Structural Variations Research Articles

Diversity and selection analyses identify transmission-blocking antigens as the optimal vaccine candidates in Plasmodium falciparum

A highly effective vaccine for malaria remains an elusive target, at least in part due to the under-appreciated natural parasite variation. This study aimed to investigate genetic and structural variation, and immune selection of leading malaria vaccine candidates across the Plasmodium falciparum's life cycle. We analysed 325P.falciparum whole genome sequences from Zambia, in addition to 791 genomes from five other African countries available in the MalariaGEN Pf3k Database. Ten vaccine antigens spanning three life-history stages were examined for genetic and structural variations, using population genetics measures, haplotype network analysis, and 3D structure selection analysis. Among the ten antigens analysed, only three in the transmission-blocking vaccine category display P. falciparum 3D7 as the dominant haplotype. The antigens AMA1, CSP, MSP119 and CelTOS, are much more diverse than the other antigens, and their epitope regions are under moderate to strong balancing selection. In contrast, Rh5, a blood stage antigen, displays low diversity yet slightly stronger immune selection in the merozoite-blocking epitope region. Except for CelTOS, the transmission-blocking antigens Pfs25, Pfs48/45, Pfs230, Pfs47, and Pfs28 exhibit minimal diversity and no immune selection in epitopes that induce strain-transcending antibodies, suggesting potential effectiveness of 3D7-based vaccines in blocking transmission. These findings offer valuable insights into the selection of optimal vaccine candidates against P.falciparum. Based on our results, we recommend prioritising conserved merozoite antigens and transmission-blocking antigens. Combining these antigens in multi-stage approaches may be particularly promising for malaria vaccine development initiatives. Purdue Department of Biological Sciences; Puskas Memorial Fellowship; National Institute of Allergy and Infectious Diseases (U19AI089680).

Vanishing of local cohomology with applications to Hodge theory

Let H=((H,F•),L) be a polarized variation of Hodge structure on a smooth quasi-projective variety U. By M. Saito's theory of mixed Hodge modules, the variation of Hodge structure H can be viewed as a polarized Hodge module M∈HM(U). Let X be a compactification of U, and j:U↪X is the natural map. In this paper, we use local cohomology with mixed Hodge module theory to study j+M∈DbMHM(X). In particular, we study the graded pieces of the de Rham complex GrpFDR(j+M)∈Dcohb(X), and the Hodge structure of Hi(U,L) for i in sufficiently low degrees.

Synthesis of Isotypic Giant Polymolybdate Cages for Efficient Photocatalytic C-C Coupling Reactions.

The construction of isotypic high-nuclearity inorganic cages with identical pristine parent structure and increasing nuclearity is highly important for molecular growth and structure-property relationship study, yet it still remains a great challenge. Here, we provide an in situ growth approach for successfully synthesizing a series of new giant hollow polymolybdate dodecahedral cages, Mo250, Mo260-I, and Mo260-E, whose structures are growth based on giant polymolybdate cage Mo240. Remarkably, they show two pathways of nuclear growth based on Mo240, that is, the growth of 10 and 20 Mo centers on the inner and outer surfaces to afford Mo250 and Mo260-I, respectively, and the growth of 10 Mo centers both on the inner and outer surfaces to give Mo260-E. To the best of our knowledge, this is the first study to display the internal and external nuclear growth of a giant hollow polyoxometalate cage. More importantly, regular variations in structure and nuclearity confer these polymolybdate cages with different optical properties, oxidative activities, and hydrogen atom transfer effect, thus allowing them to exhibit moderate to excellent photocatalytic performance in oxidative cross-coupling reactions between different unactivated alkanes and N-heteroarenes. In particular, Mo240 and Mo260-E with better comprehensive abilities can offer the desired coupling product with yield up to 92% within 1 h.

Recommendations on self-management interventions for adults living with obesity: COMPAR-EU project.

