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1.
Circ Res ; 134(4): 371-389, 2024 02 16.
Artículo en Inglés | MEDLINE | ID: mdl-38264909

RESUMEN

BACKGROUND: Heart failure with preserved ejection fraction (HFpEF) is a common but poorly understood form of heart failure, characterized by impaired diastolic function. It is highly heterogeneous with multiple comorbidities, including obesity and diabetes, making human studies difficult. METHODS: Metabolomic analyses in a mouse model of HFpEF showed that levels of indole-3-propionic acid (IPA), a metabolite produced by gut bacteria from tryptophan, were reduced in the plasma and heart tissue of HFpEF mice as compared with controls. We then examined the role of IPA in mouse models of HFpEF as well as 2 human HFpEF cohorts. RESULTS: The protective role and therapeutic effects of IPA were confirmed in mouse models of HFpEF using IPA dietary supplementation. IPA attenuated diastolic dysfunction, metabolic remodeling, oxidative stress, inflammation, gut microbiota dysbiosis, and intestinal epithelial barrier damage. In the heart, IPA suppressed the expression of NNMT (nicotinamide N-methyl transferase), restored nicotinamide, NAD+/NADH, and SIRT3 (sirtuin 3) levels. IPA mediates the protective effects on diastolic dysfunction, at least in part, by promoting the expression of SIRT3. SIRT3 regulation was mediated by IPA binding to the aryl hydrocarbon receptor, as Sirt3 knockdown diminished the effects of IPA on diastolic dysfunction in vivo. The role of the nicotinamide adenine dinucleotide circuit in HFpEF was further confirmed by nicotinamide supplementation, Nnmt knockdown, and Nnmt overexpression in vivo. IPA levels were significantly reduced in patients with HFpEF in 2 independent human cohorts, consistent with a protective function in humans, as well as mice. CONCLUSIONS: Our findings reveal that IPA protects against diastolic dysfunction in HFpEF by enhancing the nicotinamide adenine dinucleotide salvage pathway, suggesting the possibility of therapeutic management by either altering the gut microbiome composition or supplementing the diet with IPA.


Asunto(s)
Cardiomiopatías , Insuficiencia Cardíaca , Propionatos , Sirtuina 3 , Humanos , Ratones , Animales , Insuficiencia Cardíaca/metabolismo , Volumen Sistólico/fisiología , NAD , Sirtuina 3/genética , Indoles/farmacología , Niacinamida
2.
Proc Natl Acad Sci U S A ; 119(11): e2118278119, 2022 03 15.
Artículo en Inglés | MEDLINE | ID: mdl-35263220

RESUMEN

SignificanceThe photosensitizer is one of the important components in the photocatalytic system. Molecular photosensitizers have well-defined structures, which is beneficial in revealing the catalysis mechanism and helpful for further structural design and performance optimization. However, separation and recycling of the molecular photosensitizers is a great problem. Loading them into/on two/three-dimensional supports through covalent bonds, electrostatic interactions, and supramolecular interactions is a method that enhances their separation and recycling capability. Nonetheless, the structures of the resulting composites are unclear. Thus, the development of highly crystalline heterogeneity methods for molecular photosensitizers, albeit greatly challenging, is meaningful and desirable in photocatalysis, through which heterogeneous photosensitizers with well-defined structures, definite catalysis mechanisms, and good catalytic performance would be expected.


Asunto(s)
Fármacos Fotosensibilizantes , Catálisis , Estructura Molecular , Fármacos Fotosensibilizantes/química
3.
Chemistry ; 30(7): e202303345, 2024 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-37964711

RESUMEN

Homonuclear dual-atomic catalysts showcase unique electronic modulation due to their dual metal centres, providing new direction in development of efficient catalysts for CO2 electroreduction. This article highlights a few cutting-edge homonuclear dual-atomic catalysts, focusing on their inherent advantages in efficient and selective CO2 electroreduction, to spotlight the potential application of dual-atomic catalysts in CO2 electroreduction.

