Using density functional theory (DFT), the density of states of NH4V3O8 (NVO) was analyzed pre and post-oxygen defects (Od) formation. The findings revealed a reduced bandgap in NVO after Od introduction, emphasizing the role of Od in enhancing conductivity of the material, thus improving its electrochemical attributes. Through the water bath method, both NVO and its oxygen-deficient counterpart, (NH4)2V10O25⸱8H2O (NVOd), were synthesized as potential cathode materials for aqueous zinc-ion batteries (AZIBs). Experimental outcomes resonated with DFT predictions, highlighting the beneficial role of oxygen defects in boosting electrical conductivity. Notably, the refined material displayed a remarkable capacity of 479.3 mAh g-1 at 0.1 A g-1, underscoring its promise for advanced energy storage solutions.

This paper investigates reachable set estimation and state-feedback controller design for linear time-delay control system with bounded disturbances. First, by constructing an appropriate Lyapunov-Krasovskii functional, we obtained a delay-dependent condition, which determed the admissible bounding ellipsoid for the reachable set of the system we considered. Then, a sufficient condition in form of liner matrix inequalities is given to solve the problem of controller design with reachable set estimation. Finally, by minimizing the volume of the ellipsoid and solving the liner matrix inequality, we obtain the desired ellipsoid and controller gain. A comparative numerical example is given to verify the usefulness of our result.

Density functional theory (DFT) and coupled cluster theory (CCSD(T)) calculations are performed to investigate the geometric, electronic structures and chemical bonding of a series of Cu-doped zinc oxide clusters, CunZn3O3 (n = 1-4). The structural evolution of CunZn3O3 (n = 1-4) clusters are elaborated in our work. The planar seven-membered ring of CuZn3O3 cluster plays an important role in the structural evolution, that is, the Cu atom, Cu dimer (Cu2) and Cu trimer (Cu3) anchor on the CuZn3O3 cluster. The aggregate behavior of Cu atoms on Zn3O3 may offer insight into the study of Cu/ZnO-based catalysts. Additionally, it is found that the CunZn3O3 clusters become more stable as the Cu content (n) increases. Bader charge analysis points out that as the Cu atoms doping, the reducibility of Cu aggregation (Cun-1) on the CuZn3O3 cluster increases. Combined with the d-band centers and the surface electrostatic potential (ESP), the reactivity and the possible reaction sites of CunZn3O3 (n = 1-4) clusters are also illustrated.

Magnesium, as one of the most abundant cation in the human body, plays an important role in both physiological and pathological processes. In this study, it was shown that a promising biomedical material Mg-substituted hydroxyapatite (Mg-HA) can be synthesized via fast mechanochemical method. For this method, the nature of magnesium-contained carriers was shown to be important. When using magnesium oxide as a source of magnesium, the partial insertion of magnesium cations into the apatite structure occurs. In contrast, when magnesium hydroxide or monomagnesium phosphate is used, a single-phase Mg-HA is formed. Both experimental and theoretical investigations showed that an increase in the Mg content leads to a decrease in the lattice parameters and unit cell volume of Mg-HA. Density functional theory calculations showed the high sensitivity of the lattice parameters towards the crystallographic position of the calcium site substituted by magnesium. It was shown experimentally that insertion of magnesium cations decreases the thermal stability of the hydroxyapatite. The thermal decomposition of Mg-HA leads to the formation of a mixture of stoichiometric HA, magnesium oxide and Mg-substituted tricalcium phosphate phases.