Self-management interventions (SMIs) may improve disease management in adults living with obesity. We formulated evidence-based recommendations for SMIs within the context of the COMPAR-EU project. The multidisciplinary panel selected critical outcomes based on the COMPAR-EU core outcome set and established decision thresholds for each outcome. Recommendations were informed by systematic reviews of effects, cost-effectiveness, and a contextual assessment. To assess the certainty of the evidence and formulate the recommendations, we used the GRADE approach guidance. Overall, SMIs were deemed to have a small impact, but the absence of harmful effects and potential cumulative benefits indicated a favourable balance of effects, despite low certainty. SMIs showed variations in structure, intensity, and resource utilisation, but overall are likely to be cost-effective. Adapting SMIs to local contexts would enhance equity, acceptability, and feasibility, considering patients' values, and availability of resources and teamwork. Consequently, the panel made conditional recommendations favouring SMIs over usual care. The rigorous and explicit recommendations demonstrated the effectiveness of SMIs for adults living with obesity. However, the gaps in the literature influenced the panel to make only conditional recommendations in favour of SMIs. Further research is needed to strengthen the evidence base and improve recommendations' certainty and applicability.

Thiosalicylic-Acid-Mediated Coordination Structure of Nickel Center via Thermodynamic Modulation for Aqueous Ni-Zn Batteries.

Uniquely functional nanocomplexes with rich coordination environments are critical in energy storage. However, the construction of structurally versatile nanocomplexes remains challenging. In this study, a nickel-based complex with structural variations is designed via thermodynamic modulation using a dual-ligand synthesis strategy. A nickel-based nanomaterial (NiSA-SSA-160) with a large specific surface area is synthesized around the competing coordination of the host and guest molecules that differ in terms of the chemical properties of the O and S elements. Concurrently, the coordination environment of NiSA-SSA-160 is investigated via X-ray absorption fine structure spectroscopy. The thiol functional groups synergistically induced an electron-rich Ni structure, thus increasing the electron density of the central atom. The electrochemical performance of an assembled NiSA-SSA-160//Zn@CC battery is shown to improve significantly, with a maximum energy density of 0.54 mWh cm-2 and a peak power density of 49.49mW cm-2. This study provides a new perspective regarding coordination transformations and offers an idea for the design of functionally rich nanomaterials.

Machine learning assisted designing of Y-series small molecule acceptors: Library generation and property prediction

The designing of new small molecule acceptors (SMAs) for organic solar cells has been a prominent area of research for many decades. It is challenging to find unique materials due to expensive experimentation. Machine learning emerges as a promising tool for rapid and cost-effective prediction of properties. In the current study, electron affinity is predicted using machine learning models. Molecular descriptors are calculated for model training. Four machine learning models are used. A reasonably high predictive capability is obtained for random forest model (r-squared values of 0.92 and 0.82 for training and test set, respectively). Furthermore, the chemical database of small molecule acceptors is generated. Generated virtual space is anticipated by exploiting the t-distributed stochastic neighbor embedding (t-SNE) method. Structure Activity Landscape Index (SALI) analysis is conducted to examine how properties change with structural variations. A minimal change in electron affinity resulted from structural modifications. Additionally, clustering analysis is performed on selected small molecule acceptors for structural grouping of SMAs. Five SMAs with lowest synthetic accessibility (SA) score are selected for density functional theory (DFT) calculations. The introduced multiple dimensional framework has potential screened the materials in short-time and efficient way.

Comparative Evaluation of Anterior Segment Optical Coherence Tomography Findings Following Accelerated Corneal Crosslinking Protocols Using Different Riboflavin Formulations and Soaking Durations

Purpose To comparatively evaluate the influence of different riboflavin formulations and soaking durations on the anterior segment optical coherence tomography (AS-OCT) findings following accelerated corneal crosslinking (ACXL) at 9 mW/cm2 for in progressive keratoconus. Methods In this prospective study, consecutive patients with progressive keratoconus were randomized into 4 groups. Group 1: hydroxypropyl methylcellulose (HPMC)-based riboflavin for 10 min; Group 2: HPMC-based riboflavin for 20 min; Group 3: dextran-based riboflavin (0.1%) for 30 min. Riboflavin soaking was followed by ultraviolet-A irradiation at 9 mW/cm2 for 10 min in all three groups. Group 4 underwent conventional CXL (CCXL) using Dresden protocol. The AS-OCT features of the crosslinked cornea were evaluated at postoperative month 1 and correlated to the clinical outcomes at postoperative month 12. Results The study enrolled 26 eyes of 26 patients in each group. In groups 1 and 2, the AS-OCT findings were similar (p > .05) and the demarcation lines depth (DLD) were deep as obtained following CCXL. The DLD was significantly shallower in group 3 compared to the other groups (p < .01). There were no between-group differences in regards to the visual, refractive, keratometric, and tomographic outcomes at postoperative month 12. No significant endothelial cell loss or any other clinically significant adverse event was encountered in any patient’s eye at 12 months follow-up. Conclusion Although structural variations were noted in the crosslinked cornea, DLDs observed following ACXL (9 mW/cm2) using HPMC-based solution for 10 or 20 min were similar to those observed following CCXL. Whereas, ACXL (9 mW/cm2) using dextran-based solution for 30 min resulted in the shallowest DLD. Despite these remodeling differences, the visual, refractive and tomographic outcomes of all groups were comparable at postoperative 1-year follow-up. Studies with a greater number of patients and longer follow-ups are required to establish any relation between AS-OCT characteristics of crosslinked cornea and ACXL efficacy.

