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1.
N Engl J Med ; 383(25): 2407-2416, 2020 12 17.
Article in English | MEDLINE | ID: mdl-33176093

ABSTRACT

BACKGROUND: The efficacy of public health measures to control the transmission of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has not been well studied in young adults. METHODS: We investigated SARS-CoV-2 infections among U.S. Marine Corps recruits who underwent a 2-week quarantine at home followed by a second supervised 2-week quarantine at a closed college campus that involved mask wearing, social distancing, and daily temperature and symptom monitoring. Study volunteers were tested for SARS-CoV-2 by means of quantitative polymerase-chain-reaction (qPCR) assay of nares swab specimens obtained between the time of arrival and the second day of supervised quarantine and on days 7 and 14. Recruits who did not volunteer for the study underwent qPCR testing only on day 14, at the end of the quarantine period. We performed phylogenetic analysis of viral genomes obtained from infected study volunteers to identify clusters and to assess the epidemiologic features of infections. RESULTS: A total of 1848 recruits volunteered to participate in the study; within 2 days after arrival on campus, 16 (0.9%) tested positive for SARS-CoV-2, 15 of whom were asymptomatic. An additional 35 participants (1.9%) tested positive on day 7 or on day 14. Five of the 51 participants (9.8%) who tested positive at any time had symptoms in the week before a positive qPCR test. Of the recruits who declined to participate in the study, 26 (1.7%) of the 1554 recruits with available qPCR results tested positive on day 14. No SARS-CoV-2 infections were identified through clinical qPCR testing performed as a result of daily symptom monitoring. Analysis of 36 SARS-CoV-2 genomes obtained from 32 participants revealed six transmission clusters among 18 participants. Epidemiologic analysis supported multiple local transmission events, including transmission between roommates and among recruits within the same platoon. CONCLUSIONS: Among Marine Corps recruits, approximately 2% who had previously had negative results for SARS-CoV-2 at the beginning of supervised quarantine, and less than 2% of recruits with unknown previous status, tested positive by day 14. Most recruits who tested positive were asymptomatic, and no infections were detected through daily symptom monitoring. Transmission clusters occurred within platoons. (Funded by the Defense Health Agency and others.).


Subject(s)
COVID-19 Testing , COVID-19/transmission , Disease Transmission, Infectious/statistics & numerical data , Military Personnel , Quarantine , SARS-CoV-2/isolation & purification , Asymptomatic Infections , COVID-19/diagnosis , COVID-19/epidemiology , Genome, Viral , Humans , Male , Phylogeny , Real-Time Polymerase Chain Reaction , Risk Factors , SARS-CoV-2/genetics , South Carolina/epidemiology , Whole Genome Sequencing , Young Adult
2.
BMC Endocr Disord ; 23(1): 261, 2023 Nov 27.
Article in English | MEDLINE | ID: mdl-38012598

ABSTRACT

BACKGROUND: The health benefits of dietary polyphenol intake (DPI) including improved lipid profiles, blood pressure, insulin resistance, and reduced systemic inflammation has revealed previously. However, the results of numerous studies are not consistent and it seems that these health effects are attributed to some of DPI. In the current research, we evaluated the health benefits of DPI on metabolic markers and glycemic markers among overweight and obese individuals. METHODS: In this cross-sectional study, 487 individuals with overweight and obesity were participated. Dietary intake was assessed by a Food Frequency Questionnaire (FFQ) and the amount of dietary polyphenol intake were calculated based on the information derived from Phenol-Explorer database ( www.phenolexplorer.eu/contents ). Bioelectrical impedance analysis (BIA) was used to measure body composition. Systolic and diastolic blood pressures were measured by sphygmomanometer. Biochemical assays including fasting blood sugar, insulin and serum lipids' concentrations were measured by enzymatic methods. RESULTS: According to our results, males were more likely to be at the highest tertile of DPI (P = 0.04). Also, those at the highest tertile of DPI had higher fat free mass and physical activity level (P < 0.05). Lower TG level in highest tertile of DPI in crude model was also observed, but, it lost its significant threshold after adjustment for confounders. Subjects at the second tertile of DPI were more likely to have lower systolic blood pressure in the sex and age adjusted model [OR = 0.970; CI = 0.940-1.000; P = 0.049]. For other biochemical variables, no significant association was observed. CONCLUSION: In the current study, total dietary polyphenol intake was associated with lower SBP among overweight and obese individuals. Further studies are warranted to better elucidate the observed results.


