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1.
Vet Res Commun ; 48(5): 3263-3270, 2024 Oct.
Article in English | MEDLINE | ID: mdl-39133400

ABSTRACT

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 (0.5 mg /kg, SID, 60 days). A single application of plasma associated with an NMDA antagonist, anti-inflammatory steroid, tricyclic antidepressant and gabapentinoid thus provided a significant improvement in the macroscopic appearance of the lesion within 10 days, and the owner reported the cessation of intense itching within the first four hours after treatment and a consequent improvement in the animal's quality of life. The medical treatment was finished almost a year since the writing of this paper, without clinical or reported recurrent signs of the condition. Therefore, we observed that single dose CAP application associated with ketamine, gabapentin, amitriptyline and prednisone leads to significant healing of chronically infected skin lesions resulting from post-surgical neuropathic pain.


Subject(s)
Analgesics , Cat Diseases , Ketamine , Neuralgia , Plasma Gases , Animals , Cats , Neuralgia/veterinary , Neuralgia/drug therapy , Neuralgia/etiology , Plasma Gases/therapeutic use , Plasma Gases/pharmacology , Cat Diseases/drug therapy , Ketamine/administration & dosage , Ketamine/therapeutic use , Analgesics/therapeutic use , Analgesics/administration & dosage , Pain, Postoperative/veterinary , Pain, Postoperative/drug therapy , Gabapentin/therapeutic use , Gabapentin/administration & dosage , Male , Amitriptyline/therapeutic use , Amitriptyline/administration & dosage , Prednisone/therapeutic use , Prednisone/administration & dosage , Combined Modality Therapy/veterinary , Female
2.
J Phys Chem A ; 128(28): 5816-5831, 2024 Jul 18.
Article in English | MEDLINE | ID: mdl-38962857

ABSTRACT

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. For the ground electronic states of these molecules, the XPS spectra computed using the extended second-order MR-ADC method (MR-ADC(2)-X) are in a very good agreement with available experimental results. We further show that MR-ADC can be used as a tool for interpreting or predicting the results of time-resolved XPS measurements by simulating the core ionization spectra of azobenzene along its photoisomerization, including the XPS signatures of excited states and the minimum energy conical intersection. This work is the first in a series of publications reporting the efficient implementations of MR-ADC methods.

3.
Phys Chem Chem Phys ; 26(22): 15927-15938, 2024 Jun 06.
Article in English | MEDLINE | ID: mdl-38805029

ABSTRACT

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)5 and its photodissociation products (Fe(CO)4, Fe(CO)3) following excitation with 266 nm light. The simulated transient Fe 3p and CO 3σ XPS spectra incorporating spin-orbit coupling and high-order electron correlation effects are shown to be in a good agreement with the experimental measurements by Leitner et al. [J. Chem. Phys., 2018, 149, 044307]. Our calculations suggest that core-hole screening, spin-orbit coupling, and ligand-field splitting effects are similarly important in reproducing the experimentally observed chemical shifts in transient Fe 3p XPS spectra of iron carbonyl complexes. Our results also demonstrate that the MR-ADC methods can be very useful in interpreting the transient XPS spectra of transition metal compounds.

4.
ACS Biomater Sci Eng ; 10(3): 1765-1773, 2024 03 11.
Article in English | MEDLINE | ID: mdl-38357873

ABSTRACT

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). The surfaces were thoroughly characterized in terms of wettability, crystalline structure, and chemical composition. Hemocompatibility analyses were conducted using blood diluted in sodium citrate (1:9) exposed to titanium discs for 30 min inside a CO2 incubator at 37 °C. Subsequently, various blood parameters were evaluated, including prothrombin time (PT), activated partial thromboplastin time (APTT), and platelet adhesion. Microbiological analyses were also performed using Pseudomonas aeruginosa (ATCC 27853) for 4 h at 37 °C. The treatment with CAP Jet resulted in a reduction in contact angle without causing any changes in the crystalline structure. No statistically significant differences were observed in the blood parameters. The plasma-treated samples exhibited lower PT and APTT values compared to those of the control group. The surfaces treated with CAP Jet showed increased platelet activation, platelet density, and thrombus formation when compared with the untreated samples. Moreover, the treated surfaces demonstrated lower bacterial colony formation compared with other surfaces.


