Quantitative Structural Characteristics Research Articles

Comparative Analysis of Reverse Degree and Entropy Topological Indices for Drug Molecules in Blood Cancer Treatment through QSPR Regression Models

The topological indices provide quantitative structural characteristics of drug molecules that can be utilized to predict or establish correlations with the biological activity, physicochemical properties, and toxicity of the molecules. Such studies play a crucial role in the initial stages of drug development by aiding in the identification and optimization of potential drug candidates and providing cost-effective techniques for experimental studies. Cancer, a multifaceted disease, can originate in any part of the body due to various factors, including genetic mutations, environmental toxins, and lifestyle choices. Blood cancer, encompassing malignancies affecting the blood, bone marrow, and lymphatic systems, is the focus of this research paper. The current study investigates a comprehensive set of drugs employed in blood cancer treatment, including clofarabine, mercaptopurine, olutasidenib, glasdegib, gliteritinib, zanubrutinib, chlorambucil, ibrutinib, bosutinib, hydroxyurea, cyclophosphamide, doxorubicin, daunorubicin, ivosidenib, prednisone, busulfan, omacetaxine mepesuccinate, and asciminib. By conducting a thorough analysis of these drugs, we acquire valuable insights into their molecular properties, which are crucial for predicting their behavior and efficacy in blood cancer treatment. We have devised QSPR models by leveraging the reverse degree and entropy topological indices. Our proposed QSPR models are compared with existing degree-based models, emphasizing the superior effectiveness of our approach.

International Development Aid under Joe Biden: Major Changes

The article examines the quantitative changes and structural characteristics of US international assistance during the presidency of Joe Biden. Particular attention is paid to the distribution of assistance among recipient countries. It was concluded that, in general, the distribution of assistance complies with the guidelines formulated in the National Security Strategy.

Morphological and structural characteristics of Gallium Nitride (GaN) porosity using image processing

Attaining a generalized porosity measurement based on the conventional measuring methods is unfeasible due to thin and complex layers on Gallium Nitride (GaN) film. Therefore, there is an impetus for developing a method of estimating general fabric porosity via image processing techniques. This study is aimed to investigate and validate a new technique for extracting the GaN porosity in terms of morphological and structural characteristics using an image processing technique. The anodization on porous GaN films is prepared by using direct current photo-assisted electrochemical etching (DC-PECE) etching technique. The quantitative structural characteristics based on mathematical morphology is analyzed using Field Emission Scanning Electron Microscopy (FESEM) and Atomic Force Microscopy (AFM). To validate the method, the evaluation of porous GaN quality is performed through a non-destructive investigation of its nanostructures using adapting image analysis techniques. Porosity of the structures obtained by calculating the areas occupied by the pores. The quantitative results were obtained and showing good agreement between two modes of measurement and calculation (percentage porosity and pore depth) based on the image-processing data with 91 % and 78 % correlation coefficient.

Cardioprotection by spermidine does not depend on structural characteristics of the myocardial microcirculation in aged mice.

Ageing is associated with cardiovascular disease and reduced cardiac function. This cardiac functional decline is accompanied by cardiac remodeling and alterations in cardiomyocyte composition. Recently, it was shown that the natural polyamine spermidine preserves cardiac function and cardiomyocyte composition in old mice. As cardiac function critically relies on blood supply, we tested whether spermidine has also beneficial effects on ageing-associated changes of the myocardial microcirculation. Using transmission electron microscopy, the left ventricular capillaries of young (4-months old) and aged (24-months old) C57BL/6J male mice were investigated by stereology. Aged mice were subdivided into an untreated group and a group that was fed spermidine late in life for 6 months. Specifically, total volume, surface area and length of capillaries as well as endothelial thickness were estimated. Additionally, the total length of precapillary arterioles was assessed. The protein level of VEGF-A was measured using Western blot. Ageing was associated with whole heart and left ventricular hypertrophy. All total capillary-related values (including volume, surface area and length) were significantly higher in 24-month-old mice compared with 4-month-old mice. Moreover, VEGF-A expression was significantly enhanced in aged mice. The mean thickness of the endothelium was not different, but the mean area of myocardium supplied by capillaries was smaller in old mice. Spermidine treatment had no significant effect on the ageing-associated structural changes or VEGF-A expression. In conclusion, in the left ventricles of aged mice the growth of capillaries and arterioles supplying cardiomyocytes were in proportion to whole organ hypertrophy. Spermidine had no effect on quantitative characteristics of capillaries or arterioles, suggesting that the beneficial effects of spermidine on the ageing heart do not depend on the quantitative structural characteristics of the microcirculation which does not exclude potential functional differences between the groups.