4.
Arch Microbiol ; 206(4): 164, 2024 Mar 14.
Artículo en Inglés | MEDLINE | ID: mdl-38483645

RESUMEN

Refined indigenous Saccharomyces cerevisiae can enhance refinement, sophistication, and subtlety of fruit wines by showcasing exceptional regional characteristics. In order to identify exceptional indigenous S. cerevisiae strains from Yunnan olive, this study isolated 60 yeast strains from wild Yunnan olive fermentation mash. The five S. cerevisiae strains were subjected to morphological and molecular biological identification, followed by evaluation of their fermentation performance, ethanol production capacity, ester production capacity, H2S production capacity, killing capacity, and tolerance. Strains LJM-4, LJM-10, and LJM-26 exhibited robust tolerance to 6% ethanol volume fraction, pH 2.8, sucrose concentration of 400 g/L, SO2 concentration of 0.3 g/L, glucose concentration of 400 g/L at both 40 °C and 15 °C. Additionally, strain LJM-10 demonstrated a faster fermentation rate compared to the other strains. Among the tested S. cerevisiae strains evaluated in this study for olive wine fermentation process in Yunnan region; strain LJM-10 displayed superior abilities in terms of ester and ethanol production while exhibiting the lowest H2S production levels. These findings suggest that strain LJM-10 holds great potential as an excellent candidate for optimizing fruit wine S. cerevisiae fermentation processes in Yunnan olive fruit wine.


Asunto(s)
Olea , Vino , Saccharomyces cerevisiae/genética , Fermentación , China , Vino/análisis , Etanol/análisis , Ésteres
5.
Arch Microbiol ; 206(6): 279, 2024 May 28.
Artículo en Inglés | MEDLINE | ID: mdl-38805051

RESUMEN

Yeast, which plays a pivotal role in the brewing, food, and medical industries, exhibits a close relationship with human beings. In this study, we isolated and purified 60 yeast strains from the natural fermentation broth of Sidamo coffee beans to screen for indigenous beneficial yeasts. Among them, 25 strains were obtained through morphological characterization on nutritional agar medium from Wallerstein Laboratory (WL), with molecular biology identifying Saccharomyces cerevisiae strain YBB-47 and the remaining 24 yeast strains identified as Pichia kudriavzevii. We investigated the fermentation performance, alcohol tolerance, SO2 tolerance, pH tolerance, sugar tolerance, temperature tolerance, ester production capacity, ethanol production capacity, H2S production capacity, and other brewing characteristics of YBB-33 and YBB-47. The results demonstrated that both strains could tolerate up to 3% alcohol by volume at a high sucrose mass concentration (400 g/L) under elevated temperature conditions (40 ℃), while also exhibiting a remarkable ability to withstand an SO2 mass concentration of 300 g/L at pH 3.2. Moreover, S. cerevisiae YBB-47 displayed a rapid gas production rate and strong ethanol productivity. whereas P. kudriavzevii YBB-33 exhibited excellent alcohol tolerance. Furthermore, this systematic classification and characterization of coffee bean yeast strains from the Sidamo region can potentially uncover additional yeasts that offer high-quality resources for industrial-scale coffee bean production.


Asunto(s)
Etanol , Fermentación , Pichia , Saccharomyces cerevisiae , Saccharomyces cerevisiae/metabolismo , Saccharomyces cerevisiae/genética , Saccharomyces cerevisiae/aislamiento & purificación , Pichia/metabolismo , Pichia/aislamiento & purificación , Pichia/genética , Pichia/clasificación , Etanol/metabolismo , Concentración de Iones de Hidrógeno , Café/microbiología , Coffea/microbiología , Temperatura , Semillas/microbiología , Sulfuro de Hidrógeno/metabolismo
6.
Phys Chem Chem Phys ; 26(7): 6155-6163, 2024 Feb 14.
Artículo en Inglés | MEDLINE | ID: mdl-38299862