Subject(s)
Plasma Gases , Titanium , Surface Properties , Titanium/pharmacology , Titanium/chemistry , Plasma Gases/pharmacology , Plasma Gases/chemistry , Wettability , Blood Platelets
5.
Microsc Microanal ; 30(1): 169-177, 2024 Mar 07.
Article in English | MEDLINE | ID: mdl-38252589

ABSTRACT

This study aimed to investigate sexual dimorphism in stillborn hawksbill sea turtles (Eretmochelys imbricata) through gonadal morphological characterizations. Macroscopic, light microscopy, and transmission electron analyses were performed for 30 gonad-mesonephros complexes. Female gonads were spindle-shaped and present a translucent whitish appearance with a grainy texture. Male gonads were approximately ovoid with a smooth opaque white surface. A primary sexual difference concerns different marrow structures, with females presenting organized cellularity featuring oocytes, lacunae, and blood vessels, while males presented a distinct organizational medulla pattern marked by testicular cords extending throughout the gonad length. Ultrastructurally, female's stroma presented interstitial cells and an abundant cytoplasm rich in electrodense droplets and large oval germline cells, with a conspicuous and noncentral nucleus. Males, on the other hand, presented testicular cord cells containing small amounts of heterochromatin and approximately triangular apical and basal cytoplasms with an evident nucleolus characteristic of support cells. Additionally, there were cells with a large spherical nucleus compared with the cell size and a relatively scarce cytoplasm, identified as gonocytes. These findings indicate that macroscopic, microscopic, and ultrastructural evaluations are effective and reliable techniques for the sexual identification of stillborn E. imbricata hatchlings.


Subject(s)
Turtles , Animals , Male , Female , Gonads , Ovary , Oocytes , Ovarian Follicle
6.
J Vet Sci ; 24(5): e49, 2023 Sep.
Article in English | MEDLINE | ID: mdl-38031643

ABSTRACT

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. METHODS: Fifteen females between the 14th-32nd day of gestation were used following euthanasia. Gestational buttons were collected, fixed, processed, stained to optical microscopy or immunohistochemistry. RESULTS: Chorioallantoic placenta (CP) ranged from conical to a half-sphere, as follows: from the 14th to 17th day, the CP displays an inverted "V" shape, predominantly formed by cytotrophoblasts; from 20 to 22 days, formed almost entirely by cytotrophoblasts; at 28 days, a half sphere, with distinct lobes and interlobular area, numerous maternal gaps delimited by syncytiotrophoblasts and trophoblast giant cells; at 32 days, globose and undergoing the maturation process. Subplacenta, located between decidua and CP, initially presents septa consisting of simple columnar epithelium and after 17 days, comprising stratified epithelium. Visceral yolk sac (VYS) is attached to two CP projections between 14 and 17 days, formed by a simple cubic epithelium and inverted. Between 20 and 22 days, the epithelium displays apical villous projections with cytoplasmic vacuoles and a vascularized mesoderm. After the 24th day, the VYS near the placenta is pleated, very vascularized and villous, with decreased villi sizes further away from the placenta. CONCLUSION: The agouti CP displays similar characteristics to other hystricomorpha, including placenta lobulation, a subplacenta and an inverted vitelline placenta.


Subject(s)
Dasyproctidae , Placentation , Pregnancy , Female , Animals , Humans , Placenta , Rodentia , Yolk Sac
7.
Zoomorphology ; : 1-16, 2023 Mar 20.
Article in English | MEDLINE | ID: mdl-37360222

ABSTRACT

The greater rhea, Rhea americana, is a wild ratite of high scientific importance and significant and zootechnical value, especially considering the current development state of Brazilian poultry production, where research aimed at increasing the productivity of these animals has become extremely relevant. Studies concerning fetal attachments and embryonic development are paramount, as they can provide essential information concerning reproductive and nutritional animal management. However, a lack of information on greater rhea fetal morphology is noted. Therefore, the aim of the present study was to establish a standard model for fetal attachments in this species. Greater rhea eggs were incubated from 0 to 36 days, and macroscopic and microscopic embryonic attachment characterizations were performed. Histologically, all embryonic annexes exhibit germ layers, namely the ectoderm (outer layer), mesoderm (middle layer) and endoderm (inner layer). The findings indicate that greater rhea development patterns are similar to other birds.