Spatial Structure of Plasma Coagulation Factor XIII and Changes with Activation

IntroductionBlood coagulation factor XIII (FXIII) is a precursor of the active transglutaminase (FXIIIa) that catalyzes covalent cross-linking within polymeric fibrin to increase mechanical and proteolytic stability of blood clots and thrombi. Structurally, inactive plasma FXIII (pFXIII) with a molecular mass of 326 kDa is a heterotetramer (A2B2) with two catalytic A subunits (FXIII-A, 83 kDa) and two non-catalytic B subunits (FXIII-B, 80 kDa).The inactive pFXIII is converted into a catalytically active form by thrombin and Ca2+. Thrombin cleaves off an activation peptide (AP) from the N-terminus of each A subunit, and subsequently B subunits dissociate from thrombin-cleaved A subunits in presence of Ca2+. However, the oligomerization state of activated A and B subunits remain controversial.Both activated and inactive FXIII A subunits have been characterized crystallographically, while the atomic structure of the FXIII-A2B2 complex remains unknown. Therefore, our goal was to visualize and characterize the molecular structure of FXIII and its activated form FXIIIa using high-resolution atomic force microscopy (AFM).MethodsCommercially available pFXIII (Enzyme Research Laboratories, USA), non-activated or activated with thrombin and Ca2+, was adsorbed on the surface of graphite rendered hydrophilic with an amphiphilic hydrocarbon-glycine modifier followed by single-molecule AFM imaging, methodology developed by us to allow high-resolution imaging. Additionally, recombinant rFXIII-A2 (Zymogenetics, USA) and recombinant rFXIII-B2 (Zedira, Germany) were imaged to compare the structures and dimensions of FXIII and FXIIIa with individual dimeric subunits.ResultsIndividual molecules of pFXIII were visualized in AFM as globules with two (67% of the molecules), one (14%), or no (19%) thread-like extensions (Fig. 1A). The size (height) of the globular portions had a symmetrical distribution with a maximum at 3.5 nm. The strands had a peak contour length of 20 nm and a height of 0.4 nm. Based on the known polypeptide composition of pFXIII-A2B2, the observed molecular images could be interpreted as an A2 globule with one or two individual B subunits extending out from it. The structural diversity of FXIII forms may reflect an equilibrium between association and dissociation of B subunits from the A2 dimer. Alternatively, the B subunits can be partially or fully wrapped around the globular A2 dimer, making them invisible in AFM images.Although a crystallographic structure of FXIII-A2 is available, its AFM imaging was important to identify the A2 dimer within inactive and activated pFXIII molecules: rFXIII-A2 was a globule with the same height as the pFXIII globular core (Fig. 1B).Recombinant dimeric B subunits (rFXIII-B2) appear as thin flexible strands with an average contour length of 33 nm and a height of 0.6 nm (Fig. 1C). Thus, both the length and height of the free B2 dimers were significantly larger compared to the strands sticking out from the globular core of pFXIII-A2B2 molecules, we conclude that these strands in pFXIII-A2B2 comprise monomeric B subunits.In thrombin-activated pFXIIIa, the B-subunits dissociated from the A2 dimer and self-associated to form B2 dimers (Fig. 1D). The height distribution of globular particles remaining separated was bimodal with two peaks: one at 3.3 nm corresponded to the whole tetrameric pFXIII-A2B2 and, potentially, dimeric FXIII-A2, while the second major peak at 2.1 nm likely represented FXIII-A monomers.ConclusionsOur results provide qualitative and quantitative molecular structural characteristics of inactive and activated human pFXIII as well as dimeric A and B subunits. We have shown that inactive plasma FXIII (pFXIII-A2B2) consists of a globular A2 dimer core and individual B subunits extending out as flexible strands. Recombinant inactive FXIII-A subunits in the absence of FXIII-B subunits form a globular homodimer. Recombinant FXIII-B subunits in the absence of FXIII-A subunits form flexible homodimeric strands. Upon activation of pFXIII-A2B2 with thrombin and Ca2+, the initially monomeric B subunits dissociate from the globular core of the molecule and form B2 homodimers, while the initially dimeric activated A subunits dissociate into monomers.Fig. 1. AFM images of A: pFXIII-A2B2, B: rFXIII-A2, C: rFXIII-B2, D: thrombin-activated pFXIIIa. [Display omitted] DisclosuresNo relevant conflicts of interest to declare.