RESUMEN

We characterize the low-lying excited electronic states of a series of bis-phenanthrenes using our newly developed diabatic scheme called the fragment particle-hole density (FPHD) method and calculate both the electronic absorption and circular dichroism (ECD) spectra using the time-dependent density functional theory (TDDFT) and the FPHD-based exciton model which couples intrachromophore local excitations (LEs) and the interchromophore charge-transfer excitations (CTEs). TDDFT treats each bis-phenanthrene as a single molecule while the mixed LE-CTE exciton model partitions the molecule into two phenanthrene-based aromatic moieties, and then applies the electronic coupling between the various quasi-diabatic states to cover the interactions. It is found that TDDFT and the mixed LE-CTE model reproduce all experimentally observed trends in the spectral profiles, and the hybridization between LE and CTE states is displayed differently in absorption and ECD spectral intensities, as it usually decreases the absorption maxima and affects the positive/negative extrema of the ECD irregularly. By comparing the results yielded by the LE-CTE model with and without the LE-CTE coupling, we identify the contribution of CTE on the main dipole-allowed transitions.

7.
J Chem Phys ; 160(12)2024 Mar 28.
Artículo en Inglés | MEDLINE | ID: mdl-38530009

RESUMEN

The electron-phonon scattering plays a crucial role in determining the electronic, transport, optical, and thermal properties of materials. Here, we employ a non-Markovian stochastic Schrödinger equation (NMSSE) in momentum space, together with ab initio calculations for energy bands and electron-phonon interactions, to reveal the phonon-mediated ultrafast hole relaxation dynamics in the valence bands of monolayer black phosphorus. Our numerical simulations show that the hole can initially remain in the high-energy valence bands for more than 100 fs due to the weak interband scatterings, and its energy relaxation follows single-exponential decay toward the valence band maximum after scattering into low-energy valence bands. The total relaxation time of holes is much longer than that of electrons in the conduction band. This suggests that harnessing the excess energy of holes may be more effective than that of electrons. Compared to the semiclassical Boltzmann equation based on a hopping model, the NMSSE highlights the persistence of quantum coherence for a long time, which significantly impacts the relaxation dynamics. These findings complement the understanding of hot carrier relaxation dynamics in two-dimensional materials and may offer novel insights into harnessing hole energy in photocatalysis.

8.
Curr Microbiol ; 81(4): 99, 2024 Feb 19.
Artículo en Inglés | MEDLINE | ID: mdl-38372800

RESUMEN

A novel Gram-stain-positive, oval-shaped, and non-flagellated bacterial strain YIM S02556T was isolated from forest soil in Xiongbi Town, Shizong County, Qujing City, Yunnan Province, southwestern China. The strain exhibited high pairwise 16 S rRNA gene sequence similarity with Psychromicrobium lacuslunae (97.3%) and Psychromicrobium silvestre (96.3%). Strain YIM S02556T exhibited an average nucleotide identity (ANI) of 72.5% with P. lacuslunae IHBB 11,108T and 72.8% ANI with P. silvestre AK 20-18T. The digital DNA-DNA hybridization (dDDH) value between strain YIM S02556T and P. lacuslunae IHBB 11,108T was 20.2%, while with P. silvestre AK 20-18T, the dDDH value was 20.8%. Strain YIM S02556T exhibited optimal growth at 28 °C, pH 7.0, without NaCl. Growth occurred within 10-37 ℃, pH 5.0-8.0, and in the presence of up to 5% w/v NaCl concentration. The genome size was 3.1 Mbp with 64.2% G + C content. The predominant menaquinone was MK-8(H4). The major cellular fatty acid was anteiso-C15:0. Based on the polyphasic analysis, strain YIM S02556T (= KCTC 49,805T = CCTCC AB2020166T) represents a novel Psychromicrobium species in which the name Psychromicrobium xiongbiense sp.nov. was proposed.


Asunto(s)
Bosques , Cloruro de Sodio , China , Suelo , ADN
9.
J Comput Chem ; 44(27): 2158-2159, 2023 Oct 15.
Artículo en Inglés | MEDLINE | ID: mdl-37452599

RESUMEN

We comment on an excited-state localization method recently proposed by Blanc et al. (J. Comput. Chem. 2023, 44, 105). Elaborate comparisons are made to demonstrate that their method is a less-comprehensive version of the diabatization method proposed by us 2 years earlier (J. Phys. Chem. Lett. 2021, 12, 1032).

