Publications by authors named "Carlos de Moura"

This study assessed the impact of low-level laser irradiation on the viability and proliferation of human periodontal ligament stem cells (hPDLSCs) cultivated on polylactic acid (PLA) scaffolds. hPDLSCs were obtained, characterized, and grown on the surface of PLA films produced via the solvent casting technique. The study involved two groups: the control group, which was not exposed to radiation, and the laser group, which was irradiated with a diode laser (InGaAIP) with a power of 30 mW, a wavelength of 660 nm, and a single dose of 1 J/cm² emitted continuously.

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PyCI is a free and open-source Python library for setting up and running arbitrary determinant-driven configuration interaction (CI) computations, as well as their generalizations to cases where the coefficients of the determinant are nonlinear functions of optimizable parameters. PyCI also includes functionality for computing the residual correlation energy, along with the ability to compute spin-polarized one- and two-electron (transition) reduced density matrices. PyCI was originally intended to replace the ab initio quantum chemistry functionality in the HORTON library but emerged as a standalone research tool, primarily intended to aid in method development, while maintaining high performance so that it is suitable for practical calculations.

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Cold atmospheric plasma (CAP) has been employed as a therapy against both acute and chronic skin lesions, contaminated or not, and has effects on angiogenesis and reepithelialization promoting healing. In this context, the present study aimed to evaluate the effects of a CAP jet associated with pharmacological treatment described by the 2015 AAHA/AAFP pain management guidelines and the 2022 WSAVA guidelines for the recognition, assessment, and treatment of pain, on the healing of chronic skin lesions caused by a pruritic reaction resulting from post-surgical neuropathic pain. To this end, a single CAP application was performed on a feline patient with a 6 months old recurrent contaminated cervical skin lesions along with administration of ketamine (10 µg/kg/min) following the prescription of prednisone (1 mg/kg, SID, 6 days), gabapentin (8 mg/kg, BID, 60 days) and amitriptyline (0.

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We present an efficient implementation of multireference algebraic diagrammatic construction theory (MR-ADC) for simulating core-ionized states and X-ray photoelectron spectra (XPS). Taking advantage of spin adaptation, automatic code generation, and density fitting, our implementation can perform calculations for molecules with more than 1500 molecular orbitals, incorporating static and dynamic correlation in the ground and excited electronic states. We demonstrate the capabilities of MR-ADC methods by simulating the XPS spectra of substituted ferrocene complexes and azobenzene isomers.

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Accurate simulations of transient X-ray photoelectron spectra (XPS) provide unique opportunities to bridge the gap between theory and experiment in understanding the photoactivated dynamics in molecules and materials. However, simulating X-ray photoelectron spectra along a photochemical reaction pathway is challenging as it requires accurate description of electronic structure incorporating core-hole screening, orbital relaxation, electron correlation, and spin-orbit coupling in excited states or at nonequilibrium ground-state geometries. In this work, we employ the recently developed multireference algebraic diagrammatic construction theory (MR-ADC) to investigate the core-ionized states and X-ray photoelectron spectra of Fe(CO) and its photodissociation products (Fe(CO), Fe(CO)) following excitation with 266 nm light.

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While titanium dental implants have already been clinically established, ongoing research is continuously being conducted to advance the fields of osseointegration and bacterial resistance, seeking further improvements in these areas. In this study, we introduce an innovative method for treating titanium surfaces within tightly sealed packaging. Specifically, titanium discs, enclosed in surgical-grade packaging, underwent treatment using cold atmospheric plasma (CAP).

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Article Synopsis
  • The study focused on identifying sexual dimorphism in stillborn hawksbill sea turtles by examining the morphological differences in their gonads using various microscopy techniques.
  • Female gonads were characterized by a spindle shape and a grainy texture, while male gonads were ovoid and had a smooth surface, indicating distinct structural differences.
  • Microscopic and ultrastructural analyses revealed unique cellular arrangements in females with oocytes and blood vessels, compared to males, which had testicular cords and distinct cell types, confirming these evaluation methods are reliable for sex determination in these turtles.
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Background: Hystricomorpha rodents display a similar placentation model to humans. The present study was carried out considering the scarcity of information concerning the placental development in agouti.

Objective: Describe the microscopy of the placenta, subplacenta and yolk sac of agoutis in early pregnancy and report on the inversion of the yolk sac.

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  • The greater rhea, a significant wild ratite in Brazil, is important for poultry research focusing on productivity enhancements.
  • Current studies on its fetal attachments and embryonic development are essential for improving reproductive and nutritional management in these animals.
  • This study aimed to standardize the model for fetal attachments in greater rhea, revealing that its embryonic development patterns closely resemble those of other bird species.
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Duchenne Muscular Dystrophy (DMD) reproductive alterations and the influence of antioxidant treatments may aid in understanding morphometry testicular quantification. In this context, the aim of the present study was to characterize the intertubular compartment (ITC) morphometry of animal testes in mdx mice supplemented with ascorbic acid (AA). Sixteen mice were used, namely the C57BL/10 (non-dystrophic) and C57BL/10Mdx (dystrophic) lineages, distributed into the following groups: Control (C60), Dystrophic (D60), Control supplemented with AA (CS60), Dystrophic supplemented with AA (DS60).

