scholarly journals Prediction of morphological changes of catalyst materials under reaction conditions by combined ab initio thermodynamics and microkinetic modelling

2018 ◽  
Vol 8 (14) ◽  
pp. 3493-3503 ◽  
Author(s):  
Raffaele Cheula ◽  
Aloysius Soon ◽  
Matteo Maestri
Keyword(s):  
Ab Initio ◽  
Structural Changes ◽  
Morphological Changes ◽  
Microkinetic Modeling ◽  
Reaction Conditions

Microkinetic modeling, ab initio thermodynamics and Wulff–Kaishew construction are used to predict catalyst structural changes under reaction conditions.

Structural changes in uterine tissues after uterine artery embolization in patients with leiomyoma complicated by uterine bleeding

GYNECOLOGY ◽  
2018 ◽  
Vol 20 (1) ◽  
pp. 78-82
Author(s):  
G P Titova ◽  
M M Damirov ◽  
L S Kokov ◽  
O N Oleynikova ◽  
G E Belozerov
Keyword(s):  
Uterine Artery Embolization ◽  
Uterine Artery ◽  
Structural Changes ◽  
Morphological Changes ◽  
Uterine Bleeding ◽  
Small Scale ◽  
Artery Embolization ◽  
Vessel Occlusion ◽  
Uterine Arteries ◽  
Uterine Tumors

Uterine leiomyoma (UL) is often complicated by the development of uterine bleeding. In urgent gynecology for the implementation of endovascular hemostasis, uterine artery embolization (UAE) is used. Performing UAE allows to stop and/or significantly reduce the intensity of bleeding and prepare a patient for surgical intervention. At the same time, the morphological changes that occur in uterine tissues in operated UL patients after performing the UAE are not studied. The aim was to study the peculiarities of pathomorphological changes in uterine tumors and tissues in operated UL patients complicated by uterine bleeding after performing UAE. Material and methods. The results of morphological changes appearing in tumors and tissues of the uterus in 39 operated UL patients, who were used for stopping uterine bleeding, were analyzed. Results. After applying different types of embolizing agents in macroscopic study of the uterus, signs of ischemia of its tissues were revealed, and the most pronounced disorders were detected in the UL nodes. Morphologically it was established that UAE microemboli resulted in vessel occlusion with increasing thrombosis in their distal sections. UAE was not accompanied by occlusal occlusion of the arteries and resulted in small-scale necrosis of the tumor with complete regeneration of the endometrium. Conclusions. The results of the morphological study showed that after the UAE was performed, the myomatous nodes underwent dystrophic, necrobiotic and necrotic changes. Depending on the nature of occlusion of the uterine arteries, various variants of necrosis (scale and completeness of the process) developed in the tumor tissue, which was aseptic in nature.

Thermal characterization of ABS-Graphene blended three dimensional printed functional prototypes for electro chemical energy storage

2018 ◽  
Vol 1 (1) ◽  
pp. 1-11 ◽  
Author(s):  
Kamaljit Singh Boparai ◽  
Rupinder Singh
Keyword(s):  
Energy Storage ◽  
Structural Changes ◽  
Fused Deposition Modeling ◽  
Morphological Changes ◽  
Three Dimensional ◽  
Thermal Characterization ◽  
Chemical Energy ◽  
Flow Index ◽  
Fused Deposition

This study highlights the thermal characterization of ABS-Graphene blended three dimensional (3D) printed functional prototypes by fused deposition modeling (FDM) process. These functional prototypes have some applications as electro-chemical energy storage devices (EESD). Initially, the suitability of ABS-Graphene composite material for FDM applications has been examined by melt flow index (MFI) test. After establishing MFI, the feedstock filament for FDM has been prepared by an extrusion process. The fabricated filament has been used for printing 3D functional prototypes for printing of in-house EESD. The differential scanning calorimeter (DSC) analysis was conducted to understand the effect on glass transition temperature with the inclusion of Graphene (Gr) particles. It has been observed that the reinforced Gr particles act as a thermal reservoir (sink) and enhances its thermal/electrical conductivity. Also, FT-IR spectra realized the structural changes with the inclusion of Gr in ABS matrix. The results are supported by scanning electron microscopy (SEM) based micrographs for understanding the morphological changes.

