Structural Studies Research Articles

SPYGLASS. V. Spatially and Temporally Structured Star-forming Environments in the Cepheus-Hercules Complex

Young associations record complete histories of star-forming events through their demographics and dynamics, and Gaia has greatly expanded our knowledge of these associations. We present the first structural and dynamical overview study of the Cep-Her Complex, which has recently emerged as the largest stellar population within 500 pc that still lacks substantial follow-up. We reveal that Cep-Her is not a singular association, but rather an amalgam of four, consisting of the older (τ > 100 Myr) open cluster Roslund 6, in addition to three dynamically coherent and highly substructured young associations that we focus on: Orpheus (25–40 Myr), Cinyras (28–43 Myr), and Cupavo (54–80 Myr). With 9552 ± 960 stars in Orpheus, 3872 ± 455 stars in Cinyras, and 8794 ± 1827 stars in Cupavo, all three are among the largest young associations within 500 pc, rivalling major associations like Sco-Cen. Our novel view of the ages and dynamics of these associations reveals evidence for sequential star formation in Cinyras, in addition to a multiorigin pattern of stellar dispersal in Orpheus that may hint to the presence of multiple clouds at formation. Dynamical simulations indicate that, while some embedded open clusters and central components of these associations are converging, they likely lack the mass necessary to capture one another and undergo hierarchical cluster assembly. Our results provide our first view of the complex star-forming environments that gave rise to the associations of Cep-Her, which will serve as important laboratories for future studies of star and planet formation.

A Universal Support for the Solid-Phase Synthesis of Peptidyl-tRNA Mimics.

Hydrolysis-resistant RNA-peptide conjugates that mimic peptidyl-tRNAs are often required for structural and functional studies of protein synthesis at the ribosome. These conjugates can be synthesized by solid-phase chemical synthesis, which allows maximum flexibility in both the peptide and RNA sequence. The commonly used strategy is based on (3'-N-aminoacyl)-3'-amino-3'-deoxyadenosine solid supports, which already contain the first C-terminal amino acid of the target peptidyl chain. This is a limitation in the sense that different individual supports must be synthesized for different C-terminal amino acids. In this study, we demonstrate a solution to this problem by introducing a novel universal support. The key is a free ribose 3'-NH2 group that can be coupled to any amino acid. This is made possible by a photocleavable ether moiety that links the ribose 2'-O to the support, thus avoiding the typical O-to-N migration that occurs when using 2'-O-acyl linked solid supports. Once assembled, the conjugate is readily cleaved by UV irradiation. The structural integrity of the obtained peptidyl-RNA conjugates was verified by mass spectrometry analysis. In conclusion, the new photocleavable solid support makes the synthesis of 3'-peptidyl tRNA mimics of different peptidyl chains significantly more efficient compared to the commonly used approaches.

EXPRESS: The lexical boost is not an automatic part of sentence production: Evidence from Japanese structural priming.

The lexical boost is an increase in structural priming with overlapping elements like verbs. Residual activation priming theories argue that the boost is an automatic side effect of sentence planning. In contrast, explicit memory theories of the boost argue that it is the result of a non-automatic explicit memory retrieval. These theories were contrasted in Japanese by including a prime memory task in a structural priming study. Structural priming was found for both datives and passives, but no lexical boost was found and one possible reason was that explicit memory for the prime structure was weak. In a follow-up study, priming was found in a sentence completion task, but there was no lexical boost. The existence of abstract priming and the lack of a lexical boost in these studies falsifies theories that argue that verb overlap automatically creates a boost under conditions that exhibit abstract priming.

A Brief Introduction on Latent Variable Based Ordinal Regression Models With an Application to Survey Data.

The analysis of survey data is a frequently arising issue in clinical trials, particularly when capturing quantities which are difficult to measure. Typical examples are questionnaires about patient's well-being, pain, or consent to an intervention. In these, data is captured on a discrete scale containing only a limited number of possible answers, from which the respondent has to pick the answer which fits best his/her personal opinion. This data is generally located on an ordinal scale as answers can usually be arranged in an ascending order, for example, "bad", "neutral", "good" for well-being. Since responses are usually stored numerically for data processing purposes, analysis of survey data using ordinary linear regression models are commonly applied. However, assumptions of these models are often not met as linear regression requires a constant variability of the response variable and can yield predictions out of the range of response categories. By using linear models, one only gains insights about the mean response which may affect representativeness. In contrast, ordinal regression models can provide probability estimates for all response categories and yield information about the full response scale beyond the mean. In this work, we provide a concise overview of the fundamentals of latent variable based ordinal models, applications to a real data set, and outline the use of state-of-the-art-software for this purpose. Moreover, we discuss strengths, limitations and typical pitfalls. This is a companion work to a current vignette-based structured interview study in pediatric anesthesia.