Living with parents or attaining residential independence? A comparative study of young adults’ living arrangements in China and South Korea

This study examines the living arrangements of never-married urban young adults in China and South Korea from 2003 to 2018. Using data from the Chinese General Social Survey and the Korean General Social Survey, we investigate the relationship between socioeconomic status and young adults’ living arrangements. Our findings show that a majority of Korean young adults lived with their parents during the observed time period, while Chinese young adults experienced large shifts in their living arrangements. Findings from weighted logistic models demonstrate that employed or high-income young adults were more likely to leave the parental home than those who were not working, suggesting the important role of economic security in independent living. Highly educated young adults in China tended to have residential independence, while education was not significantly associated with Korean young adults’ living arrangements. Korean young adults with highly educated fathers were more likely to stay with parents. The interconnection between family socioeconomic characteristics at the micro level and variations in opportunity structures at the macro level results in country-specific patterns of living arrangements.

Effects of space-confined ratio on the MILD combustion of coke oven gas

The objective of this study is to investigate the effects of the spatial structure on MILD combustion characteristics of coke oven gas via numerical simulation. The space-confined ratio, defined as the ratio of the furnace height to the longest diagonal of the transverse section, is used to characterize the variation in spatial structure. An experimental study in a long-narrow confined furnace (LNCF) was initially conducted to investigate the conditions for achieving MILD combustion. Subsequently, the effects of spatial structure on MILD combustion characteristics were thoroughly investigated through numerical simulation by altering the space-confined ratio of the LNCF. The experimental results show that the transition from conventional combustion to MILD combustion is achieved at a dilution rate of 50 %, which improves the temperature uniformity and reduces the NO emission by 96.5 % to 3 ppm. The numerical results show that reducing the space-confined ratio enhances the flue gas internal recirculation and the temperature uniformity, especially the maximum temperature is significantly reduced. Moreover, reducing the space-confined ratio achieves nearly zero NO emissions, but an excessively space-confined ratio may result in incomplete combustion, consequently causing a significant rise in CO emissions. To guarantee complete combustion, the optimal furnace structure is achieved at a space-confined ratio of 6.4, ensuring not only temperature uniformity but also ultra-low emissions of NO and CO. Therefore, this study provides a theoretical and practical foundation for the ultra-low emission of pollutants in space-confined combustion systems.

Kinetics and mechanisms of high-temperature oxidation in BCC and FCC high-alloy Fe-based alloys with high volume fraction of carbides

This study conducts a detailed analysis of high-temperature oxidation and microstructural evolution in two high-alloy Fe-based alloys, each characterized by a high-volume fraction of carbides but differentiated by their matrices − body-centered cubic (BCC) and face-centered cubic (FCC), which was achieved by the addition of nickel. By investigating the intricate interplay of factors such as phase composition, nickel content, and the presence of carbides, this research aims to elucidate the diverse oxidation kinetics and underlying mechanisms specific to each alloy type. Results show that the BCC alloy exhibits slower oxidation kinetics compared to its FCC counterpart, suggesting better performance in high-temperature environments. Moreover, while both alloys develop strong adhesive oxide scales primarily composed of Cr2O3, the FCC alloy experiences more pronounced scale spallation and cracking. A faster progression of decarburization was observed in the BCC alloy. This comprehensive comparison highlights how variations in matrix structure, along with nickel content and carbide behavior, critically influence oxidation kinetics, scale adhesion, and the overall integrity of oxide scales. Understanding these nuanced interactions is crucial for designing high-performance alloys tailored for extreme operating conditions.