Staphylococcal infection and pathomurfological characteristic of the pituitary-adrenal-thyroid system

2020 ◽  
Vol 03 (04) ◽  
pp. 69-73
Author(s):  
Samira Mammadhasan Yagubova ◽  
◽  
Elchin Chingiz Akbarov ◽  
Tarana Nadir Mirzayeva ◽  
◽  
...  
Keyword(s):  
Structural Changes ◽  
Adrenal Glands ◽  
Early Stage ◽  
Morphological Changes ◽  
Endocrine System ◽  
Staphylococcal Infection ◽  
The Body ◽  
Glandular Cells ◽  
Exogenous Factors ◽  
Specific Symptoms

During the staphylococcal infection, changes in the interaction of glandular cells, dystrophic and disorganizing pathologies in tissues, especially acute structural and hemodynamic changes in the stroma of the glands in the pituitary-adrenal-thyroid system, develop from the first day of the experiment. At the end of the experiment, on the background of a decrease in exudative processes, fibroplastic reactions are significantly activated, resulting in signs of incomplete regeneration – mainly sclerotic processes and cystic-atrophic changes in the parenchyma. Structural changes in tissues in the early stages of staphylococcal infection and the dynamics of development are characterized by specific symptoms in each of the glands. Since the pituitary gland is exposed to endogenous and exogenous factors earlier and more often than the adrenal glands, and the adrenal glands are earlier than the thyroid gland, dystrophic and destructive changes in the pituitary and adrenal glands are more pronounced at the early stage of the experiment. These morphological changes can change the hormonal status of the body and lead to dysfunction of the endocrine system as a whole – a decrease in the functional activity of the glands to some extent, and even inhibition of adenohypophyseal cells. Key words: staphylococcal infection, peritonitis, pituitary, adrenal and thyroid glands

Local structural changes in polyamorphous (Ni,Fe)Ox electrocatalysts suggest a dual-site oxygen evolution reaction mechanism

2021 ◽  
Author(s):  
Martin Schon ◽  
Oliver Calderon ◽  
Nick Randell ◽  
Santiago Jimenez Villegas ◽  
Katelynn M. Daly ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Structural Changes ◽  
Mixed Metal Oxides ◽  
Reaction Conditions ◽  
Nickel Iron ◽  
Alkaline Reaction ◽  
Dual Site ◽  
Economical Alternative

Amorphous nickel-iron mixed metal oxides have been shown to be extremely efficient oxygen evolution reaction (OER) electrocatalysts with good stability in alkaline reaction conditions. Thus, they offer an economical alternative...

Ab initio calculations of scytonemin derivatives of relevance to extremophile characterization by Raman spectroscopy

2010 ◽  
Vol 368 (1922) ◽  
pp. 3193-3203 ◽  
Author(s):  
Tereza Varnali ◽  
Howell G. M. Edwards
Keyword(s):  
Ab Initio ◽  
Structural Changes ◽  
Spectral Characteristics ◽  
Special Role ◽  
Absorption Bands ◽  
Parent Molecule ◽  
Detailed Structural Analysis ◽  
Protective Strategy ◽  
Terrestrial Environments ◽  
Martian Regolith

The recognition that scytonemin, the radiation protectant pigment produced by extremophilic cyanobacterial colonies in stressed terrestrial environments, is a key biomarker for extinct or extant life preserved in geological scenarios is critically important for the detection of life signatures by remote analytical instrumentation on planetary surfaces and subsurfaces. The ExoMars mission to seek life signatures on Mars is just one experiment that will rely upon the detection of molecules such as scytonemin in the Martian regolith. Following a detailed structural analysis of the parent scytonemin, we report here for the first time a similar analysis of several of its methoxy derivatives that have recently been extracted from stressed cyanobacteria. Ab initio calculations have been carried out to determine the most stable molecular configurations, and the implications of the structural changes imposed by the methoxy group additions on the spectral characteristics of the parent molecule are discussed. The calculated electronic absorption bands of the derivative molecules reveal that their capability of removing UVA wavelengths is removed while preserving the ability to absorb the shorter wavelength UVB and UVC radiation, in contrast to scytonemin itself. This is indicative of a special role for these molecules in the protective strategy of the cyanobacterial extremophiles.

The effect of dopamine depletion on light-evoked and circadian retinomotor movements in the teleost retina

1992 ◽  
Vol 9 (3-4) ◽  
pp. 335-343 ◽  
Author(s):  
R. H. Douglas ◽  
H.-J. Wagner ◽  
M. Zaunreiter ◽  
U. D. Behrens ◽  
M. B. A. Djamgoz
Keyword(s):  
Structural Changes ◽  
Light Adaptation ◽  
Control Mechanism ◽  
Morphological Changes ◽  
Causal Mechanism ◽  
Dopamine Depletion ◽  
Retinal Cells ◽  
Lower Vertebrates ◽  
Teleost Retina ◽  
6 Hydroxydopamine