The structure and formation of non-volatile memory cells of Superflash

Split-gate embedded Flash memory technology has been around for decades and has become the standard for a wide range of devices, such as microcontrollers and smart cards. Among the, due to a number of advantages, Silicon Storage Technology Super Flash non-volatile memory technology has become the most widespread. This article presents the results of a study of the memory cells structure, examines in detail the principle of their operation and the main technological stages of the production process of forming transistor structures.

The role of BaTiO3 nanoparticles as photocatalysts in the synthesis and characterization of novel fruit dyes is investigated.

In the present work, the photocatalytic activity against the natural dye extracted from the novel fruits has been studied by the BaTiO3 nanoparticles (NPs) under a ultra-violet (UV) light source. The large concentrations of an essential phenolic agent present in this phytochemical extract superimposed with cloths fibers make strong stain and degrade into another form of toxic, which is excluded from the many textiles industries as the colorful waste waters without recycling and removal of that dye pigments have been investigated using both photodegradation and photoluminescence techniques. The entitled nanoparticles (NPs) were prepared using the soft chemical root-modified solvothermal synthesis combo method and exposure to heat treatment such that the annealing process has been done for different temperatures ranging from 100°C to 250°C. As for as concern the characterization, as a start, structural and morphology studies have been reported here that highly crystalline oriented peaks data using powder x-ray diffraction techniques (PXRD) as well as the surface morphology including the size, shape, and mass distribution using the field emission scanning electron microscopy (FESEM) techniques, which purely belong to rutile tetragonal structure of the crystal system and circular and noncircular flakes like rough surface morphology materials respectively. The lattice dissociation constant 'ε' value of the BaTiO3 NPs has determined to be ~2.71 × 10-3 using the Williamson-Hall (W-H plot) analysis of crystallographic data. In the UV visible spectroscopy findings, since the extreme quantum confinement of BaTiO3 nanoflakes/nanodisc, the optical energy bandgap has been estimated to be a range of 1.98 to 2.67 eV (~2.48 eV) found from the Tauc plot analysis, which contributes to the significantly owing to the enhanced photocatalytic efficiency with excellent performance along exciton formation, superoxide ions, and hydroxyl free radicals generations under UV-vis light irradiation resulting in efficient degradation of typical novel fruit organic dye. Photoluminescence spectra observed at room temperature and low temperature have been observed for the BaTiO3 nanoflakes, which exhibit the blue emission due to the crystalline defects such as the appearance of Ba vacancies leads to the conceivable beginning of p-type conductivity and the origination of free exciton emission reveals the direct bandgap transition nature of nanoflakes. RESEARCH HIGHLIGHTS: According to our findings, 89.71% of the natural syzygium cumin is degraded by photocatalysis reaction. As a plausible mechanism for the destruction of natural dyes under solar light, photocatalytic destruction has been proposed. The reaction between these reactive free radical species leads to high efficiency photodegradation with a short decay time. In addition to water treatment and environmental cleaning applications, the excellent performance of this photocatalyst makes it a promising candidate for other applications. Hence, the synthesized BaTiO3 nanoflakes showcase a highly significant advancement towards the development of a textiles dye recycling method.

Biochemical Characterization of an Arabinoside Monophosphate Specific 5′-Nucleotidase-like Enzyme from Streptomyces antibioticus

To investigate the function of the gene penF in the pentostatin and vidarabine (Ara-A) biosynthetic gene cluster in Streptomyces antibioticus NRRL 3238, PenF was recombinantly expressed and characterized. Enzymatic characterization of the enzyme demonstrated that PenF exhibited metal-dependent nucleoside 5ʹ-monophosphatase activity, showing a substrate preference for arabinose nucleoside 5ʹ-monophosphate over 2ʹ-deoxyribonucleoside 5ʹ-monophosphate and ribonucleoside 5ʹ-monophosphate. Metal ions such as Mg2+ and Mn2+ significantly enhanced enzyme activity, whereas Zn2+, Cu2+, and Ca2+ inhibited it. For vidarabine 5′-monophosphate, the Km and kcat values were determined to be 71.5 μM and 33.9 min−1, respectively. The kcat/Km value was 474.1 mM−1·min−1 for vidarabine 5-monophosphate and was 68-fold higher than that for 2′-deoxyadenosine 5′-monophosphate. Comparative sequence alignment and structural studies suggested that residues outside the primary substrate-binding site are responsible for this substrate specificity. In conclusion, PenF’s activity toward vidarabine 5ʹ-monophosphate likely plays a role in the dephosphorylation of precursors during Ara-A biosynthesis.