Subject(s)
Metabolic Syndrome , Overweight , Male , Adult , Humans , Overweight/complications , Metabolic Syndrome/complications , Cross-Sectional Studies , Polyphenols , Body Mass Index , Obesity/complications , Body Composition , Eating
3.
Epidemiology ; 33(6): 797-807, 2022 11 01.
Article in English | MEDLINE | ID: mdl-35944149

ABSTRACT

BACKGROUND: Marine recruits training at Parris Island experienced an unexpectedly high rate of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection, despite preventive measures including a supervised, 2-week, pre-entry quarantine. We characterize SARS-CoV-2 transmission in this cohort. METHODS: Between May and November 2020, we monitored 2,469 unvaccinated, mostly male, Marine recruits prospectively during basic training. If participants tested negative for SARS-CoV-2 by quantitative polymerase chain reaction (qPCR) at the end of quarantine, they were transferred to the training site in segregated companies and underwent biweekly testing for 6 weeks. We assessed the effects of coronavirus disease 2019 (COVID-19) prevention measures on other respiratory infections with passive surveillance data, performed phylogenetic analysis, and modeled transmission dynamics and testing regimens. RESULTS: Preventive measures were associated with drastically lower rates of other respiratory illnesses. However, among the trainees, 1,107 (44.8%) tested SARS-CoV-2-positive, with either mild or no symptoms. Phylogenetic analysis of viral genomes from 580 participants revealed that all cases but one were linked to five independent introductions, each characterized by accumulation of mutations across and within companies, and similar viral isolates in individuals from the same company. Variation in company transmission rates (mean reproduction number R 0 ; 5.5 [95% confidence interval [CI], 5.0, 6.1]) could be accounted for by multiple initial cases within a company and superspreader events. Simulations indicate that frequent rapid-report testing with case isolation may minimize outbreaks. CONCLUSIONS: Transmission of wild-type SARS-CoV-2 among Marine recruits was approximately twice that seen in the community. Insights from SARS-CoV-2 outbreak dynamics and mutations spread in a remote, congregate setting may inform effective mitigation strategies.


Subject(s)
COVID-19 , Disease Outbreaks , Military Personnel , COVID-19/epidemiology , COVID-19/prevention & control , Disease Outbreaks/prevention & control , Female , Humans , Male , Military Personnel/statistics & numerical data , Phylogeny , SARS-CoV-2/genetics , SARS-CoV-2/isolation & purification , United States/epidemiology
4.
Molecules ; 27(3)2022 Jan 31.
Article in English | MEDLINE | ID: mdl-35164230

ABSTRACT

Mole sauce is one of the traditional Mexican foods; it is a complex mixture of ingredients of diverse origins that directly influence its nutritional value. The objective of this study was to investigate the antioxidant properties and nutritional components in five varieties of mole from Hidalgo in Mexico namely verde (V), ranchero (R), almendrado (A), casero (C), and pipian (P). Proximal chemical analysis and determination of the color index and the content of total starch, dietary fiber, mineral content (Ca, Na, K, and Mg), total phenolic content, and antioxidant activity by ABTS (2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)) and DPPH (2,2-diphenylpicrylhydrazyl) were carried out. All the five varieties of mole reported less than 25% moisture content while fat content varied from 42.9% to 58.25%. The color index ranged from a deep orange to a deep red color. A fair percentage of dietary fiber was found in all mole varieties with a low amount of starch as well. The presence of mostly insoluble dietary fiber, high phenolic content (36.13-79.49 mg GAE/100 g), and high antioxidant activity could be considered important strengths to boost the consumption of these traditional preparations. This research will contribute to a better scientific knowledge of traditional Mexican sauces as functional foods or nutraceuticals that could be used to avoid health disorders.