8.
Anat Rec (Hoboken) ; 306(2): 343-353, 2023 Feb.
Article in English | MEDLINE | ID: mdl-36054069

ABSTRACT

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. The heads of each specimen were fixed, dissected, and analyzed at the macroscopic and microscopic levels. The oropharyngeal cavity floor of the hawksbill sea turtle hatchlings is formed by the tongue, pharynx, floor muscles, and hyolingual skeleton, delimited in the rostral and lateral directions by a keratinized beak, called the rhamphotheca, and in the caudal region at the limit between the pharynx and the esophagus. The tongue muscles and the muscles that support the floor of the oral cavity comprise the following: m. hypoglossohyoideus, m. hypoglossoglossus, m. hyoglossus, m. genioglossus, m. constrictor laryngis, m. geniohyoideus pars lateralis, and m. intermandibularis. The oropharyngeal cavity floor mucosa is formed by keratinized stratified squamous epithelium and the lamina propria is formed by loose connective tissue. The floor mucosa is devoid of taste buds. We believe that the basic oropharyngeal cavity floor characteristics in hawksbill sea turtle hatchlings may comprise indications that these animals are plesiomorphic and that semiaquatic and terrestrial turtles may have undergone adaptations to feed out of water.


Subject(s)
Turtles , Animals , Turtles/anatomy & histology , Adaptation, Physiological , Acclimatization , Mucous Membrane , Epithelium
9.
Anat Rec (Hoboken) ; 306(1): 193-212, 2023 01.
Article in English | MEDLINE | ID: mdl-35808951

ABSTRACT

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. We identified the tubular heart stage, folding of the cardiac tube and expansion of the atrial and ventricular compartments followed by atrial septation by the septum primum, ventricle septation by partial septa, outflow tract septation and the formation of bicuspid valves with cartilage differentiation at the base. The formation of the first atrial septum with the mesenchymal cap is noted during the development of the atrial septum, joining the atrioventricular cushion on the 17th day and completely dividing the atria. Small secondary perforations appeared in the mid-cranial part, observed up to the 45th day. Partial ventricle septation into the pulmonary, venous, and arterial subcompartments takes place by trabeculae carneae thickening and grouping on the 15th day. The outflow tract forms the aorticopulmonary and interaortic septa on the 16th day and the bicuspid valves, on the 20th day. Therefore, after the first 20 days, the heart exhibits a general anatomical conformation similar to that of adult turtles.


Subject(s)
Atrial Fibrillation , Humans , Embryonic Development
10.
rev.cuid. (Bucaramanga.2010) ; 13(1): 1-14, 20221213.
Article in Portuguese | LILACS, BDENF - Nursing, COLNAL | ID: biblio-1369166

ABSTRACT

Introdução: O sedentarismo em adolescentes contribui para a ocorrência de diferentes doenças, sendo relevante investigar sobre fatores associados. Objetivo: Analisar a associação entre sedentarismo e nível socioeconômico em adolescentes de escolas públicas. Materiais e métodos: Estudo transversal, realizado com 347 adolescentes matriculados em escolas públicas do ensino médio do município de Divinópolis, Minas Gerais. A coleta de dados ocorreu no ano de 2017. O sedentarismo foi avaliado utilizando-se o International Physical Activity Questionnaire e o nível socioeconômico pelo critério da Associação Brasileira de Empresas de Pesquisa. Foi realizada estatística descritiva e analítica através de modelo de regressão logística multivariada. Resultados: Participaram da investigação 347 adolescentes. A média de idade do grupo foi de 16,4 ± 1,0 anos. Os indivíduos caracterizados como sedentários constituíram 38,9% da amostra, sendo que, destes, 66,7% eram do sexo feminino. Possuir maior nível socioeconômico diminui a probabilidade de ser sedentário (OR=0,235; p=0,021), assim como ser estudante das escolas públicas da região sudoeste aumenta essa chance(OR=2,680; p=0,04). Discussão: Os motivos pelos quais as condições socioeconômicas podem influenciar o sedentarismo são variados. A ausência de espaços públicos pode contribuir para a elevação do sedentarismo em adolescentes com menor nível socioeconômico. Conclusão: Esta investigação sinaliza a importância de investimentos públicos em políticas de estímulo à prática de atividade física para os adolescentes, em especial para os do sexo feminino e de menor nível socioeconômico.