Synthesis and structural studies on zinc(II) macrocyclic and hetrocyclic complexes derived from schiff base and mixed ligands of 1,4-dihydroquinoxaline-2,3-dione, orthophenylene diamine and hydroquinone

In this study two new zinc(II) complexes involving oxygen and nitrogen donor sequences derived from 1,4-dihydroquinoxaline-2,3-dione (QXD), o-phenylenediamine (OPD) and hydroquinone (HQ) were synthesized through a template procedure. The structural elucidation of these complexes was carried out using measurement of molar conductance in 1x10-3 M solution of DMSO and various spectral techniques; 1H and 13C NMR, FT-IR, UV-VIS and AAS. The results showed that the zinc(II) ion coordinates with the Schiff base ligands in octahedral geometry, leading to the formation of stable macrocyclic and heterocyclic structures. The cyclic ligand (L) was found to coordinate as NNNN donor, through four imine nitrogen atoms which were formed up on condensation of the –NH2 groups on o-phenylenediamine with C=O group on quinoxaline dione in a 2:2 mole ratio, in the presence of one mole equivalent of ZnCl2 in ethanol medium. It also indicates the formation of a new mixed ligand zinc(II) complex with an OO OO O O coordination around zinc(II). The study contributes to the understanding of the coordination chemistry of zinc(II) with Schiff bases and provides insights into the development of novel zinc-based complex compounds. KEY WORDS: Macrocyclic and mixed ligand, 1,4-Dihydroquinoxaline-2,3-dione, o-Phenylenediamine, Hydroquinone Bull. Chem. Soc. Ethiop. 2025, 39(1), 49-64. DOI: https://dx.doi.org/10.4314/bcse.v39i1.4

Determinants of oral health among Iranian soldiers: a structural equation modeling study

BackgroundMilitary personnel often face unique challenges in maintaining optimal oral health. This study investigated the oral health status, caries experience, and associated factors among a sample of Iranian soldiers, employing a structural equation modeling (SEM) approach to explore the complex interplay of socioeconomic and behavioral determinants.MethodsA cross-sectional study was conducted among 658 male soldiers aged 18–30 years from three military barracks in Fars province, Iran. Data were collected through a structured instrument and clinical oral examinations. The study employs the DMFT index, which measures caries experience based on decayed, missing, and filled teeth, along with the Simplified Oral Hygiene Index (OHI-S) to assess overall oral health status. Structural equation modeling was employed to analyze the complex relationships between socioeconomic factors, oral health behaviors, and oral health outcomes.ResultsThe mean DMFT score was 3.57 ± 5.91, and the mean OHIS score was 0.56 ± 1.42. SEM analysis revealed that socioeconomic status (SES) indirectly influenced DMFT and oral hygiene scores, mediated by drug use, oral hygiene practices, dietary sugar consumption, and dental visit frequency. Lower toothbrushing frequency was significantly associated with higher DMFT (Estimate = -0.064, p < 0.001) and OHIS scores (Estimate = -0.637, p < 0.001). Drug use (smoking, qalyan, alcohol) was linked to poorer oral health outcomes, while more frequent dental visits were associated with lower DMFT and OHIS scores.ConclusionThis study reveals the complex interplay between socioeconomic conditions, oral health behaviors, and oral health outcomes among Iranian soldiers. The findings highlight the need for targeted interventions to address modifiable risk factors and improve access to preventive dental care within military settings. Future longitudinal studies are warranted to elucidate further the causal pathways between these factors and oral health outcomes in military populations.

Anchoring of boron halides BX (X: F, Cl, and Br) on transition metal (M: Cr, Mo, W) carbonyl complexes M(CO)5 (M: Cr, Mo, W): structure, bonding, and energy decomposition studies based on theoretical calculations

Anchoring of boron halides BX (X: F, Cl, and Br) on transition metal (M: Cr, Mo, W) carbonyl complexes M(CO)5 (M: Cr, Mo, W): structure, bonding, and energy decomposition studies based on theoretical calculations

Stand Dynamics of Non-Wood Forest Product Species in the Kuinima Classified Forest (KCF) in the Houet Province (Burkina Faso)