Subject(s)
Antioxidants/analysis , Dietary Fiber , Dietary Supplements/analysis , Nutritive Value , Vegetables/chemistry , Humans , Mexico
5.
J Vasc Interv Radiol ; 31(11): 1817-1824, 2020 Nov.
Article in English | MEDLINE | ID: mdl-33008719

ABSTRACT

PURPOSE: To prospectively evaluate the initial human experience with an absorbable vena cava filter designed for transient protection from pulmonary embolism (PE). MATERIALS AND METHODS: This was a prospective, single-arm, first-in-human study of 8 patients with elevated risk of venous thromboembolism (VTE). Seven absorbable IVC filters (made of polydioxanone that breaks down into H2O and CO2 in 6 mo) were placed prophylactically before orthopedic (n = 5) and gynecologic (n = 2) surgeries, and 1 was placed in a case of deep vein thrombosis. Subjects underwent CT cavography and abdominal radiography before and 5, 11, and 36 weeks after filter placement to assess filter migration, embolization, perforation, and caval thrombosis and/or stenosis. Potential PE was assessed immediately before and 5 weeks after filter placement by pulmonary CT angiography. RESULTS: No symptomatic PE was reported throughout the study or detected at the planned 5-week follow-up. No filter migration was detected based on the fixed location of the radiopaque markers (attached to the stent section of the filter) relative to the vertebral bodies. No filter embolization or caval perforation was detected, and no caval stenosis was observed. Throughout the study, no filter-related adverse events were reported. CONCLUSIONS: Implantation of an absorbable vena cava filter in a limited number of human subjects resulted in 100% clinical success. One planned deployment was aborted as a result of stenotic pelvic veins, resulting in 89% technical success. No PE or filter-related adverse events were observed.


Subject(s)
Absorbable Implants , Polydioxanone/chemistry , Prosthesis Implantation/instrumentation , Pulmonary Embolism/therapy , Vena Cava Filters , Aged , Female , Humans , Male , Middle Aged , Prospective Studies , Prosthesis Design , Prosthesis Implantation/adverse effects , Pulmonary Embolism/diagnostic imaging , Pulmonary Embolism/etiology , Risk Factors , Time Factors , Treatment Outcome
6.
Iran J Psychiatry ; 19(2): 247-254, 2024 Feb.
Article in English | MEDLINE | ID: mdl-38686311

ABSTRACT

Objective: Traditionally, perfectionism has been regarded as a commendable trait in the realm of sports and exercise. However, recent research has uncovered a paradoxical aspect of perfectionism in these domains. This umbrella review seeks to offer a comprehensive overview of the intricate role that perfectionism plays in sport and exercise performance. Method : As an umbrella review, we systematically explored three widely used scientific databases-PubMed, Scopus, and ISI-to identify relevant systematic reviewes and meta-analyses investigating the relationship between perfectionism and sports performance. Results: After careful evaluation, eight studies met our inclusion criteria and were included in the study. These eight eligible studies comprised five systematic reviews and three systematic review and meta-analysis publications. These publications have explored the correlation between perfectionism and sports performance in teenager and adult populations, as well as professional and amateur athletes. Most of the original articles included in these studies had a cross-sectional design and some of them were longitudinal research. All reviewed articles reported a significant correlation between perfectionism and sports performance, regardless of gender and age. In general, the main consensus of these studies is a moderate to high positive correlation between perfectionistic strivings and sports performance, as well as a moderate to high negative correlation between perfectionistic concerns and sports performance. Conclusion: In summary, perfectionism exhibits both positive and negative effects on athlete outcomes. Maladaptive perfectionism is linked to adverse consequences, while adaptive perfectionism can yield positive effects. Promisingly, psychological interventions such as mindfulness-based approaches and ACT-based interventions show potential in reducing perfectionism and enhancing athlete outcomes. Future research should delve deeper into the intricate relationship between perfectionism and athlete performance and continue to devise interventions that counteract the detrimental effects of perfectionistic tendencies.