10.
Dysphagia ; 38(1): 171-180, 2023 02.
Artículo en Inglés | MEDLINE | ID: mdl-35482213

RESUMEN

The hyoid bone excursion is one of the most important gauges of larynx elevation in swallowing, contributing to airway protection and bolus passage into the esophagus. However, the implications of various parameters of hyoid bone excursion, such as the horizontal or vertical displacement and velocity, remain elusive and raise the need for a tool providing automatic kinematics analysis. Several conventional and deep learning-based models have been applied automatically to track the hyoid bone, but previous methods either require partial manual localization or do not transform the trajectory by anatomic axis. This work describes a convolutional neural network-based algorithm featuring fully automatic hyoid bone localization and tracking and spine axis determination. The algorithm automatically estimates the hyoid bone trajectory and calculates several physical quantities, including the average velocity and displacement in horizontal or vertical anatomic axis. The model was trained in a dataset of 365 videos of videofluoroscopic swallowing from 189 patients in a tertiary medical center and tested using 44 videos from 44 patients with different dysphagia etiologies. The algorithm showed high detection rates for the hyoid bone. The results showed excellent inter-rater reliability for hyoid bone detection, good-to-excellent inter-rater reliability for calculating the maximal displacement and the average velocity of the hyoid bone in horizontal or vertical directions, and moderate-to-good reliability in calculating the average velocity in horizontal direction. The proposed algorithm allows for complete automatic kinematic analysis of hyoid bone excursion, providing a versatile tool with high potential for clinical applications.


Asunto(s)
Aprendizaje Profundo , Trastornos de Deglución , Humanos , Hueso Hioides/diagnóstico por imagen , Reproducibilidad de los Resultados , Fluoroscopía/métodos , Trastornos de Deglución/diagnóstico por imagen , Trastornos de Deglución/etiología , Deglución
11.
J Formos Med Assoc ; 122(5): 411-418, 2023 May.
Artículo en Inglés | MEDLINE | ID: mdl-36588052

RESUMEN

PURPOSE: To explore the mandibular condylar movements in patients with temporomandibular joint (TMJ) disorders using kinematic magnetic resonance imaging (MRI). METHODS: We retrospectively recruited patients who were clinically diagnosed with internal derangement of the TMJ and referred to our center for MRI examination. The TMJ discs were categorized into normal disc (ND), anteriorly displaced disc (ADD), and disc with destruction (DD) groups using static images obtained in the closed-mouth view. The difference between the "open-mouth" and "closed-mouth" views on kinematic MRI was used to calculate the condylar translation and rotation. Two radiologists consensually performed the image readings and measurements. One-way analysis of variance and chi-squared test were used to compare the variables in the three groups. Pearson's correlation and general linear models were used to evaluate the correlation and differences between condylar translation and rotation in the three groups. RESULTS: This study included 98 TMJs from 54 patients. Twenty-six, 49, and 23 TMJs were classified as ND, ADD, and DD, respectively. Condylar rotation and translation demonstrated a significant correlation in all TMJs examined (r = 0.635, p < 0.001), with similar coefficients for all groups. The mean condylar translation in the ND group was greater than that in the ADD and DD groups (ND versus ADD: p = 0.003; ND versus DD: p = 0.002). However, the change in condylar rotation was not affected by the disc status (ND as reference; DD∗condylar translation: coefficient = 0.341, p = 0.332; ADD∗condylar translation: coefficient = -0.100, p = 0.696). CONCLUSION: Kinematic MRI studies revealed that TMJ condylar translation was correlated with its rotation for all disc statuses.


Asunto(s)
Luxaciones Articulares , Trastornos de la Articulación Temporomandibular , Humanos , Cóndilo Mandibular/diagnóstico por imagen , Fenómenos Biomecánicos , Estudios Retrospectivos , Trastornos de la Articulación Temporomandibular/diagnóstico por imagen , Trastornos de la Articulación Temporomandibular/patología , Imagen por Resonancia Magnética/métodos , Articulación Temporomandibular/diagnóstico por imagen
12.
J Formos Med Assoc ; 122(6): 442-457, 2023 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-36347733