The vegetation cover of forest ecosystems in sub-Saharan Africa is currently deteriorating. Species that provide non-wood forest products such as Vitellaria paradoxa, Parkia biglobosa and Adansonia digitata are not spared. The aim of this study is to contribute to the valorization and conservation of these species. To achieve this, a forest inventory of the main species was conducted in the Kuinima classified forest. A systematic inventory was carried out using circular plots with a radius of 20 cm. The data obtained was complemented by a structural study of these formations, based on the circumference measured at 1m 30 from the ground. ANOVA analysis of variance revealed a significant difference between densities. The results show that Vitellaria paradoxa has the highest average density (47.714±65.165 individuals/ha), followed by Parkia biglobosa (5.626±2.29 individuals/ha). In terms of health condition, Vitellaria paradoxa is the most attacked by Loranthaceae (41.93%). Regarding the stand structure, all three species show an abundance of juvenile trees (c ≤20 cm). Moreover, with the low mortality rates observed, the dynamics is evolutionary for all three species. In order to preserve the wood potential of this forest, capacity building, technical and awareness-raising actions could be undertaken. These results constitute data that should be taken into account in programs for the conservation of NWFP species in general, and for the control of Loranthaceae that parasitize Vitellaria paradoxa in particular.

POSITRON SOURCES OF THE MULTIFUNCTIONAL ACCELERATOR COMPLEX OF NSC KIPT

The possibility of producing positron beams using an electron recycler, the conceptual design of which is being developed at KIPT, is considered. The positron flux after the tantalum converter was estimated. The efficiency of the process of injection and acceleration of positrons to 181 and 356 MeV for high-energy physics experiments was calculated. The characteristics of the beam for use in structural studies of solid state physics are considered.

Structural study and molecular docking insights into laccase-mediated dye degradation

Industrial wastewater often contains harmful dyes, posing significant environmental challenges. This study used computational tools to investigate the interactions between the low-degradability Azo dye, Reactive Blue 19, and laccase enzyme from two fungi species, Lentinus sp. WR2 and Trametes versicolor, as well as the protein Xyn5B (GH30) from Bacillus sp. BP7. Physiochemical characterization indicated acidic properties for Lentinus sp. WR2 and T. versicolor, while basic characteristics for Bacillus sp. BP7. Secondary structure (SOPMA analysis) revealed that most laccases had random coiling, enhancing protein flexibility. The negative GRAVY index revealed favorable water interaction for Lentinus sp. WR2 and Bacillus sp. BP7. The ERRAT plot validated the laccase 3D structure. The molecular docking results were compared using active site prediction and docking score. Lentinus sp. WR2 is linked with Reactive Blue 19 through a single residual amino acid THR 168; T. versicolor is linked through GLY 101, TRP 98, and TRP 512; and Bacillus sp. BP7 exhibited four linkages: VAL 262, TYR 263, TRP 117, and THR 260. The molecular docking results showed that Xyn5B demonstrated laccase activity and bound effectively with Reactive Blue 19, outperforming a commonly used fungal laccase in dye degradation. These findings enhance our understanding of enzyme-substrate interactions and highlight the potential of Xyn5B in eco-friendly dye degradation.

Expansion Properties of the Young Supernova Type Iax Remnant Pa 30 Revealed

The recently discovered Pa 30 nebula, the putative type Iax supernova remnant associated with the historical supernova of 1181 AD, shows puzzling characteristics that make it unique among known supernova remnants. In particular, Pa 30 exhibits a complex morphology, with a unique radial and filamentary structure, and it hosts a hot stellar remnant at its center, which displays oxygen-dominated, ultrafast winds. Because of the surviving stellar remnant and the lack of hydrogen and helium in its filaments, it has been suggested that Pa 30 is the product of a failed thermonuclear explosion in a near- or super-Chandrasekhar white dwarf, which created a subluminous transient, a rare subtype of the Ia class of supernovae called type Iax. We present here a detailed study of the 3D structure and velocities of a full radial section of the remnant. The Integral Field Unit observations, obtained with the new red channel of the Keck Cosmic Web Imager spectrograph, reveal that the ejecta are consistent with being ballistic, with velocities close to the free-expansion velocity. Additionally, we detect a large cavity inside the supernova remnant and a sharp inner edge to the filamentary structure, which coincides with the outer edge of a bright ring detected in infrared images. Finally, we detect a strong asymmetry in the amount of ejecta along the line of sight, which might hint at an asymmetric explosion. Our analysis provides strong confirmation that the explosion originated from SN 1181.

Crystal structures of Aspergillus oryzae exo-β-(1,3)-glucanase reveal insights into oligosaccharide binding, recognition, and hydrolysis.