Introduction: A sedentary lifestyle in adolescents contributes to the occurrence of different diseases, making it relevant to investigate associated factors. Objective: To analyze the association between sedentary lifestyle and socioeconomic status in adolescents from public schools. Materials and methods: Cross-sectional study, carried out with 347 adolescents enrolled in public high schools in the city of Divinópolis, Minas Gerais. Data collection took place in 2017. Sedentary lifestyle was assessed using the International Physical Activity Questionnaire and socioeconomic status using the criteria of the Brazilian Association of Research Companies. Descriptive and analytical statistics were performed using a multivariate logistic regression model. Results: 347 adolescents participated in the investigation. The mean age of the group was 16.4 ± 1.0 years. Individuals characterized as sedentary constituted 38.9% of the sample, of which 66.7% were female. Having a higher socioeconomic level decreases the probability of being sedentary (OR = 0,235; p = 0.021), just as being a student in public schools in the southwest region increases this chance (OR = 2,680; p = 0.04). Discussion: The reasons why socioeconomic conditions can influence a sedentary lifestyle are varied. The absence of public spaces can contribute to the increase in sedentary lifestyles in adolescents with lower socioeconomic status. Conclusion: This investigation highlights the importance of public investments in policies to encourage the practice of physical activity for adolescents, especially for females and lower socioeconomic status.


Introducción: El sedentarismo en los adolescentes contribuye a la ocurrencia de diferentes enfermedades, por lo que es relevante investigar los factores asociados. Objetivo: Analizar la asociación entre sedentarismo y nivel socioeconómico en adolescentes de escuelas públicas. Materiales y métodos: Estudio transversal, realizado con 347 adolescentes matriculados en escuelas secundarias públicas de la ciudad de Divinópolis, Minas Gerais. La recolección de datos tuvo lugar en 2017. El estilo de vida sedentario se evaluó mediante el Cuestionario Internacional de Actividad Física y el nivel socioeconómico según los criterios de la Asociación Brasileña de Empresas de Investigación. La estadística descriptiva y analítica se realizó mediante un modelo de regresión logística multivariante. Resultados: 347 adolescentes participaron en la investigación. La edad media del grupo fue de 16,4 ± 1,0 años. Los individuos caracterizados como sedentarios constituyeron el 38,9% de la muestra, de los cuales el 66,7% eran mujeres. Tener un nivel socioeconómico más alto disminuye la probabilidad de ser sedentario (OR = 0,235; p = 0,021), al igual que ser alumno de escuelas públicas de la región suroeste aumenta esta posibilidad (OR = 2,680; p = 0,04). Discusión: Las razones por las que las condiciones socioeconómicas pueden influir en un estilo de vida sedentario son variadas. La ausencia de espacios públicos puede contribuir al aumento de estilos de vida sedentarios en adolescentes de menor nivel socioeconómico. Conclusión: Esta investigación destaca la importancia de la inversión pública en políticas para incentivar la práctica de actividad física en adolescentes, especialmente en mujeres y estrato socioeconómico más bajo.


Subject(s)
Humans , Male , Female , Adolescent , School Health Services , Social Class , Adolescent , Sedentary Behavior
11.
Anim Reprod ; 19(3): e20210124, 2022.
Article in English | MEDLINE | ID: mdl-36313597

ABSTRACT

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). A total of 200 mg/kg of AA were administered to mice for 30 days. Subsequently, the testicles were collected, weighed, and fragmented. The obtained fragments were fixed in Karnovsky's solution (pH 7.2) and embedded in historesin for morphometric and transmission electron microscopy assessments. Leydig cells were hypertrophic in the D60 group, but was reverted by AA supplementation in the DS60 group. The DS60 group also exhibited increased intertubular volume compared to the CS60 group. The ultrastructural images identified multilamellar bodies in dystrophic animals (lipid storage) and telocyte cells (transport substances) in both control and dystrophic animals. Morphometric alterations were, therefore, noted in the intertubular compartment due to Duchenne muscular dystrophy (DMD), with AA administration capable of altering Leydig cells in this condition.

12.
Anim Reprod ; 19(3): e20220011, 2022.
Article in English | MEDLINE | ID: mdl-36156880

ABSTRACT

Sex steroid hormones are critical in gonadal differentiation in turtles. The gonads are not the only organs responsible for producing these hormones during this phase. Mesonephros play an important role in steroidogenesis. The present study aimed to investigate the presence of steroidogenic cells in mesonephros of Podocnemis expansa during gonadal differentiation and to evaluate their morphology and ultrastructure. Ten embryos of P. expansa were collected from 5 nests on day 36 of incubation, during spawning period on an artificial beach. Embryos were extracted from eggs by slicing the shell and euthanized. They were dissected under a stereoscopic microscope to collect the gonad-mesonephro complex, in which were fixed and subsequently processed for light microscopy, immunohistochemistry and transmission electron microscopy analysis. During histological analysis was observed mesonephros has typical morphological structure. Immunohistochemistry showed immunoreaction to aromatase in cells of intertubular space. Confirming these findings, it was possible to observe a type of intertubular cell in several regions of mesonephro, being more predominant in region close to blood vessels, distal and proximal tubules. In ultrastructural analysis these cells were characterized by having a clear, large, and rounded nucleus with evident nucleolus and cytoplasm rich in electron-dense droplets. This study demonstrated for the first time the presence of cells with morphological, immunohistochemical and ultrastructural characteristics similar to steroid-producing cells in P. expansa mesonephrons, suggesting that this organ may contribute to gonadal differentiation in this species.