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  • * The study investigated the presence and characteristics of steroidogenic cells in the mesonephros of turtle embryos, specifically examining their structure through various microscopy techniques.
  • * Results revealed that these cells display features typical of steroid-producing cells, indicating that the mesonephros may have a key role in the gonadal differentiation of the turtle species P. expansa.
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Morphological studies of the oropharyngeal cavity of chelonians have become an interesting tool in the understanding of evolutionary processes associated with feeding habits in aquatic animals and the transition from aquatic to terrestrial forms. In this context, the aim of the present study was to describe the oropharyngeal cavity floor morphology of hawksbill sea turtle (Eretmochelys imbricata) hatchlings. Ten dead hatchlings of undefined sex were obtained from nests hatched on the coast of the state of Rio Grande do Norte, Brazil.

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A comparison of four approaches to account the vibronic coupling in photoabsorption is performed. The methods considered are nuclear ensemble (NE), direct vibronic coupling (DVC), adiabatic Hessian (AH), and vertical gradient (VG). The case study is the symmetry-forbidden [Formula: see text] [Formula: see text]A[Formula: see text] [Formula: see text] [Formula: see text] [Formula: see text]A[Formula: see text] (n [Formula: see text] [Formula: see text]) transition in formaldehyde.

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Cardiogenesis is similar in all vertebrates, but differences in the valvuloseptal morphogenesis among non-crocodilian reptiles, birds, and mammals are noted. The origin of mesenchymal structures such as valves that regulate the passage of blood and the formation of partial septa that prevent the complete mixing of oxygen-rich and low-oxygen blood present in adult chelonians are essential in the evolutionary understanding of complete septation, endothermy and malformations, even in mammals. In this context, this study analyzed the heart morphogenesis of Podocnemis unifilis (Testudines: Podocnemididae) from the 4th to the 60th day of incubation.

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The determination of arterial vascular distribution patterns can contribute to more detailed knowledge on arterial systems. In this context, the aim of the present study was to describe the collateral aortic branches in the collared peccary, aiming to define a standard model for this species, providing information through comparative anatomy for analysis of some evolutionary aspects of the order Artiodactyla. Ten young male animals were employed.

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We propose a novel approach for an indirect probing of conjugation and hyperconjugation in core-excited molecules using resonant Auger spectroscopy. Our work demonstrates that the changes in the electronic structure of thiophene (CHS) and thiazole (CHNS), occurring in the process of resonant sulfur K-shell excitation and Auger decay, affect the stabilisation energy resulting from π-conjugation and hyperconjugation. The variations in the stabilisation energy manifest themselves in the resonant S KLL Auger spectra of thiophene and thiazole.

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Correction for 'Simulating X-ray photoelectron spectra with strong electron correlation using multireference algebraic diagrammatic construction theory' by Carlos E. V. de Moura and Alexander Yu.

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We present a new theoretical approach for the simulations of X-ray photoelectron spectra of strongly correlated molecular systems that combines multireference algebraic diagrammatic construction theory (MR-ADC) [, 2018, , 204113] with a core-valence separation (CVS) technique. The resulting CVS-MR-ADC approach has a low computational cost while overcoming many challenges of the conventional multireference theories associated with the calculations of excitations from inner-shell and core molecular orbitals. Our results demonstrate that the CVS-MR-ADC methods are as accurate as single-reference ADC approximations for predicting core ionization energies of weakly-correlated molecules, but are more accurate and reliable for systems with a multireference character, such as a stretched nitrogen molecule, ozone, and isomers of the benzyne diradical.

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Glutamine is often used to treat metabolic changes associated with anorexia-cachexia syndrome in patients with malignant neoplasms. Walker 256 tumor is an excellent model for studying these changes associated with cancer in different organs, including injuries in testicular functions. However, the effects of supplementing glutamine on testicular morphometry in this model have not yet been investigated.

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The study investigated the gross and microscopic anatomy of the genital organs of 20 agoutis at different stages of the estrous cycle and four in the final trimester of pregnancy. Specimens were euthanized and their reproductive organs were fixed in a 4% paraformaldehyde or 2.5% glutaraldehyde solution and submitted to routine histological techniques for light and scanning electron microscopy.

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The objective of this study was to evaluate effects of eCG on vascularization and development of feline ovarian tissue xenografted to immunosuppressed mice. Feline ovarian fragments (∼1 mm) were transplanted under the renal capsule of 20 adult, ovariectomized, C57BL/6 SCID female mice. At 45 d after transplantation, 10 mice (controls) were euthanized and the remainder given 10 IU of eCG (and sacrificed 48 h later).

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Fourteen pregnant agouti (Dasyprocta leporina Linnaeus, 1758) females at gestational ages of 30-100days and two at gestational ages of 55-100days, were studied, including 24 embryos/fetuses and two neonates (single offspring from two females). Females were euthanized and embryos/fetuses were examined, measured, and photographed. Embryos at 30days post-copulation were "C-shaped," with paddle-shaped limb buds and 10.

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New onset diabetes after transplantation (NODAT) is a metabolic disorder that affects 40% of patients on immunosuppressive agent (IA) treatment, such as rapamycin (also known as sirolimus). IAs negatively modulate insulin action in peripheral tissues including skeletal muscle, liver and white fat. However, the effects of IAs on insulin sensitivity and thermogenesis in brown adipose tissue (BAT) have not been investigated.

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Objective: This study aimed to describe and compare the characteristics and clinical outcomes of patients with septic and non-septic acute kidney injury.

Methods: This study evaluated an open cohort of 117 critically ill patients with acute kidney injury who were consecutively admitted to an intensive care unit, excluding patients with a history of advanced-stage chronic kidney disease, kidney transplantation, hospitalization or death in a period shorter than 24 hours. The presence of sepsis and in-hospital death were the exposure and primary variables in this study, respectively.

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