Influence of some quantitative structural characteristics of introduced soybean (Glycine max (L.) Merr.) accessions on seed productivity in irrigated conditions in the South of Ukraine

Goal. To establish correlations between the seed weight and quantitative characteristics of performance for new introduced soybean accessions.Results and discussion. The results of evaluating the following introduced accessions for a set of economically valuable traits are presented in the article: Saska, 01006; Sigalia, 01020 (AUT) Connor, 00549; Sandra, 00679; Madison, 01011; OAC Drayton, 01014; OAC Wallace, 01018; Kyoto, 01012; Silesiya 01010 (CAN) Cordoba, 01020; Lissabon, 01007 (AUS) Sultana, 01008; Sinara, 01005 (FRA). Among all the accessions under investigation, variety Silesiya 01010 (CAN) was distinguished by ultra-early ripening. The duration of its vegetation period was 98 days. The results of studying the introduced accessions allowed us to single out a source, variety Sultana, 01008 (FRA), by exceptionally high performance, as its seed weight per plant was 39.4 g or the seed number per plant was 230.0. There were correlations between the main trait of the plant performance, the seed weight per plant, and the traits of "productive node number per branch", "productive node number per plant", "pod number per branch," "pod number per plant", and "seed number per plant" in soybean varieties (Kyoto, 01012 (CAN) Sinara, 01005, Sultana, 01008 (FRA) and Cordoba, 01020 (AUS), which had the best yields. It was established that genotypes could be selected by these traits to form a variety model.Conclusions. Basing on the correlations, we found that the plant height, the lowest pod height, the productive node number per branch, the additional branch number per plant, the pod number per plant, and the seed number per plant had the most significant direct effects on the variability of the main performance trait - the seed weight per plant.

竹山县官渡镇楠木类植物种群特征研究

在竹山县官渡镇百里河村有较为集中的楠木类植物分布，在该地设置样地，采用植物种群野外调查方法研究楠木种群的数量特征、结构特征。结果表明：调查区域内天然宜昌润楠和白楠种群内个体为群集分布，且分布密度大；其中宜昌润楠处于三级立木的植株最多，占总量的42%，幼苗也较多，占总量33%，呈增长型；白楠虽缺失幼苗，但是处于三级立木的植株丰富，占总量的83%，呈稳定型。 Sample plots were set in Baili River village of Guandu town Zhushan county to research quantitative characteristics and structural characteristics of natural population of Phoebe zhennan S. Lee by using field survey methods. The results showed that the individual distributions of natural population of Machilus ichangensis Rehd. et Wils. and Phoebe neurantha (Hemsl.) Gamble were contagious one in survey area with a considerable density. The number of Machilus ichangensis Rehd. et Wils. in the third lever (42%) was larger than that of others. And the number of juvenile phase (33%) was also larger. So the natural population of Machilus ichangensis Rehd. et Wils. was growth. Although there was lack of the juvenile phase of Phoebe neurantha (Hemsl.) Gamble, but the third lever (83%) was very lager, and it was a stable form.

Normal anatomy and anatomic variants of vascular foramens in the cervical vertebrae: a paleo-osteological study and review of the literature.