13.
J Mol Model ; 28(9): 253, 2022 Aug 11.
Article in English | MEDLINE | ID: mdl-35951111

ABSTRACT

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. Being forbidden in the equilibrium geometry, this transition is entirely induced by vibronic coupling and constitutes an appropriate case to study the performance of different methods. From DVC, it is found that mode 1 (C=O out-of-plane bending) is the most inducing, followed by mode 6 (in-plane C-H asymmetric stretching) and finally by mode 2 (in-plane C-H asymmetric bending). We were able to correlate 17 out of 20 structures obtained from NE with these modes, showing that these two methods, although different in principle, give comparable results. The simulated spectra were obtained for all methods and compared, and each one has its own advantage. In what concerns the transition studied, NE gives the best description of the spectrum, DVC is the only one that easily gives an absolute value for OOS, and AH and VG are the computationally less expensive methods. From the latter two, VG is the less demanding on computational grounds, since it does not require the excited state Hessian.

14.
Anat Histol Embryol ; 51(4): 492-500, 2022 Jul.
Article in English | MEDLINE | ID: mdl-35637627

ABSTRACT

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. The vascular system was washed with a saline solution and then perfused with Neoprene 450 latex coloured with red or yellow pigment, followed by collateral aorta branch dissections and analyses. The contrasted digital radiography technique was applied to two animals, which were initially perfused with a barium sulphate solution (1 g/ml) and Neoprene 450 latex at a 1:3 ratio, and subsequently, the digital radiographic examination was performed. The aortic arch of the collared peccary emitted the brachiocephalic trunk and the left subclavian artery, while eight symmetric pairs of dorsal intercostal arteries originated from the thoracic aorta. The abdominal aorta, in turn, exhibited the celiac, cranial mesenteric, renal, caudal mesenteric, testicular, external iliac, internal iliac and sacral arteries as the collateral branches in all studied animals. Therefore, no relevant variations were observed regarding the arrangement of the arterial distribution of the aorta, thus suggesting a static standard model in the collared peccary.


Subject(s)
Artiodactyla , Latex , Animals , Aorta, Abdominal , Biological Evolution , Male , Neoprene
15.
Phys Chem Chem Phys ; 24(14): 8477-8487, 2022 Apr 06.
Article in English | MEDLINE | ID: mdl-35404373

ABSTRACT

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 (C4H4S) and thiazole (C3H3NS), 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 KL2,3L2,3 Auger spectra of thiophene and thiazole. The comparison of the results obtained for the conjugated molecules and for thiolane (C4H8S), the saturated analogue of thiophene, has been performed. The experimental observations are interpreted using high-level quantum-mechanical calculations and the natural bond orbital analysis.

16.
Phys Chem Chem Phys ; 24(13): 8041-8046, 2022 Mar 30.
Article in English | MEDLINE | ID: mdl-35319057

ABSTRACT

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. Sokolov, Phys. Chem. Chem. Phys., 2022, 24, 4769-4784, DOI: 10.1039/D1CP05476G.

17.
Phys Chem Chem Phys ; 24(8): 4769-4784, 2022 Feb 23.
Article in English | MEDLINE | ID: mdl-35142763

ABSTRACT

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) [J. Chem. Phys., 2018, 149, 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. We also highlight the importance of multireference effects for the description of core-hole screening that determines the relative spacing and order of peaks in the XPS spectra of strongly correlated systems.