RESUMEN

Psoriatic disease is a chronic inflammatory disorder with skin and joint manifestations. Due to the persistent inflammatory state exhibited by patients with psoriasis, multiple systemic comorbidities occur more frequently in patients with psoriasis than in the general population, and the risk of cardiovascular (CV) diseases is significantly increased. As the pathophysiology of psoriatic disease is becoming better understood, the sharing of underlying pathogenic mechanisms between psoriatic and CV diseases is becoming increasingly apparent. Consequently, careful attention to CV comorbidities that already exist or may potentially develop is needed in the management of patients with psoriasis, particularly in the screening and primary prevention of CV disease and in treatment selection due to potential drug-drug and drug-disease interactions. Furthermore, as the use of effective biologic therapy and more aggressive oral systemic treatment for psoriatic disease is increasing, consideration of the potential positive and negative effects of oral and biologic treatment on CV disease is warranted. To improve outcomes and quality of care for patients with psoriasis, the Taiwanese Dermatological Association, the Taiwanese Association for Psoriasis and Skin Immunology, and the Taiwan Society of Cardiology established a Task Force of 20 clinicians from the fields of dermatology, cardiology, and rheumatology to jointly develop consensus expert recommendations for the management of patients with psoriatic disease with attention to CV comorbidities.


Asunto(s)
Artritis Psoriásica , Cardiología , Enfermedades Cardiovasculares , Psoriasis , Humanos , Artritis Psoriásica/tratamiento farmacológico , Taiwán/epidemiología , Consenso , Psoriasis/terapia , Psoriasis/tratamiento farmacológico , Enfermedades Cardiovasculares/epidemiología
13.
Acta Cardiol Sin ; 39(1): 4-96, 2023 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-36685161

RESUMEN

Coronary artery disease (CAD) covers a wide spectrum from persons who are asymptomatic to those presenting with acute coronary syndromes (ACS) and sudden cardiac death. Coronary atherosclerotic disease is a chronic, progressive process that leads to atherosclerotic plaque development and progression within the epicardial coronary arteries. Being a dynamic process, CAD generally presents with a prolonged stable phase, which may then suddenly become unstable and lead to an acute coronary event. Thus, the concept of "stable CAD" may be misleading, as the risk for acute events continues to exist, despite the use of pharmacological therapies and revascularization. Many advances in coronary care have been made, and guidelines from other international societies have been updated. The 2023 guidelines of the Taiwan Society of Cardiology for CAD introduce a new concept that categorizes the disease entity according to its clinical presentation into acute or chronic coronary syndromes (ACS and CCS, respectively). Previously defined as stable CAD, CCS include a heterogeneous population with or without chest pain, with or without prior ACS, and with or without previous coronary revascularization procedures. As cardiologists, we now face the complexity of CAD, which involves not only the epicardial but also the microcirculatory domains of the coronary circulation and the myocardium. New findings about the development and progression of coronary atherosclerosis have changed the clinical landscape. After a nearly 50-year ischemia-centric paradigm of coronary stenosis, growing evidence indicates that coronary atherosclerosis and its features are both diagnostic and therapeutic targets beyond obstructive CAD. Taken together, these factors have shifted the clinicians' focus from the functional evaluation of coronary ischemia to the anatomic burden of disease. Research over the past decades has strengthened the case for prevention and optimal medical therapy as central interventions in patients with CCS. Even though functional capacity has clear prognostic implications, it does not include the evaluation of non-obstructive lesions, plaque burden or additional risk-modifying factors beyond epicardial coronary stenosis-driven ischemia. The recommended first-line diagnostic tests for CCS now include coronary computed tomographic angiography, an increasingly used anatomic imaging modality capable of detecting not only obstructive but also non-obstructive coronary plaques that may be missed with stress testing. This non-invasive anatomical modality improves risk assessment and potentially allows for the appropriate allocation of preventive therapies. Initial invasive strategies cannot improve mortality or the risk of myocardial infarction. Emphasis should be placed on optimizing the control of risk factors through preventive measures, and invasive strategies should be reserved for highly selected patients with refractory symptoms, high ischemic burden, high-risk anatomies, and hemodynamically significant lesions. These guidelines provide current evidence-based diagnosis and treatment recommendations. However, the guidelines are not mandatory, and members of the Task Force fully realize that the treatment of CCS should be individualized to address each patient's circumstances. Ultimately, the decision of healthcare professionals is most important in clinical practice.