Along-Strike Forearc and Subducted Upper Slab Structure beneath North Chile : Slow Slip Implications

We evaluate the lateral variation of the lithospheric structure beneath the forearc of the North Chile subduction zone along strike, extending from Iquique to Valparaiso, to understand a possible seismic structure that hosts deep slow earthquakes by comparing the deep slow slip areas around 60 km depth, using receiver function and inversion method. Relative differences are investigated in seismic velocities around the plate interface, especially underlying the mantle wedge, the upper part of the subducted oceanic crust, and the oceanic mantle along the subduction strike. We estimate and compare the thickness and velocity of subducted oceanic crust, slab top, subducted oceanic Moho, continental Moho, and wedge mantle velocity beneath the seismic stations. The oceanic crustal thickness range from ∼5-10 km respectively, and the oceanic Moho depth is ∼40 km to ∼90 km. It was observed that the disparities in velocities were more pronounced near the south of the Iquique zone (18oS-25oS), with high subducting oceanic crust velocities. These discrepancies in velocities could be regarded as the presence of fluids from subducted ridges and seamounts, which might alter seismicity in the area, including slow slip.

Understanding process parameter-induced variability for tailoring precipitation behavior, grain structure, and mechanical properties of Al-Mg-Si-Mn alloy during solid-state additive manufacturing

Additive friction stir deposition (AFSD), a solid-state additive manufacturing technique, has excellent industrial application potential, particularly for Al alloys. However, in-depth process parameter-microstructure-property correlations are lacking, especially regarding precipitation behavior. In this work, AFSD of Al-Mg-Si-Mn alloy with various process parameter combinations was performed to understand the variation (by ∼ 70 %) in the nano/microhardness, concerning the precipitation behavior. The low nano/microhardness sample exhibited dissolution of the β” strengthening phase. However, higher nano/microhardness samples showed varying microstructural features with high dislocation density owing to fine-scale pre-β” precipitation and another sample possessed inhomogeneous β” phase distribution and β’ precipitation at the grain boundaries, thus exhibiting reprecipitation during AFSD. The variation in the grain structure was such that the high nano/microhardness samples exhibited large, elongated grains (∼11 to 13 µm) and low recrystallization fractions (∼16 –18 %) suggesting a predominantly non-recrystallized microstructure. Conversely, the lowest nano/microhardness sample exhibited the smallest grain size (∼5 µm) and, a higher recrystallization fraction (∼42 %). These findings demonstrate extensive variation in the precipitation behavior, grain structure, and mechanical properties due to the process parameters. Future applications can leverage this knowledge to tailor the microstructure and mechanical properties based on the identified process parameter combinations.

Evaluation of sustainability of fabrication process and characterization studies of activated carbon nanocatalyst from waste chestnut peels

This study uses waste chestnut peels to synthesize low-cost activated carbon-based catalysts through pyrolysis and calcination, investing distinct structural and compositional variations. The X-ray diffraction (XRD) analysis indicated sharp crystalline peaks in the calcinated product, contrasting with the amorphous nature of carbon material with some partially crystalline and distorted graphitic phases of the pyrolyzed product. Fourier-transform Infrared spectroscopy (FT-IR) analysis shows the presence of various functional groups such as O-H, C-O, C-H, C=O, and C=C. The analysis made through the scanning electron microscope (SEM) and transmission electron microscope (TEM) depicted a packed and agglomerated structure with different irregular particle shapes in the calcined carbon, while the sample prepared through pyrolysis exhibited a network-like structure with some interconnected voids. Energy dispersive X-ray (EDX) analysis showed varying carbon content which is found to be 47.41% in the case of the calcinated sample and 99.7 % in the product prepared through pyrolysis. The calcined carbon exhibited a band gap of 4 eV, while the pyrolyzed carbon showed a higher band gap of 4.8 eV. In addition, the catalyst prepared through the calcination process exhibited significantly higher luminance intensity than that produced through pyrolysis, while both samples showed an excitation-dependent emission property. This work presents two simple methods for synthesizing nanocarbon-based catalysts using waste lignocellulosic biomass. In addition, the optical properties of the resulting nanocarbons suggest that they can be further explored for their applications as catalysts or biosensing agents.