In patients with prior Takotsubo syndrome (TTS), long lasting functional cardiac limitations were described as compared with normal subjects. Emotions-triggered Takotsubo syndrome (E-TTS) has more favorable outcomes than TTS preceded by a physical trigger or by no identifiable fac-tors. The aim of the present study was to assess long-term cardiac functional limitations in a co-hort of asymptomatic E-TTS patients. We enrolled n=39 asymptomatic patients with a diagnosis of E-TTS. Cardiopulmonary exercise tests (CPET) were performed at 30 [12-40] months median fol-low-up from the acute event. A cohort of n=39 individuals matched for age, sex, body mass index and comorbidities served as control. Despite recovery of left ventricular ejection fraction, patients with prior E-TTS had lower peak VO2 and percentage of predicted peak VO2 (17.8 ± 3.6 vs 22.5 ± 6.5; P < 0.001 and 75.2 ± 14.1 % vs 100.6 ± 17.1%, P <0.001), VO2 at anaerobic threshold (AT) (11.1 [10.1-12.9] vs 14.4 [12.5-18.7]; P <0.001), peak O2 pulse (9.7 ± 2.5 vs 13.1 ± 3.5; P <0.001) and higher VE/VCO2 slope (30.4 ± 3.7 vs 27.2 ± 3.5; P <0.001) compared with matched controls. We found no statistically significant differences in heart rate reserve (HRR), respiratory equivalent ratio (RER), mean blood pressure and peak PetCO2 between patients and controls. Despite its favorable out-come, patients with E-TTS in our population were found to have subclinical long-term functional cardiac limitations as compared with a control cohort.

Chicken collagen is a promising raw material source to produce gelatins and hydrolysates. Gelatins and hydrolysates can be prepared biotechnologically using proteolytic enzymes produced by submerged fermentation of genetically modified microorganisms. By choosing the appropriate process conditions, such changes can be achieved at the molecular level of collagen, making it possible to prepare products with targeted properties for advanced cosmetic, pharmaceutical, medical or food applications. The research aims to investigate: i) antioxidant activity (DPPH and ABTS) in model samples of chicken collagen products (gelatin and hydrolysates); ii) distribution of molecular weights by the GPC-RID analysis method; iii) functional groups and configuration of polypeptide chains related to molecular level properties using FTIR; iv) the microbiological properties on SDA, PCA, TSA and VRBL microbial populations using MALDI method. Antioxidant activity towards ABTS radicals of more than 80% was found for all samples. The molecular weights of all gelatin samples showed typical α- and β-chains. FTIR analysis confirmed that the samples showed all typical vibrational regions for collagen cleavage products, Amide A and B, Amide I, II, and III at characteristic values. Microbiological analysis of the prepared samples showed no undesirable bacteria that would limit advanced applications of the prepared products. Gelatins and hydrolysates from chicken stomachs represent a promising alternative to products made from standard collagen tissues of terrestrial animals.

Due to growing concerns about environmental pollution from plastic waste, plastic recycling research is gaining momentum. Traditional methods, such as incorporating inorganic particles, increasing cross-linking density with peroxides, and blending with silicone monomers, often improve mechanical properties but reduce flexibility for specific performance requirements. This study focuses on synthesizing silica nanoparticles with vinyl functional groups and evaluating their mechanical performance when used in recycled plastics. Silica precursors, namely sodium silicate, and vinyltrimethoxysilane (VTMS), combined with a surfactant, were employed to create pores, increasing silica's surface area. Early-stage introduction of vinyl functional groups prevented the typical post-synthesis reduction in surface area. Porous silica was produced in varying quantities of VTMS, and the synthesized porous silica nanomaterials were incorporated into recycled Polyethylene to induce cross-linking. Despite a decrease in surface area with increasing VTMS content, a significant surface area of 883 m2/g was achieved. In conclusion, porous silica with the right amount of vinyl content exhibited improved mechanical performance, including increased tensile strength, compared to conventional porous silica. This study shows that synthesized porous silica with integrated vinyl functional groups effectively enhances the performance of recycled plastics.

Studies in the field of experimental hypnosis highlighted the role of hypnotizability in the physiological variability of the general population. It is associated, in fact, with a few differences which are observable in the ordinary state of consciousness and in the absence of suggestions. The aim of the present scoping review is summarizing them, and indicate their relevance to the neural mechanisms of hypnosis and to the prognosis and treatment of a few medical conditions. Individuals with high, medium and low hypnotizability scores display different cerebral functional differences – i.e., functional equivalence between imagery and perception/action, excitability of the motor cortex, interoceptive accuracy - possibly related to brain structural and functional characteristics -, and different control of blood supply at peripheral and cerebral level, likely due to different availability of endothelial nitric oxide. These differences are reviewed to support the idea of their participation in hypnotic behaviour and to indicate their prognostic and therapeutic usefulness in a few medical conditions.