14.
Acta Cardiol Sin ; 39(6): 783-806, 2023 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-38022422

RESUMEN

Cardiac rehabilitation is a comprehensive intervention recommended in international and Taiwanese guidelines for patients with acute myocardial infarction. Evidence supports that cardiac rehabilitation improves the health-related quality of life, enhances exercise capacity, reduces readmission rates, and promotes survival in patients with cardiovascular disease. The cardiac rehabilitation team is comprehensive and multidisciplinary. The inpatient, outpatient, and maintenance phases are included in cardiac rehabilitation. All patients admitted with acute myocardial infarction should be referred to the rehabilitation department as soon as clinically feasible. Pre-exercise evaluation, including exercise testing, helps physicians identify the risks of cardiac rehabilitation and organize appropriate exercise prescriptions. Therefore, the Taiwan Myocardial Infarction Society (TAMIS), Taiwan Society of Cardiology (TSOC), and Taiwan Academy of Cardiovascular and Pulmonary Rehabilitation (TACVPR) address this consensus statement to assist healthcare practitioners in performing cardiac rehabilitation in patients with acute myocardial infarction.

15.
Clin Infect Dis ; 75(2): 278-287, 2022 08 25.
Artículo en Inglés | MEDLINE | ID: mdl-34718451

RESUMEN

BACKGROUND: Neutralizing anti-granulocyte-macrophage colony-stimulating factor (GM-CSF) autoantibodies (AAbs) have been increasingly recognized to predispose healthy individuals to disseminated cryptococcosis. However, studies have only considered patients with central nervous system (CNS) infection. No longitudinal study has captured the disease spectrum and clinical course. METHODS: We prospectively enrolled adults without human immunodeficiency virus infection who had disseminated or unusual cryptococcosis. We compared the demographics, clinical features, kinetics of serum cryptococcal antigen (CrAg) titers, anti-GM-CSF AAb concentrations, and treatment outcomes between patients with (case patients) and without (control patients) anti-GM-CSF AAbs. Additional reports from the literature were also reviewed. RESULTS: Twenty-three patients were enrolled, of whom 6 tested positive for anti-GM-CSF AAbs. All case patients with positive fungal cultures (5/5 [100%]) were infected with Cryptococcus gattii VGII. Among them, 3 had exclusively pulmonary involvement, and 1 had only musculoskeletal lesions. Patients with CNS cryptococcosis exhibited a higher serum concentration of anti-GM-CSF AAbs than those with extraneural cryptococcosis. Case patients had higher initial and peak levels of serum CrAg and longer duration of antigenemia compared with the control patients. All case patients who had completed antifungal therapy had favorable outcomes without recurrence. CONCLUSIONS: Testing for anti-GM-CSF AAbs should be considered for not only previously healthy patients with disseminated cryptococcosis but also those with unexplained, localized cryptococcosis. Recurrence after completion of antifungal therapy was rare despite the persistence of anti-GM-CSF AAbs.


Asunto(s)
Autoanticuerpos , Criptococosis , Adulto , Antifúngicos/uso terapéutico , Antígenos Fúngicos , Sistema Nervioso Central , Criptococosis/diagnóstico , Criptococosis/tratamiento farmacológico , Estudios de Seguimiento , Factor Estimulante de Colonias de Granulocitos y Macrófagos/inmunología , Humanos , Factor Estimulante de Colonias de Macrófagos/uso terapéutico
16.
Environ Sci Technol ; 56(15): 11061-11070, 2022 08 02.
Artículo en Inglés | MEDLINE | ID: mdl-35861712