Properties of an optical event timer for satellite laser ranging

The resolution and above all the stability of the geodetic reference frames is crucially important when global change, such as the sea level rise is observed. In this context systematic errors are still presenting a significant challenge to the measurement techniques of space geodesy. In order to overcome this unfortunate situation for the satellite laser ranging technique, we have utilized the injection of a mode-locked laser to provide a stable low-noise link between the optical domain, where the measurements are carried out, and the microwave regime in which the station clock is defined. We obtained a considerably enhanced measurement delay stability by 10–20 ps over several days, albeit with some experimental challenges. The implementation of waveform scans required us to revisit the issue of target structure and intensity variation in satellite laser ranging.

Clinical Efficacy of Mechanical Micronized Fat-Assisted Fat Grafting on Temporal Depression.

Temporal concavities result from reduced subcutaneous fat and bone structure variations, impacting facial aesthetics. Filling treatments, including autologous fat grafts, synthetic fillers, and biological materials, are used for enhancement. Autologous fat grafting is promising but limited by unpredictable fat absorption and nonstandardized procedures. This study aims to assess the clinical effectiveness of mechanical micronized fat in combination with autologous granular fat grafting for lipofilling in the correction of temporal deformities. Patients (n = 37, mean age = 37.48) with temporal concavity caused by aging and Inherently inadequate capacity were enrolled and divided into control group (n = 10) and study group (n = 9) according to different fat grafts. Control group received pure autologous granular fat, with an average volume of approximately 19.30 mL. In contrast, the study group used mechanical micronized fat along with autologous granular fat co-injection through an 18G needle with an average injection volume of about 18.89 mL. All autologous fat collected from patients' abdominal and thighs. Information, including postoperative clinical efficacy scored by various plastic surgeons for the comparison of preoperative and postoperative photos of patients, patient satisfaction, and complications between the two groups, was documented. Additionally, changes in patients' quality of life were evaluated using the FACE-Q scale. Six months after surgery, the efficacy of temporal filling in the study group (6.69 ± 0.64) was higher than the control group (6.37 ± 0.67) (P = 0.0048). The patient satisfaction was more prominent in the study group (6.28 ± 0.87) than in the control group (5.80 ± 0.71) (P = 0.0449). Differences between above two observation indicators were statistically significant (P < 0.05). The FACE-Q scale items, which assess psychological health, social functioning, and early life impact, showed higher scores in the study group both before the surgery (psychological health: 59.22 ± 3.53, social functioning: 64.75 ± 3.15) and 6 months after the surgery (psychological health: 69.44 ± 4.50, social functioning: 75.33 ± 3.81, early life impact: 74.21 ± 0.70) (P > 0.05). Notably, only one micronodule formation was detected among all patients. Mechanical micronized fat combined with autologous granular fat improve the clinical effect of treating concavity in temporal region, which is worthy of further promotion and application.

Redefining Neural Architecture Search of Heterogeneous Multinetwork Models by Characterizing Variation Operators and Model Components.

With neural architecture search (NAS) methods gaining ground on manually designed deep neural networks-even more rapidly as model sophistication escalates-the research trend is shifting toward arranging different and often increasingly complex NAS spaces. In this conjuncture, delineating algorithms which can efficiently explore these search spaces can result in a significant improvement over currently used methods, which, in general, randomly select the structural variation operator, hoping for a performance gain. In this article, we investigate the effect of different variation operators in a complex domain, that of multinetwork heterogeneous neural models. These models have an extensive and complex search space of structures as they require multiple subnetworks within the general model in order to answer different output types. From that investigation, we extract a set of general guidelines whose application is not limited to that particular type of model and are useful to determine the direction in which an architecture optimization method could find the largest improvement. To deduce the set of guidelines, we characterize both the variation operators, according to their effect on the complexity and performance of the model; and the models, relying on diverse metrics which estimate the quality of the different parts composing it.