AbstractThe retinae of lower vertebrates undergo a number of structural changes during light adaptation, including the photomechanical contraction of cone myoids and the dispersion of melanin granules within the epithelial pigment. Since the application of dopamine to dark-adapted retinae is known to produce morphological changes that are characteristic of light adaptation, dopamine is accepted as a causal mechanism for such retinomotor movements. However, we report here that in the teleost fish, Aequidens pulcher, the intraocular injection of 6-hydroxydopamine (6-OHDA), a substance known to destroy dopaminergic retinal cells, has no effect on the triggering of light-adaptive retinomotor movements of the cones and epithelial pigment and only slightly depresses the final level of light adaptation reached. Furthermore, the retina continues to show circadian retinomotor changes even after 48 h in continual darkness that are similar in both control and 6-OHDA injected fish. Biochemical assay and microscopic examination showed that 6-OHDA had destroyed dopaminergic retinal cells. We conclude, therefore, that although a dopaminergic mechanism is probably involved in the control of light-induced retinomotor movements, it cannot be the only control mechanism, nor can it be the cause of circadian retinomotor migrations. Interestingly, 6-OHDA injected eyes never reached full retinomotor dark adaptation, suggesting that dopamine has a role to play in the retina's response to darkness.

scholarly journals A self-adjusting platinum surface for acetone hydrogenation

2020 ◽  
Vol 117 (7) ◽  
pp. 3446-3450 ◽  
Author(s):  
Benginur Demir ◽  
Thomas Kropp ◽  
Keishla R. Rivera-Dones ◽  
Elise B. Gilcher ◽  
George W. Huber ◽  
...  
Keyword(s):  
Reaction Kinetics ◽  
Density Functional ◽  
Surface Coverage ◽  
Binding Energies ◽  
Microkinetic Modeling ◽  
Reaction Conditions ◽  
Platinum Surface ◽  
Kinetics Parameters ◽  
Supported Platinum Catalysts ◽  
Wide Range

We show that platinum displays a self-adjusting surface that is active for the hydrogenation of acetone over a wide range of reaction conditions. Reaction kinetics measurements under steady-state and transient conditions at temperatures near 350 K, electronic structure calculations employing density-functional theory, and microkinetic modeling were employed to study this behavior over supported platinum catalysts. The importance of surface coverage effects was highlighted by evaluating the transient response of isopropanol formation following either removal of the reactant ketone from the feed, or its substitution with a similarly structured species. The extent to which adsorbed intermediates that lead to the formation of isopropanol were removed from the catalytic surface was observed to be higher following ketone substitution in comparison to its removal, indicating that surface species leading to isopropanol become more strongly adsorbed on the surface as the coverage decreases during the desorption experiment. This phenomenon occurs as a result of adsorbate–adsorbate repulsive interactions on the catalyst surface which adjust with respect to the reaction conditions. Reaction kinetics parameters obtained experimentally were in agreement with those predicted by microkinetic modeling when the binding energies, activation energies, and entropies of adsorbed species and transition states were expressed as a function of surface coverage of the most abundant surface intermediate (MASI, C3H6OH*). It is important that these effects of surface coverage be incorporated dynamically in the microkinetic model (e.g., using the Bragg–Williams approximation) to describe the experimental data over a wide range of acetone partial pressures.

High levels of androgens cause chondrocyte accumulation and loss of smooth muscle in the mouse penile body†

2020 ◽  
Vol 102 (6) ◽  
pp. 1225-1233
Author(s):  
Deepak S Hiremath ◽  
Elizabeth C Geerling ◽  
Lan Hai ◽  
Prema Narayan
Keyword(s):  
Smooth Muscle ◽  
Structural Changes ◽  
Morphological Changes ◽  
Serum Testosterone ◽  
Fold Increase ◽  
Luteinizing Hormone Receptor ◽  
Corpora Cavernosa ◽  
Structural Abnormalities ◽  
Very High ◽  
Androgen Levels

Abstract Androgens are essential for penile development and for maintaining penile structural and functional integrity. Loss of androgen levels or function results in a decrease in smooth muscle content, accumulation of adipocytes in the corpora cavernosa, and inhibition of erectile function. Our previous studies with a mouse model (KiLHRD582G) of constitutive luteinizing hormone receptor activity also showed structural abnormalities in the penis caused by a decrease in smooth muscle content, accumulation of chondrocytes, and sexual dysfunction. As KiLHRD582G mice exhibit very high levels of testosterone at all postnatal ages, the goal of this study was to determine if the elevated androgen levels were responsible for the morphological changes in the penis. Implantation of testosterone capsules in wild-type mice at neonatal (2 weeks) and postpubertal (5 weeks) ages resulted in the accumulation of chondrocytes in the corpora cavernosa of the adult animals. Mice implanted with testosterone capsules at 2 weeks of age exhibited a 4-fold increase in serum testosterone with a 1.5-fold loss of smooth muscle at 24 weeks of age. Collagen content was unchanged. Only 57% of testosterone implanted mice were fertile at 24 weeks of age. Mice implanted with testosterone capsules at 5 weeks of age showed no decrease in smooth muscle content at 24 weeks, although serum testosterone levels were elevated 5-fold. Implantation with dihydrotestosterone also resulted in chondrocyte accumulation and a 2-fold loss in smooth muscle content. Together, these studies demonstrate that supraphysiological levels of androgens cause structural changes in the penile corpora cavernosa and impair fertility.

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