We investigated 923 cervical vertebrae belonging to late-antiquity and medieval skeletal remains and assessed the qualitative and quantitative structural characteristics of transverse foramens (TF) and additional vascular canals. We also reviewed the pertinent literature. Double TF were chiefly observed in C6 (with a right/left side prevalence of 35.7 and 44.4%, respectively) and C5 vertebrae (23.6 and 23.9%, right/left side, respectively), while unclosed TF were mainly documented in C1 vertebrae (8.4%). Retrotransverse canal and retrotransverse groove were present in 8.5 and 17.8%, respectively, of C1 vertebrae examined, while arcuate foramens and supertransverse foramens were found in 7.3 and 3.7% of specimens, respectively. TF diameter decreased from C6 to C2 vertebrae, being smallest in C7 and greatest in C1 vertebrae, with no left/right significant difference. There was a significant correlation between TF diameter and stature, but only on the right side. The mean area of the arcuate foramen was lower than the mean area of the ipsilateral TF (24.5 ± 5.7 vs 28.5 ± 7.7 mm(2), respectively; p = 0.048), possibly causing compression of the vertebral artery within the arcuate foramen. The study of human vertebrae excavated from archaeological sites is a simple and effective way to analyze the morphology and quantitative anatomy of vascular foramens.

Quantitative Structural Characteristics of the Amygdaloid Body and Primary Somatosensory Cortex in Rats with Different Alcohol Preferences

The aim of the present work was to identify the structural and planimetric characteristics of the nuclei and intermediate formations of the corticomedial and basolateral groups of the amygdaloid body (AB) and primary somatosensory cortex of rats preferring (PA, n = 10) and not preferring (NA, n = 10) alcohol, and also to identify differences in the contents of dopamine and its metabolite 3,4-dihydroxyphenylacetic acid (DOPAC) in the AB. Measurements of the absolute and specific areas of the structures of interest were performed using cytoarchitectonic preparations stained with cresyl violet by the Nissl method. No differences were found between groups in terms of the specific areas of the corticomedial and basolateral groups of AB structures. NA rats showed greater values for the specific area of the primary somatosensory cortex and the specific area of the AB in the left hemisphere, due to larger basolateral groups. Analysis of catecholamine contents in the AB showed that while DOPAC contents were essentially similar, the dopamine level was significantly greater in PA rats. The DOPAC/dopamine ratio was twice as high in PA rats, pointing to faster metabolism of dopamine in these animals.

Folding of the anterior cingulate cortex partially explains inhibitory control during childhood: A longitudinal study

Difficulties in cognitive control including inhibitory control (IC) are related to the pathophysiology of several psychiatric conditions. In healthy subjects, IC efficiency in childhood is a strong predictor of academic and professional successes later in life. The dorsal anterior cingulate cortex (ACC) is one of the core structures responsible for IC. Although quantitative structural characteristics of the ACC contribute to IC efficiency, the qualitative structural brain characteristics contributing to IC development are less-understood. Using anatomical magnetic resonance imaging, we investigated whether the ACC sulcal pattern at age 5, a stable qualitative characteristic of the brain determined in utero, explains IC at age 9. 18 children performed Stroop tasks at age 5 and age 9. Children with asymmetrical ACC sulcal patterns (n = 7) had better IC efficiency at age 5 and age 9 than children with symmetrical ACC sulcal patterns (n = 11). The ACC sulcal patterns appear to affect specifically IC efficiency given that the ACC sulcal patterns had no effect on verbal working memory. Our study provides the first evidence that the ACC sulcal pattern – a qualitative structural characteristic of the brain not affected by maturation and learning after birth – partially explains IC efficiency during childhood.

In situ synthesis, fabrication and Rietveld refinement of the hydroxyapatite/titania composite coatings on 316 L SS