7.
SAGE Open Med Case Rep ; 12: 2050313X241269572, 2024.
Article in English | MEDLINE | ID: mdl-39157031

ABSTRACT

Implant-supported complete dentures are a common procedure for patients with mandibular edentulism problems. This article documents the protocol for immediate functional loading of fixed transient mandibular prostheses with fully moldable attachments and distal extensions to prevent fractures. A 56-year-old female patient was referred to the Oral Rehabilitation and Implantology Service due to periodontal problems, difficulty in chewing capacity and aesthetic compromise. The patient was treated in a single surgical procedure with dental extractions, guided regularization of the alveolar process and guided placement of five interforaminal implants and placement of functional fixed mandibular prostheses with immediate loading with personalized UCLA'S, distal extensions and short arc occlusal scheme. At 3 months postoperatively, the definitive placement of fixed mandibular metal acrylic prostheses and conventional upper prostheses was performed. The functional and aesthetic integrity of the fixed mandibular prosthesis implant preserved with UCLA'S documents that implant placement in the interforaminal zone with an immediate loading protocol is a viable treatment option for prosthetic rehabilitation of the fully edentulous mandibular arch and that design with distal extensions in the posterior sector of the mandibular arch is an effective option to avoid fracture of the prostheses, presenting a survival of the five mandibular implants of 100% at 1 year postoperatively.

8.
Pathogens ; 13(6)2024 Jun 11.
Article in English | MEDLINE | ID: mdl-38921796

ABSTRACT

BACKGROUND: Arthrobotrys species are nematophagous fungi that secrete extracellular nematocidal products (ECP). The individual and combined effects of ECP from Arthrobotrys oligospora (Ao) and A. musiformis (Am) growth in liquid media against Haemonchus contortus L3 (HcL3) were assessed. METHODS: The isolation, morphological (MI) and molecular identification (Mol-I), assessment of nematocidal activity (NA) of fungal liquid culture filtrates (LCF) in two liquid media alone and in combination and the myco-compound profile identification (MCP) were performed. RESULTS: The MI suggested that the fungi corresponded to the species Ao and Am. This result was confirmed by PCR analysis followed by sequencing, alignment and a phylogenetic analysis. Likewise, the highest Hc mortalities were 91.4% with individual LCF of Am and 86.2% with those of Ao at the highest concentration (100 mg/mL) in Czapek-Dox Broth. The combination of both LCF resulted in a similarly high larval mortality with no statistical differences in relation to individual activity (p > 0.05). The MCP showed the presence of alkaloids in both fungi. Coumarins, sterols and saponins were found only in Ao. MAIN CONCLUSIONS: Both fungi produced ECP with a high NA that could be identified and assessed in future studies as potential natural anthelmintic compounds.