RESUMEN

Capturing precipitation-based episodes is a longstanding issue for estimating tributary loads; however, wind-driven resuspension in Lake Huron creates similar uncertainties in its estimated load to Lake Erie. Recent suggestions that the phosphorus load from Lake Huron is underestimated because sampling frequencies miss contributions from resuspension events are speculative because they did not include direct load measurements, address all resuspension regions, or assess the potential bioavailability of the load. We address these shortcomings by evaluating Lake Huron's nearshore regions, characterizing the biological availability of the load, and providing direct comparisons of load estimates with and without the resuspended load. We show that total phosphorus concentrations in Lake Huron and the St. Clair River are higher during resuspension events and that bioavailability of that material is comparable to that reported elsewhere. New load estimates, based on continuous turbidity measurements converted to phosphorus through P-turbidity relationships, were almost 90% higher than traditional load estimates, providing empirical evidence for the significantly underestimated previous load. This confirmation is important because if the Lake Huron load is not decreased, reductions from other sources would be needed to meet the overall reduction targets set by the binational Great Lakes Water Quality Agreement.


Asunto(s)
Lagos , Fósforo , Monitoreo del Ambiente , Sedimentos Geológicos , Fósforo/análisis , Ríos , Viento
17.
Phys Chem Chem Phys ; 24(5): 2974-2987, 2022 Feb 02.
Artículo en Inglés | MEDLINE | ID: mdl-35043813

RESUMEN

The vibrationally resolved absorption spectra and ultrafast exciton dynamics in α-phase and ß-phase zinc phthalocyanine (ZnPc) aggregates are theoretically investigated using a non-Markovian stochastic Schrödinger equation combined with first-principles calculations. It is found that although similar double-peak structures arise in the Q-band region of the absorption spectra in both phases, these peaks are different in nature and exhibit distinct types of behavior with respect to the aggregation length. The analysis on the basis of an effective two-state model indicates that the two absorption peaks in the α phase are from mixing between the charge-transfer (CT) state and the bright Frenkel exciton (FE) state. By contrast, in the ß-phase, the low-energy peak is solely contributed by a low-lying bright FE state, whereas the high-energy peak originates from the interplay between the CT state and another high-lying bright FE state. For the relaxation processes right after photoexcitation from the Q-band region, it is found that within the first dozens of femtoseconds the ZnPc aggregates of both phases tend to temporarily fall into some intermediate states where the population distribution and average electronic energy do not obviously evolve. In addition, it is found that the optical transition of the low-lying bright FE state in the ß phase is not favorable for the formation of bound CT states due to the absence of enough driving forces.

18.
Nutr Metab Cardiovasc Dis ; 32(8): 1944-1954, 2022 08.
Artículo en Inglés | MEDLINE | ID: mdl-35752545

RESUMEN

BACKGROUND AND AIMS: The associations between dyslipidemia and coronary artery calcium (CAC) are controversial. We investigated their cross-sectional relationships and developed a predictive scoring system for prognostically significant coronary calcification (PSCC). METHODS AND RESULTS: This study evaluated the lipid profiles and the CAC score (CACS) measured through multidetector computed tomography (MDCT) among Taiwanese adult patients in a tertiary hospital between 2011 and 2016. Patients with CACS higher than 100 were classified as having PSCC. Dyslipidemia for each lipid component was defined based on the clinical cutoffs or the use of the lipid-lowering agents. Multivariable logistic regression was used to assess the association between dyslipidemia and PSCC and the model performance was assessed using calibration plot, discrimination, and a decision curve analysis. Of the 3586 eligible patients, 364 (10.2%) had PSCC. Increased age, male sex, higher body mass index (BMI), and higher level of triglyceride (TG) were associated with PSCC. The adjusted odds ratios (95% confidence intervals) of PSCC was 1.15 (0.90-1.47) for dyslipidemia defined by total cholesterol (TC) ≥200 mg/dL, 1.06 (0.83-1.35) for low-density-lipoprotein-cholesterol (LDL-C) ≥130 mg/dL, and 1.36 (1.06-1.75) for TG ≥ 200 mg/dL. The positive association between TG ≥ 200 mg/dL and PSCC was not modified by sex. Incorporating hypertriglyceridemia did not significantly improve the predictive performance of the base model comprising of age, sex, BMI, smoking, hypertension, diabetes, estimated glomerular filtration rate, and fasting glucose. CONCLUSIONS: Hypertriglyceridemia was significantly associated with the prevalent odds of PSCC. Our proposed predictive model may be a useful screening tool for PSCC.