The development of Hydroxyapatite (HAP)/Titania (TiO2) composite coatings on metallic implants have received a great deal of attention during the recent years owing to their superior advantages in biomedical applications. The present study has focused on the in situ formation of HAP/TiO2 composite powders through aqueous precipitation technique. Five different HAP/TiO2 composite powders of varied HAP to TiO2 ratios has been synthesized in the present study and the results were compared with the stoichiometric HAP, Rutile TiO2 and Anatase TiO2 which also have been synthesized by adapting a similar synthetic procedure. All the synthesized powders have been analyzed using X-ray diffraction (XRD) and X-ray fluorescence (XRF) techniques. Rietveld Refinement technique has been employed to generate quantitative information about the structural characteristics and phase content in all the powder samples. Further, the electrophoretic deposition (EPD) method has been employed to fabricate HAP/TiO2 composite coatings on 316L SS and the resultant coatings were analyzed for its quantitative structural characteristics. The results from the present investigation has confirmed that concentration of TiO2 in the HAP/TiO2 composites and heat treatment temperatures have played a major role in the degradation of HAP to β-Tricalcium phosphate and also in the conversion of Anatase to Rutile TiO2 phase.

Applications of the image processing method on the structure measurements in porous GaN

Porous GaN films on sapphire (0001) prepared by ultraviolet-assisted electrochemical etching and their quantitative structural characteristics based on mathematical morphology analysis using scanning electron microscope (SEM) images are reported in this study. The evaluation of porous GaN quality can be performed through a non-destructive investigation of its nanostructures using adapting image analysis techniques to obtain rapid, objective and quantitative information. The algorithm used for this work was implemented using the MATLAB software. The distributions of the maximum, minimum and average radii of the pores were obtained. Moreover, the porosity of the structures was obtained by calculating the areas occupied by the pores. SEM micrographs indicated that the shapes of pores for all porous samples were nearly hexagonal. The quantitative results were obtained and related with the characteristics of the fabrication process, showing reliability and promise in the control of pores over the formation process.

保康县南方红豆杉种群特征研究

在保康县南方红豆杉分布比较集中的4个村(仁和村、朱砂村、龙坪村、温坪村)设置样地，采用植物种群野外调查方法研究天然南方红豆杉种群的数量特征、结构特征、性别比例结构。结果表明：调查区内天然南方红豆杉种群内个体为集群分布，且分布密度大；处于幼年的植株最多，占总量的66%；胸径 > 12 cm的立木比较少；当个体高度超过100 cm，种群的大小径级呈正金字塔型；雌雄性比接近1:1，有利于整个种群的稳定发展。 Sample plots were set in four villages (Renhe village, Cinnabar village, Longping village, Wenping village) of Baokang county to research quantitative characteristics and structural characteristics as well as sex ratio structures of natural population of Taxus chinensis var. mairei by using field survey methods. The results showed that the individual distribution of natural population of Taxus chinensis var. mairei was a contagious one in the survey area with a considerable density. The number of plants in the juvenile phase (66%) was larger than that of others. There were few stumpages (DBH > 12 cm). When an individual’s height exceeded 100 cm, the size class of population was like an upward pyramid. It’s favorable for the stable development of the entire population with the ratio of female to male being close to 1:1.

Amorphous structure of iron oxide of bacterial origin

In nature, there are various iron oxides produced by the water-habitant bacterial group called “iron-oxidizing bacteria”. These iron oxides have been studied mainly from biological and geochemical perspectives. Today, attempts are made to use such iron oxides as novel functional materials in several applications. However, their quantitative structural characteristics are still unclear. We studied the structure of iron oxide of microtubular form consisting of amorphous nanoparticles formed by an iron-oxidizing bacterium, Leptothrix ochracea, using a combination of high-energy X-ray diffraction and reverse Monte Carlo simulation. We found that its structure consists of a framework of corner- and edge-sharing distorted FeO6 octahedral units, while SiO4 tetrahedral units are isolated in the framework. The results reveal the atomic arrangement of iron oxide of bacterial origin, which is essential for investigating its potential as a functional material.

Correlation-based multi-shape granulometry with application in porous silicon nanomaterial characterization

Image-based granulometry measures the size distribution of objects in an image of granular material. Usually, algorithms based on mathematical morphology or edge detection are used for this task. We propose an entirely new approach, using cross correlations with kernels of different shapes and sizes. We use pyramidal structure to accelerate the multi-scale searching. The local maxima of cross correlations are the primary candidates for the centers of the objects. These candidate objects are filtered using criteria based on their correlations and intersection areas with other objects. Our technique spatially localizes each object with its shape, size and rotation angle. This allows us to measure many different statistics (besides the traditional objects size distribution) e.g. the shape and spatial distribution of the objects. Experiments show that the new algorithm is greatly robust to noise and can detect even very faint and noisy objects. We use the new algorithm to extract quantitative structural characteristics of Scanning Electron Microscopy (SEM) images of porous silicon layer. The new algorithm computes the size, shape and spatial distribution of the pores. We relate these quantitative results to the fabrication process and discuss the rectangle porous silicon formation mechanism. The new algorithm is a reliable tool for the SEM image processing.