Unlocking the Secrets of Colored Glass: Structural-Optical Behaviors and Non-Linear Optical Properties of and Ions-doped Borates

Investigations of structural-optical properties were performed for -doped borate glass host based on a fixed ratio of ions, and within a lanthanum oxide concentration range of (0-8 mol%). The density was measured and confirmed the increase in bond density of the network, with increasing its volume. While infrared spectroscopy was carried out to investigate the dominant role of lanthanum on structural variations of glass, for example, the to conversion and the conspicuous decrease in NBO content. Optically, the d-d visible transitions of ions were suppressed by quenchers, preventing their peaking within the optical absorption spectra of glass samples. Further, in good coalescence with density and infrared spectroscopy results, Tauc gap energy increased with lanthanum oxide addition owing to the band structure modulations. Additionally, the metallization criterion changed from 0.262 (eV)0.5 to 0.325 (eV)0.5 , owing to the Tauc gap energy increment, indicating that the lanthanum addition causes a shift toward the semiconducting nature of the prepared samples. On the other hand, Urbach energy decreased with increasing lanthanum oxide content, manifesting the glass structure's propensity toward less disorder and high polymerization. Besides, the increase in electron-phonon interaction energy indicates a high possibility of phonon consumption to bind free electrons as pairs, mitigating the network disorder. Surprisingly, the non-linear optical properties of the glass matrix were enhanced through lanthanum oxide addition. For the current glass host activated by ions, including color centers, the correlation between these above-mentioned structural modifications, and optical findings provide a decent paradigm for the optics realm.

Dependence of Structure Variation, Pyrolysis, and Nonlinear Optical Dispersion on the Chemical Etching of Poly Allyl Diglycol Carbonate (PADC) Irradiated with $${\alpha}$$-Particles

Dependence of Structure Variation, Pyrolysis, and Nonlinear Optical Dispersion on the Chemical Etching of Poly Allyl Diglycol Carbonate (PADC) Irradiated with $${\alpha}$$-Particles

Late-Onset Slowly Progressing Cone/Macular Dystrophy in Patients With the Biallelic Hypomorphic Variant p.Arg1933Ter in RP1.

Homozygous hypomorphic variants of the RP1 gene, including c.5797C>T, p.Arg1933Ter, have traditionally been considered non-pathogenic. This study aimed to elucidate the clinical manifestations of late-onset, slowly progressive cone/macular dystrophy in patients homozygous for p.Arg1933Ter in the RP1 gene. Five patients with biallelic p.Arg1933Ter in RP1 were retrospectively recruited, and their clinical profiles were analyzed. Copy number variation analysis and Alu insertion assessment of genes associated with inherited retinal diseases were conducted. The results of comprehensive ophthalmological examinations, multimodal imaging, and full-field electroretinogram tests were analyzed. No specific sequencing errors or structural variations associated with the clinical phenotypes were identified. Alu element insertion in RP1 was not detected. The mean ± SD age at the first visit was 62.2 ± 9.8 years, with symptoms typically starting between 45 and 50 years of age. Two patients exhibited a mild form of cone/macular dystrophy, characterized by a relatively preserved fundus appearance and blurring of the ellipsoid zone on optical coherence tomography. Three patients had late-onset cone/macular dystrophy with significant atrophy. To our knowledge, this study is the first to report that a homozygous hypomorphic variant of RP1, previously considered non-pathogenic, leads to cone/macular dystrophy. The study introduces novel possibilities suggesting that the homozygous hypomorphic variant of RP1 may be linked to variant pathogenicity.

Effect of substituent position on assembly of compounds bearing ortho/para over meta directing groups

This research investigated the impact of substituent location on intermolecular interactions and crystal packing. A class of N-(dichlorophenyl)-2-pyrazincarboxamide derivatives were synthesized and characterized: 2,5-dichloro (2,5-diCl), 3,4-dichloro (3,4-diCl), and 2,4-dichloro (2,4-diCl). Comparison with their monochloro counterparts (2-chloro (2-Cl), 3-chloro (3-Cl), and 4-chloro (4-Cl)) revealed a distinct structural variation upon introducing a second chlorine substituent at the ortho/para positions of the phenyl ring. Conversely, incorporating a second chlorine atom at the meta position resulted in similar molecular packing. These findings suggest that ortho/para directing groups play a dominant role in dictating the crystal assemblies of the studied compounds.