Asunto(s)
Calcinosis , Enfermedad de la Arteria Coronaria , Dislipidemias , Hipertrigliceridemia , Calcificación Vascular , Adulto , Calcinosis/diagnóstico , Calcio , LDL-Colesterol , Enfermedad de la Arteria Coronaria/diagnóstico por imagen , Enfermedad de la Arteria Coronaria/epidemiología , Dislipidemias/diagnóstico , Dislipidemias/epidemiología , Humanos , Hipertrigliceridemia/diagnóstico , Masculino , Nomogramas , Factores de Riesgo , Triglicéridos , Calcificación Vascular/diagnóstico por imagen , Calcificación Vascular/epidemiología
19.
J Chem Phys ; 156(20): 204116, 2022 May 28.
Artículo en Inglés | MEDLINE | ID: mdl-35649844

RESUMEN

A new diagrammatic quantum Monte Carlo approach is proposed to deal with the imaginary time propagator involving both dynamic disorder (i.e., electron-phonon interactions) and static disorder of local or nonlocal nature in a unified and numerically exact way. The establishment of the whole framework relies on a general reciprocal-space expression and a generalized Wick's theorem for the static disorder. Since the numerical cost is independent of the system size, various physical quantities, such as the thermally averaged coherence, Matsubara one-particle Green's function, and current autocorrelation function, can be efficiently evaluated in the thermodynamic limit (infinite in the system size). The validity and performance of the proposed approach are systematically examined in a broad parameter regime. This approach, combined with proper numerical analytic continuation methods and first-principles calculations, is expected to be a versatile tool toward the calculation of various transport properties, such as mobilities in realistic semiconductors involving multiple electronic energy bands, high-frequency optical and low-frequency acoustic phonons, different forms of dynamic and static disorders, and anisotropy.

20.
BMC Ophthalmol ; 22(1): 483, 2022 Dec 12.
Artículo en Inglés | MEDLINE | ID: mdl-36510171

RESUMEN

BACKGROUND: To verify efficacy of automatic screening and classification of glaucoma with deep learning system. METHODS: A cross-sectional, retrospective study in a tertiary referral hospital. Patients with healthy optic disc, high-tension, or normal-tension glaucoma were enrolled. Complicated non-glaucomatous optic neuropathy was excluded. Colour and red-free fundus images were collected for development of DLS and comparison of their efficacy. The convolutional neural network with the pre-trained EfficientNet-b0 model was selected for machine learning. Glaucoma screening (Binary) and ternary classification with or without additional demographics (age, gender, high myopia) were evaluated, followed by creating confusion matrix and heatmaps. Area under receiver operating characteristic curve (AUC), accuracy, sensitivity, specificity, and F1 score were viewed as main outcome measures. RESULTS: Two hundred and twenty-two cases (421 eyes) were enrolled, with 1851 images in total (1207 normal and 644 glaucomatous disc). Train set and test set were comprised of 1539 and 312 images, respectively. If demographics were not provided, AUC, accuracy, precision, sensitivity, F1 score, and specificity of our deep learning system in eye-based glaucoma screening were 0.98, 0.91, 0.86, 0.86, 0.86, and 0.94 in test set. Same outcome measures in eye-based ternary classification without demographic data were 0.94, 0.87, 0.87, 0.87, 0.87, and 0.94 in our test set, respectively. Adding demographics has no significant impact on efficacy, but establishing a linkage between eyes and images is helpful for a better performance. Confusion matrix and heatmaps suggested that retinal lesions and quality of photographs could affect classification. Colour fundus images play a major role in glaucoma classification, compared to red-free fundus images. CONCLUSIONS: Promising results with high AUC and specificity were shown in distinguishing normal optic nerve from glaucomatous fundus images and doing further classification.


Asunto(s)
Aprendizaje Profundo , Glaucoma , Disco Óptico , Humanos , Estudios de Casos y Controles , Estudios Retrospectivos , Estudios Transversales , Disco Óptico/diagnóstico por imagen , Disco Óptico/patología , Fondo de Ojo , Glaucoma/patología , Curva ROC
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