Quantifying the Microstructures of Pure Cu Subjected to Dynamic Plastic Deformation at Cryogenic Temperature

A pure Cu (99.995 wt%) has been subjected to dynamic plastic deformation at cryogenic temperature to a strain of 2.1. Three types of microstructures that are related to dislocation slip, twinning and shear banding have been quantitatively characterized by transmission electron microscopy (TEM) assisted by convergent beam electron diffraction (CBED) analysis. Microstructures originated from dislocation slip inside or outside the shear bands are characterized by low angle boundaries ( ) up to the maximum angle of 9 degrees. The quantitative structural characteristics are compared with those in conventionally deformed Cu at low strain rates, and allowed a quantitative analysis of the flow stress-structural parameter relationship.

Dislocation Substructure Gradient Formation in Aluminum by Creep under Weak Potential

Transmission diffraction electron microscopy of thin foils was used to study the dislocation substructure gradient of aluminum destroyed during creep. Creep under +1 V potential resulted in the formation of a dislocation substructure gradient, which was observed as a regular change in quantitative structural characteristics upon moving away from the sample fracture surface.

A New Correlation-Based Granulometry Algorithm with Application in Characterizing Porous Silicon Nanomaterials

Granulometry measures the size distribution of objects in an image of granular material. Usually, algorithms based on mathematical morphology or edge detection are used for this task. We propose a entirely new approach using the cross correlations with circles of different sizes. This technique is primarily adequate for detecting nearly circular objects, but it can be extended to other shapes. Experiments show that the new algorithm is greatly robust to noise and can detect even faint objects. This paper also reports the quantitative structural characteristics of the porous silicon layer based on the proposed algorithm applied to Scanning Electron Microscopy (SEM) images. The new algorithm computes the size distribution of pores and classifies the pores in circular or square ones. We relate these quantitative results to the fabrication process and discuss the square porous silicon formation mechanism. The new algorithm is reliable in SEM images processing.

Structure and characteristics of organic-inorganic hybrid hydrogels based on poly(N-vinylcaprolactam)-SiO2

In the reaction system of poly(N-vinylcaprolactam)-water-tetramethoxysilane, the effect of concentrations and ratios between compounds on the structure and characteristics of the formed organicinorganic hybrid hydrogels based on poly(N-vinylcaprolactam) and silica particles is studied. When the over-all concentration of precursors is increased, the number of bonds between hydrogel components increases, and an increase in the number of network crosslinks is provided by an increased fraction of tetramethoxysilane. The method of small-angle X-ray analysis is used to estimate quantitative structural characteristics of silica particles in hydrogels. Silica particles are found to form a fractal three-dimensional structure, which is composed of individual compact clusters with lateral dimensions of 40–60 A. The average linear dimensions of scattering anisometric particles are 100 × 120 × 360 three-dimensional structure is proposed for hydrogel formed via the interaction of poly(N-vinylcaprolactam) macromolecules and silica nano-particles. The average distance between silica particles is estimated.

Anodic porous alumina structural characteristics study based on SEM image processing and analysis

The present work reports the porous alumina structures fabrication and their quantitative structural characteristics study based on mathematical morphology analysis by using the SEM images. The algorithm used in this work was implemented in 6.2 MATLAB software. Using the algorithm it was possible to obtain the distribution of maximum, minimum and average radius of the pores in porous alumina structures. Additionally, with the calculus of the area occupied by the pores, it was possible to obtain the porosity of the structures. The quantitative results could be obtained and related to the process fabrication characteristics, showing to be reliable and promising to be used to control the pores formation process. Then, this technique could provide a more accurate determination of pore sizes and pores distribution.