9.
Environ Sci Pollut Res Int ; 31(9): 13046-13062, 2024 Feb.
Article in English | MEDLINE | ID: mdl-38240974

ABSTRACT

Green synthesis (GS), referred to the synthesis using bioactive agents such as plant materials, microorganisms, and various biowastes, prioritizing environmental sustainability, has become increasingly relevant in international scientific practice. The availability of plant resources expands the scope of new exploration opportunities, including the evaluation of new sources of organic extracts, for instance, to the best of our knowledge, no scientific articles have reported the synthesis of zinc oxide nanoparticles (ZnO NPs) from organic extracts of T. recurvata, a parasitic plant very common in semiarid regions of Mexico.This paper presents a greener and more efficient method for synthesizing ZnO NPs using T. recurvata extract as a reducing agent. The nanoparticles were examined by different techniques such as UV-vis spectroscopy, X-ray diffraction, scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and BET surface analysis. The photocatalytic and adsorptive effect of ZnO NPs was investigated against methylene blue (MB) dye in aqueous media under sunlight irradiation considering an equilibrium time under dark conditions. ZnO nanoparticles were highly effective in removing MB under sunlight irradiation conditions, showing low toxicity towards human epithelial cells, making them promising candidates for a variety of applications. This attribute fosters the use of green synthesis techniques for addressing environmental issues.This study also includes the estimation of the supported electric field distributions of ZnO NPs in their individual spherical or rounded shapes and their randomly oriented organization, considering different diameters, by simulating their behavior in the visible wavelength range, observing resonant enhancements due to the strong light-matter interaction around the ZnO NPs boundaries.


Subject(s)
Metal Nanoparticles , Nanoparticles , Tillandsia , Zinc Oxide , Humans , Zinc Oxide/chemistry , Metal Nanoparticles/chemistry , Plant Extracts/chemistry , Nanoparticles/chemistry , Microscopy, Electron, Scanning , Spectroscopy, Fourier Transform Infrared , X-Ray Diffraction , Anti-Bacterial Agents/chemistry , Microbial Sensitivity Tests
10.
Plants (Basel) ; 13(20)2024 Oct 14.
Article in English | MEDLINE | ID: mdl-39458820

ABSTRACT

Melanaphis sorghi is a pest that is native to Africa but is now distributed worldwide. In 2013, its destructive capacity was demonstrated when it devastated sorghum crops in the United States and Mexico, making it a new pest of economic importance in North America. At the time, the phytosanitary authorities of both countries recommended the use of pesticides to control the outbreak, and biological control products for the management of this pest were not known. In response to the outbreak of M. sorghi in North America, several field studies have been performed in the last decade on sorghum crops in the USA and Mexico. Works have focused on assessing resistant sorghum hybrids, pesticide use, and recruitment of associated aphid predators and entomopathogens for natural control of M. sorghi populations. The objective of this review is to compile the information that has been generated in the past decade about indigenous enemies affecting M. sorghi naturally in the field, as well as the search for biological control alternatives and evaluations of interactive effects of resistant sorghum hybrids, pesticides, and natural enemies. To date, different predators, parasitoids, fungi, and bacteria have been evaluated and in many cases found to affect M. sorghi populations in sorghum agroecosystems or laboratory bioassays, and the use of resistant sorghum varieties and pesticides did not have clear toxic effects on natural enemy populations. Many of the macroorganisms and microorganisms that have been evaluated as potential biological controls have shown potential as alternatives to synthetic pesticides for keeping M. sorghi population densities below economic damage thresholds and are compatible with integrated management of sorghum aphids. While most tests of these biological alternatives have shown that they have aphidicidal potential against sorghum aphids, it is crucial to take into account that their effectiveness in the field depends on a number of abiotic and biotic factors, including soil texture, temperature, humidity, and natural enemies.

11.
J Fungi (Basel) ; 10(1)2024 Jan 09.
Article in English | MEDLINE | ID: mdl-38248965

ABSTRACT

This is the first record of the fungus Flavocillium subprimulinum in Mexico. The isolate was taxonomically characterised and cultured in potato dextrose broth (PDB), Czapek-Dox broth (CzDoxB), and sweet potato dextrose broth (SPDB) to obtain its filtrates (FLCF). The nematocidal activity (NA) of three FLCF concentrations was assessed against Haemonchus contortus L3. Protease activity (PA) was assessed with SDS-PAGE, followed by a zymogram. The NA of the FLCF reached 94.43% in PDB and 95.82% in CzDoxB, respectively, at 100 mg/mL. Lower mortality (64%) was found in SPDB at 100 mg/mL. SDS-PAGE showed bands (in PBS) of ~25, ~40, and ~55 kDa. The zymogram showed protein bands (PBs) with PA in the media, including PBs of ~14, ~40, and ~55 kDa. This study establishes the basis for exploring the potential use of this fungus against H. contortus, which is considered the most pathogenic parasite affecting lambs.