18.
Anim Reprod ; 18(2): e20200051, 2021.
Article in English | MEDLINE | ID: mdl-34306213

ABSTRACT

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. Thus, the objective of this study was to evaluate the effect of L-glutamine supplementation on testicular morphometry in rats transplanted with Walker 256 tumor cells. Forty puberty Wistar rats were divided into four groups: control without L-glutamine (C); control supplemented with L-glutamine (CG); inoculated with Walker 256 tumor cells (WT) and inoculated with Walker 256 tumor cells and supplemented with L-glutamine (WTG). The testicles were removed, weighed, fixed in Bouin, and included in paraffin for histomorphometric analysis. Walker 256 tumor caused quantitative changes in the tubular and intertubular compartments and tunica albuginea, with reductions in the percentages of lumen and tunica albuginea, number of Sertoli cells per gram of testis; number of Leydig cells; percentage of blood vessels and connective tissue in intertubule. However, glutamine supplementation prevented part of these changes caused by the tumor, presenting mainly a protective effect on the tunica albuginea and percentage of blood and lymph vessels in the intertubule. These results indicate the potential of L-glutamine was able to recover for testicular dysfunction associated with cancer.

19.
Theriogenology ; 167: 111-119, 2021 Jun.
Article in English | MEDLINE | ID: mdl-33813051

ABSTRACT

The objective of the study was to evaluate the effects of different cryopreservation techniques including glycerol-based cryoprotectant combinations on the structure and viability of testicular tissues from adult collared peccaries. Tissue biopsies (3.0 mm³) from 5 different individuals were allocated to 10 different groups: fresh control; slow freezing (SF), conventional vitrification (CV), or solid-surface vitrification (SSV); each of them using three different combinations of cryoprotectants [dimethyl sulfoxide (DMSO) + ethylene glycol (EG); DMSO + Glycerol; and EG + Glycerol]. After thawing/warming, samples were evaluated for histomorphology, viability, proliferative capacity potential, and DNA integrity. Most effective preservation of testicular histomorphology was achieved using SF and CV with DMSO + EG. However, the use of glycerol-based cryoprotectant combinations increased the occurrence of tubular cell swelling, tubular cell loss and shrinkage from the basal membrane. Cell viability was comparable among cryopreservation methods and cryoprotectant combinations. Regarding cell proliferative capacity, the use of SF with EG + Glycerol and SSV with DMSO + Glycerol impaired the conservation of spermatogonia proliferative potential compared to other treatments. Moreover, CV with DMSO + EG was better than SF with EG + Glycerol for Sertoli cell proliferation potential. Regarding DNA integrity, less damage occurred when using SF with DMSO + EG while more fragmentations were observed when using CV with EG + Glycerol or DMSO + Glycerol as well as SSV with EG + Glycerol or DMSO + Glycerol. In sum, SF and CV appeared to be the most suitable methods for the cryopreservation of adult peccary testicular tissues. Additionally, the use of glycerol-based cryoprotectant combinations did not improve testicular tissues preservation with DMSO + EG being the most efficient option.


Subject(s)
Artiodactyla , Glycerol , Animals , Cryopreservation/veterinary , Cryoprotective Agents/pharmacology , Dimethyl Sulfoxide/pharmacology , Ethylene Glycol/pharmacology , Freezing , Vitrification
20.
J Morphol ; 280(8): 1232-1245, 2019 08.
Article in English | MEDLINE | ID: mdl-31233245

ABSTRACT

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. In the ovary, during the proestrus phase, we observed developing follicles and corpus luteum (CL) in regression; during estrus, there were Graafian follicles; during metestrus, there was a hemorrhagic corpus, whereas in diestrus, there was a mature CL. The uterus was partially double because the cervix was cranially septate but caudally, the septum disappeared, forming a single ostium that opened into the vagina. Changes occurred along the estrous cycle in the uterine and vaginal epithelia, that is, an increase in the uterine epithelium height accompanied by an increase of thickness of the vaginal epithelium during the follicular phase and a decrease of thickness of both epithelia during the luteal phase. The endometrial lining was composed of a simple cuboidal epithelium to simple columnar epithelium with basal nuclei. The vaginal mucosa consisted of epithelium that varied from nonkeratinized stratified squamous (luteal phase) to keratinized stratified squamous (follicular phase). The clitoris was external to the vagina. It presented two protruding lateral keratinized spicules and a centralized urethra, with no common parts between the urinary and genital tracts. Anatomical and histological changes were observed mainly in the cervix, vagina and spicules of the clitoris during the EC.


Subject(s)
Dasyproctidae/anatomy & histology , Dasyproctidae/physiology , Estrous Cycle/physiology , Genitalia, Female/anatomy & histology , Animals , Epithelium/ultrastructure , Female , Genitalia, Female/cytology , Genitalia, Female/ultrastructure , Pregnancy , Vaginal Smears
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