Exo-β-(1,3)-glucanases are promising enzymes for use in the biofuel industry as they hydrolyse sugars such as laminarin, a major constituent of the algal cell wall. This study reports structural and biochemical characterizations of Aspergillus oryzae exo-β-(1,3)-glucanase (AoBgl) belonging to the GH5 family. Purified AoBgl hydrolyses β-(1,3)-glycosidic linkages of the oligosaccharide laminaritriose and the polysaccharide laminarin effectively. We have determined three high-resolution structures of AoBgl: (a) the apo form at 1.75 Å, (b) the complexed form with bound cellobiose at 1.73 Å and (c) the glucose-bound form at 1.20 Å. The crystal structures, molecular dynamics simulation studies and site-directed mutagenesis reveal the mode of substrate binding and interactions at the active site. The results also indicate that AoBgl effectively hydrolyses trisaccharides and higher oligosaccharides. The findings from our structural and biochemical studies would aid in rational engineering efforts to generate superior AoBgl variants and similar GH5 enzymes for their industrial use.

Rheological, Structural and Melt Spinnability Study on Thermo-plastic Starch/PLA Blend Biopolymers and Tensile, Thermal and Structural Characteristics of Melt Spun Fibers

Rheological, Structural and Melt Spinnability Study on Thermo-plastic Starch/PLA Blend Biopolymers and Tensile, Thermal and Structural Characteristics of Melt Spun Fibers

Sodium Alkyl(trimethylsilyl)amides: Substituent- and Solvent-dependent Solution Structures and Reactivities.

The preparation of sodium isopropyl(trimethylsilyl)amide (NaPTA), sodium (1-phenylethyl)(trimethylsilyl)amide (NaPETA), sodium tert-butyl(trimethylsilyl)amide (NaBTA), and isotopologues [15N]NaPTA and [15N]NaBTA are described. Solution structural studies using a combination of 29Si NMR spectroscopy, the Method of Continuous Variations, and density functional theory computations provided insights into aggregation and solvation in a range of solvents including toluene, N,N-dimethylethylamine, triethylamine, MTBE, THF, 1,2-dimethoxyethane (DME), diglyme, N,N,N',N'-tetramethylethylenediamine (TMEDA), N,N,N',N'-tetramethylcyclohexanediamine (TMCDA), N,N,N',N″,N″-pentamethyldiethylenetriamine (PMDTA). 12-crown-4, 15-crown-5, and 18-crown-6 revealed solvent- and substituent-dependent dimer-monomer mixtures with affiliated solvation numbers. Complexation of the three crown ethers documented both crown and substituent dependencies. Qualitative studies of reactivity showed a variety of reactions of NaPETA. Aminolysis of methyl benzoate with dialkylamines mediated by NaPTA afforded high yields of benzamides. Quantitative rate studies of aminolysis of methyl benzoate by NaPTA revealed a 47,000-fold range of rates. Detailed rate studies in toluene and THF showed dimer-based mechanisms. The role of primary- and secondary-shell solvation by THF is discussed, including nuances of methods used to separate the two contributions. PMDTA-solvated NaPTA monomer reacts as a monomer whereas bis-diglyme solvated monomer reacts as a dimer. Rate studies exploring the structure-reactivity correlations of the three crown ethers show mono- and bis-crown-based pathways in which 15-crown-5─the crown ether often said to be of choice for sodium─was decidedly inferior as an accelerant.

Study of structure and properties of dual-size grain copper matrix composites prepared by NbC and rare earth element La

Study of structure and properties of dual-size grain copper matrix composites prepared by NbC and rare earth element La

Experimental study of the flow structure around the oral arms of a jellyfish-inspired pump mechanism

Experimental study of the flow structure around the oral arms of a jellyfish-inspired pump mechanism

Effects of the Amyotrophic Lateral Sclerosis-related Q108P Mutation on the Structural Ensemble Characteristics of CHCHD10.

The Q108P pathological variant of the mitochondrial Coiled-Coil-Helix-- Coiled-Coil-Helix Domain-Containing Protein 10 (CHCHD10) has been implicated in amyotrophic lateral sclerosis (ALS). Both the wild-type and CHCHD10Q108P proteins exhibit intrinsically disordered regions, posing challenges for structural studies with conventional experimental tools. This study presents the foundational characterization of the structural features of CHCHD10Q108P and compares them with those of the wild-type counterpart. We conducted multiple run molecular dynamics simulations and bioinformatics analyses. Our findings reveal distinct differences in structural properties, free energy surfaces, and the outputs of principal component analysis between these two proteins. These results contribute significantly to the comprehension of CHCHD10 and its Q108P variant in terms of pathology, biochemistry, and structural biology. The reported structural properties hold promise for informing the development of more effective treatments for ALS.