12.
RSC Adv ; 14(4): 2391-2401, 2024 Jan 10.
Article in English | MEDLINE | ID: mdl-38213976

ABSTRACT

A simple and green method for the synthesis of six ethyl cinnamates was performed via Horner-Wadsworth-Emmons reaction under microwave irradiation. The photoluminescent properties of all compounds in ethyl acetate solutions were evaluated demonstrating that all compounds exhibit fluorescence. Five compounds exhibited blue emissions in the 369-442 nm range, and another compound exhibited blue-green emission at 504 nm. This last compound showed the largest Stokes shift (134 nm), and the highest quantum yield (17.8%). Two compounds showed extinction coefficient values (ε) higher than 30 000 M-1 cm-1, which are appropriate for cell bioimaging applications. In this sense, cytotoxicity assays were performed using Vero cells at different concentrations; the results showed that these compounds were not cytotoxic at the highest concentration tested (20 µg mL-1). Finally, the analysis by fluorescence microscopy for localization and cellular staining using Vero cells demonstrated that the compounds stained the cytoplasm and the nuclei in a selective way.

13.
Cell Biol Int ; 37(3): 239-41, 2013 Mar.
Article in English | MEDLINE | ID: mdl-23364887

ABSTRACT

Healthy adult cartilage is thought to have little or no capacity to renewal, and cell turnover has not been reported in lung cartilage. We report that chondrocyte turnover occurs in lung cartilage, found in an unrelated study. Lung specimens from CD1 mice of 2, 6, 12, 18 or 24 months were fixed in 10% neutral-buffered formalin and paraffin-embedded. Apoptosis was analysed by in situ end-labelling of fragmented DNA. Proliferating cell nuclear antigen (PCNA) and nestin were examined by immunohistochemistry. Apoptosis and PCNA were detected in lung chondrocytes. Serial section analysis showed that cells in apoptosis were different from PCNA-positive cells, indicating that turnover was occurring. Chondrocytes were negative for nestin. Nestin-positive cells were present in connective tissue associated with cartilage, in some specimens in close proximity of it and in perivascular cells. Thus cell turnover in lung cartilage is possible, which may be mediated by nestin-positive cells.


Subject(s)
Cartilage/cytology , Chondrocytes/physiology , Lung/cytology , Nestin/metabolism , Animals , Apoptosis , Cell Proliferation , Male , Mice , Proliferating Cell Nuclear Antigen/metabolism
15.
Microorganisms ; 11(9)2023 Aug 31.
Article in English | MEDLINE | ID: mdl-37764041

ABSTRACT

Bacteria and yeast are being intensively used to produce biofuels and high-added-value products by using plant biomass derivatives as substrates. The number of microorganisms available for industrial processes is increasing thanks to biotechnological improvements to enhance their productivity and yield through microbial metabolic engineering and laboratory evolution. This is allowing the traditional industrial processes for biofuel production, which included multiple steps, to be improved through the consolidation of single-step processes, reducing the time of the global process, and increasing the yield and operational conditions in terms of the desired products. Engineered microorganisms are now capable of using feedstocks that they were unable to process before their modification, opening broader possibilities for establishing new markets in places where biomass is available. This review discusses metabolic engineering approaches that have been used to improve the microbial processing of biomass to convert the plant feedstock into fuels. Metabolically engineered microorganisms (MEMs) such as bacteria, yeasts, and microalgae are described, highlighting their performance and the biotechnological tools that were used to modify them. Finally, some examples of patents related to the MEMs are mentioned in order to contextualize their current industrial use.

