, aphid predators and ants. The promising data presented in this study may pave the way for alternative drugs to overcome the continued emergence of multidrug-resistant bacteria, and find alternative drugs to conventional cancer therapies.


Assuntos
Afídeos , Punica granatum , Animais , Humanos , Extratos Vegetais/química , RNA Ribossômico 16S , Antibacterianos/química , Bactérias , Testes de Sensibilidade Microbiana
9.
Heliyon ; 9(2): e13248, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36825185

RESUMO

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.

10.
ChemMedChem ; 18(8): e202200641, 2023 04 17.
Artigo em Inglês | MEDLINE | ID: mdl-36754780

RESUMO

A new series of tetrasubstituted imidazole derivatives carrying pyrimidine sulfonamide pharmacophores has been synthesized and evaluated for their anticancer activities. In-vitro screening of these hybrids against a full 60-cell-line panel at a single dose of 10 µM showed significant growth inhibition of up to 95 %. The most active compound showed in-vitro anticancer activities against (i) abnormal HER2 and (ii) two mutants for EGFR. Apoptotic gene expression revealed that lead compounds induced MCF-7 cell line apoptosis together with considerable change in the Bax/Bcl-2 expression ratio. One lead compound led to a significant cell-cycle S-phase arrest, while another blocked the cell cycle at G1/S-phase causing the accumulation of cells. Docking analysis of these two hybrids adopted the orientation and binding interactions with a higher liability to enter the active side pocket of HER2, L858R, and T790 M, preferable to that of co-crystallized ligands. Modelling simulation was consistent with the acquired biological evaluation.


Assuntos
Antineoplásicos , Humanos , Relação Estrutura-Atividade , Antineoplásicos/química , Proliferação de Células , Ensaios de Seleção de Medicamentos Antitumorais , Células MCF-7 , Sulfanilamida/farmacologia , Receptores ErbB , Pirimidinas/farmacologia , Pirimidinas/química , Imidazóis/farmacologia , Apoptose , Linhagem Celular Tumoral , Estrutura Molecular , Simulação de Acoplamento Molecular
11.
Saudi Pharm J ; 30(8): 1193-1199, 2022 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-36164566

RESUMO

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.

12.
Int J Emerg Med ; 14(1): 71, 2021 Dec 14.
Artigo em Inglês | MEDLINE | ID: mdl-34906080

RESUMO

BACKGROUND: Workplace violence and abuse in the emergency department (ED) has increasingly become a serious and alarming phenomenon worldwide where health care professionals are more prone to violence compared with other specialties. AIMS: We aimed to estimate prevalence, and types of work place violence made against health care workers (HCW) in emergency departments of Arabian Gulf area. METHODS: We performed a descriptive cross-sectional study at several emergency departments in Saudi Arabia and United Arab Emirates wherein a previously validated questionnaire was distributed among health care workers. The survey consisted of 22 questions that assessed respondent's workplace violence and/or abuse encounters, protective measures, available work place policies, and actions implemented to detect and deal with violence and abuse against healthcare providers. Descriptive statistics was used and P value < 0.05 was considered significant for all statistical tests performed. RESULTS: Seven hundred HCW in eleven emergency departments agreed to participate in the survey. Four hundred ninety-two completed the questionnaire with a response rate of 70%. More than 90% of the respondents were in the 20-39 years old bracket with an approximately equal gender distribution. Then, 20.9% of the respondents stated that they were physically attacked and 32.3% were attacked with a weapon. Most of the respondents (75.6%) reported that they were verbally abused or bullied by patients or relatives of patients. Staff responses to emotional abuse varied among respondents with the most frequent response of "told the person to stop" (22%), followed by "took no action" (19%). Further, 83.3% of respondents stated that there was an existing policy and procedure guidelines for reporting work place violence while 30.1% reported that they had not used any of these measures. CONCLUSION: Workplace violence among HCW in the emergency departments are common in the Gulf area and can be serious in as far as use of weapons. Staff awareness focus on this under reported issue, and staff training to recognize and report potential aggression can predict a significant reduction of incidents.

13.
Saudi Pharm J ; 29(8): 799-806, 2021 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-34408541

RESUMO

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.

14.
Sci Rep ; 11(1): 13068, 2021 06 22.
Artigo em Inglês | MEDLINE | ID: mdl-34158586

RESUMO

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.


Assuntos
Anti-Infecciosos/farmacologia , Antineoplásicos/farmacologia , Química Verde , Nanopartículas Metálicas/química , Muco/química , Prata/farmacologia , Caramujos/química , Animais , DNA/análise , Células HeLa , Humanos , Concentração Inibidora 50 , Nanopartículas Metálicas/ultraestrutura , Testes de Sensibilidade Microbiana , Proteínas/análise , RNA/análise , Espectrofotometria Ultravioleta , Espectroscopia de Infravermelho com Transformada de Fourier , Staphylococcus aureus/efeitos dos fármacos , Difração de Raios X
15.
Talanta ; 189: 157-165, 2018 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-30086900

RESUMO

A possibility of harvesting the physiologically-active compounds from the vegetable oils using bespoke resin and optimised solid-phase extraction (SPE) purification method is demonstrated. The paper describes the application of SPE protocol, which was originally developed, using sunflower oil as model biomass, for extraction of the valuable compounds from sesame, wheat germ, palm, olive and soybean oils. As a result, the extraction of three free fatty acids (palmitic, oleic and linoleic), α-tocopherol and three phytosterols (campesterol, stigmasterol and ß-sitosterol) from six vegetable oils have been demonstrated. The comparison between the published data on the amount of the analysed compounds in the corresponding vegetable oils and presented here extraction results confirm that the developed method allowed not only quantitatively extract the physiologically-active components from various vegetable oils without any pre-treatment but also was reproducible, cost-effective and ecologically-conscious as consumed smaller volumes of organic solvents than commonly used protocols.

16.
Molecules ; 21(7)2016 Jul 08.
Artigo em Inglês | MEDLINE | ID: mdl-27399668

RESUMO

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.


Assuntos
Antibióticos Antineoplásicos/farmacologia , Antineoplásicos Fitogênicos/farmacologia , Antioxidantes/farmacologia , Catecóis/farmacologia , Doxorrubicina/farmacologia , Álcoois Graxos/farmacologia , Zingiberaceae/química , Antineoplásicos Fitogênicos/isolamento & purificação , Antioxidantes/isolamento & purificação , Aorta/efeitos dos fármacos , Aorta/fisiologia , Catecóis/isolamento & purificação , Pontos de Checagem do Ciclo Celular/efeitos dos fármacos , Sobrevivência Celular/efeitos dos fármacos , Combinação de Medicamentos , Sinergismo Farmacológico , Álcoois Graxos/isolamento & purificação , Células HCT116 , Células HeLa , Células Hep G2 , Humanos , Concentração Inibidora 50 , Células MCF-7 , Técnicas de Cultura de Tecidos , Vasoconstrição/efeitos dos fármacos
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