16.
Fungal Biol ; 127(10-11): 1345-1361, 2023.
Article in English | MEDLINE | ID: mdl-37993246

ABSTRACT

A Mexican isolate of the nematophagous fungus Arthrobotrys musiformis was obtained from a soil sample from the Chapultepec ecological reserve zone, in Cuernavaca, Morelos, Mexico. This isolate demonstrated an important predatory activity (74.9%) against the parasitic nematode Haemonchus contortus (L3) and its fungal liquid culture filtrates (LCF) grown in two media showed the following highest nematocidal activities (NA): In Czapek-DoxBroth (CzDoxB) 80.66% and potato-dextrose broth (PDB) 49.84%. Additionally, two major compounds derived from carboxylic acids and two derivates from alkane group were identified by GC-MS. These compounds have been associated to many biological activities. On the other hand, the protein profile analysis by SDS-electrophoresis followed by a zymogram revealed a 10 kDa protein with protease activity. This study provides important information for future experiments focused to explore the potential use of this protein as well as the identified bioactive compounds presents in the LCF as potential candidates against sheep haemonchosis.


Subject(s)
Ascomycota , Haemonchus , Animals , Sheep , Haemonchus/microbiology , Antinematodal Agents , Predatory Behavior , Mexico , Pest Control, Biological/methods , Larva/microbiology
17.
J Phys Condens Matter ; 34(21)2022 03 21.
Article in English | MEDLINE | ID: mdl-35234670

ABSTRACT

In recent years, biodiesel production has emerged as an option for renewable and green fuel generation due to the constant reduction of fossil fuel reservoirs. Biofuels as biodiesel also show valuable attributes, environmentally speaking, due to their low environmental impact, contributing to the achievement of sustainability. However, costs are not allowable for large-scale production. Thereby, several novel processes have been proposed (e.g., reactive distillation) to solve this issue. An inconvenience for the development of these processes is the little information in the literature about the critical properties of fatty acids, which are precursors of biodiesel. Determination of critical properties for fatty acids through experimentation is difficult. The reason is that fatty acids tend to self-associate (to dimerize) due to carboxylic groups presence through hydrogen bonds, and consequently, have higher boiling points than other compounds of similar molecular mass (e.g., hydrocarbons, esters). Therefore, alternative methods for this determination are required. One choice is the group-contribution method, which is based on the structure of the molecule; however, results can significantly vary among different group-contribution approaches. Another alternative (and the focus of this research) for the determination of these properties is molecular simulation techniques. In this work, the liquid-vapor equilibrium as a function of temperature and the surface tension of three pure fatty acids of long chain (linoleic, oleic, and palmitic acid) have been calculated. Simulations have been performed by molecular dynamics using the method of direct determination of phase coexistence with the software GROMACS; in which the transferable potentials for phase equilibria united atom forcefield (TraPPE-UA) have been implemented for these specific molecules. Orthobaric densities and surface tension values have been reported at temperatures near the critical point (from 650 K to 800 K). Critical properties (temperature, pressure, density) have been extrapolated from trajectories obtained in these simulations using scaling law relations. Critical properties for these compounds are not available experimentally, therefore, group contribution calculations from the literature were used as a reference. In this comparison, the palmitic acid properties calculated in this work, show the best agreement among the three substances investigated.


Subject(s)
Biofuels , Molecular Dynamics Simulation , Fatty Acids/chemistry , Gases , Palmitic Acids
18.
iScience ; 25(10): 105202, 2022 Oct 21.
Article in English | MEDLINE | ID: mdl-36168391

ABSTRACT

The ongoing evolution of SARS-CoV-2 requires monitoring the capability of immune responses to cross-recognize Variants of Concern (VOC). In this cross-sectional study, we examined serological and cell-mediated immune memory to SARS-CoV-2 variants, including Omicron, among a cohort of 18-21-year-old Marines with a history of either asymptomatic or mild SARS-CoV-2 infection 6 to 14 months earlier. Among the 210 participants in the study, 169 were unvaccinated while 41 received 2 doses of mRNA-based COVID-19 vaccines. Vaccination of previously infected participants strongly boosted neutralizing and binding activity and memory B and T cell responses including the recognition of Omicron, compared to infected but unvaccinated participants. Additionally, no measurable differences were observed in immune memory in healthy young adults with previous symptomatic or asymptomatic infections, for ancestral or variant strains. These results provide mechanistic immunological insights into population-based differences observed in immunity against Omicron and other variants among individuals with different clinical histories.

19.
J Med Food ; 25(3): 329-337, 2022 Mar.
Article in English | MEDLINE | ID: mdl-34860124

ABSTRACT

The objective of this study was to assay the ovicidal and larvicidal effects of two hydroalcoholic extracts (HA-E) and their aqueous fractions (Aq-F) and organic fractions (EtOAc-F) from Lippia graveolens (leaves) and Delonix regia (flowers) against the parasitic nematode Haemonchus contortus. The egg hatching inhibition test (% EHI) and mortality of infective larvae (% mortality) were used as biological models. The treatments of each plant (mg/mL, % EHI, and % mortality) were assigned as follows: HA-E (12.5-50, EHI; 25-200, mortality), Aq-F (6.25-25.00, EHI; 12.5-50, mortality), EtOAc-F (0.37-25, EHI; 3.12-50, mortality), negative controls (distilled water and methanol at 2% and 4%), and positive control (ivermectin at 5 mg/mL). Data were analyzed using a completely randomized design through an analysis of variance, considering the EHI and mortality percentages as the response variables. To identify the secondary metabolites, both plants were subjected to qualitative chemical analysis and HPLC. The results showed that both plants exhibited highly ovicidal and larvicidal effects. The bipartition in each HA extract allowed the increase of the anthelmintic effect in EtOAc-F, achieving a total ovicidal activity at 1.56 mg/mL and a larvicidal effect higher than 90% at 25 mg/mL. The qualitative chemical profile of both vegetal species identified alkaloids, flavonoids, condensed tannins, terpenes, and saponins. These results suggest that either L. graveolens leaves or D. regia flowers could be potential candidates for the control of parasitic gastrointestinal nematodes in small ruminants. However, in vivo studies with experimental animals to evaluate their possible toxicity and anthelmintic effect are necessary.


Subject(s)
Fabaceae , Haemonchus , Lippia , Animals , Antinematodal Agents/pharmacology , Flowers , Larva , Plant Extracts/chemistry , Plant Extracts/pharmacology , Plant Leaves
20.
Pathogens ; 11(9)2022 Sep 08.
Article in English | MEDLINE | ID: mdl-36145456

ABSTRACT

The nematocidal activity of an Oxalis tetraphylla hydroalcoholic extract against the nematode Haemonchus contortus (Hc) was assessed in vitro and the major compounds associated with nematocidal activity were identified. One hydroalcoholic extract was obtained from O. tetraphylla stems and leaves (Ot HE-SLE). The in vitro lethal concentrations (LC50 and LC90) against both eggs and exsheathed Hc infective larvae (L3) were assessed. Ot HE-SLE showed a potent ovicidal activity (LC50 = 0.213 mg/mL; LC90 = 0.71 mg/mL) and larvicidal effect (LC50 = 28.01 mg/mL; LC90 = 69.3 mg/mL). Later on, the extract was bipartitioned to obtain an ethyl acetate phase (EtOAc-Ph) and an aqueous phase (Aq-Ph). Both phases were assessed against Hc eggs at 0.25 and 1.0 mg/mL concentrations. The results with EtOAc-Ph showed 93.6% ovicidal activity, while 96.6% was recorded with Aq-Ph at 48 h post-confrontation (PC). In the case of larvicidal activity, both phases were assessed at 28 mg/mL; Aq-Ph showed >80% larvicidal activity 24 and 72 h PC, while EtOAc-Ph did not show important activity. HPLC analysis showed the presence of coumaric acid and flavonols. Flavonol compounds were the major compounds and were associated with the nematocidal activity. Additionally, the Aq-Ph that showed the highest activity was purified, and the fraction F3 showed the highest nematocidal activity.

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