Functional neurological disorders (FND) are relatively frequent disabling conditions. Given their complexity, multidisciplinary rehabilitation is envisaged. Whole-body cryostimulation (WBC) represents a promising adjuvant treatment, mainly because of its anti-inflammatory and exercise-mimicking effects. Here, we propose a novel use of WBC in a wheelchair-ridden 61-year-old woman diagnosed with FND and other comorbidities, who, after several therapeutic and rehabilitation failures, underwent a multidisciplinary rehabilitation program including WBC. The 4-week program included physiotherapy, nutritional intervention, psychological support, and WBC. Questionnaires to assess disease impact, pain level, perceived fatigue and sleep quality were administered. At discharge, improvements in body composition, haematological biomarkers, physical performance, and questionnaire scores were observed. The patient was able to walk with a walker for medium distances, even outdoors. We observed unprecedented improvements, particularly in functional parameters and questionnaire scores. Although we cannot ascertain to which extent WBC per se contributed to the improvements measured, subjective reporting and our clinical observation were that WBC, the only intervention not previously experienced by the patient, acted as a booster for the rehabilitation interventions. Further research will be necessary to rule out any possible placebo effect and to assess the effects of WBC on FND.

Drought is one of the leading abiotic factors limiting morphological and physiological activities in blackberry cultivation. We investigated the effect of silver nanoparticles (AgNPs) on morphological and physiological processes in the boysenberry crop (Rubus ursinus Chamisso &amp; Schlenhtendal) under drought stress. The experiment was performed with three drought stress levels (0% PEG, 4% PEG and 8% PEG) and three AgNPs treatments (0, 0.1, 0.2 mg L−1) invitro conditions. The results showed that drought stress induced by PEG, reduced root and shoot development of boysenberry plants grown invitro. The addition of AgNPs is significantly alleviated the adverse effect of drought stress and increased the plant growth parameters. Antioxidant activity of SOD and CAT enzymes increased in boysenberry leaves when treated with AgNPs under drought conditions, while the amount of MDA decreased. Therefore, the results obtained in this study suggest that 0.1 mg L-1 AgNPs added to the medium improve the growth and development of invitro boysenberry plants under drought stress.

The objective of this investigation was to enhance the sensory appeal of Cerasus humilis (C. humilis) juice and ascertain potential interactions among bioactive compounds within a functional juice matrix. Sensory attributes, color, antioxidant potential, polyphenol and vitamin C (VC) concentrations, and sugar levels were assessed. Diverse dosage combinations were examined to determine their impact on the quality of both C. humilis and Green grape juices. Among the formulations, CG5 exhibited elevated antioxidant activit y and polyphenol content (455.02 mg TE/100 ml and 173.1 mg/100 ml, respectively), coupled with favorable consumer preference. Notable variations in compound content were observed across the seven analyzed juices. In the blended juices (CG1–CG5), interactions between distinct juices influenced VC and sugar levels, with other bioactives contributing to beneficial modifications, displaying a progressive rise. This study innovatively crafted delectable and convenient C. humilis juice, upholding its intrinsic high antioxidant activity, thereby presenting a novel avenue for marketable functional juice offerings.

The production of plants and crops is influenced by environmental stress, which is a serious scientific issue. Cotton is an essential crop for producing natural fibers that are used to make biofuel and edible oils. Salinity is the main element that influences cotton growth during the beginning of germination. The type of salt and the growth stage affects how sensitive a plant is to salt stress. Developing ways to enhance cotton performance in salty circumstances can be aided by an understanding of the response of cotton to salt, its mechanism of resistance, and its management methods. Osmotic and ionic imbalances originate due to the deposition of soluble salts under salinity stress in the plant's root zone. Soil salinity significantly reduces plant growth due to several factors, such as nutritional ion imbalance, which reduces K+, PO4-, and NO- absorption, excessive salt chloride concentrations, and osmotic stress, which hinders water availability. Research has revealed that compared to subsequent stages, the germination, emergence, and seedling phases are more vulnerable to salinity stress, which ultimately affects the seed cotton yield by delaying blooming, reducing fruiting positions, shedding fewer fruits, and reducing boll weight. The morphology, growth of cotton roots, shoots, yield, and fiber quality are all strongly impacted by salinity stress. It slows down plant feeding, cellular metabolism, and photosynthesis. The soil, water, and climate all affect how the plant responds to salinity stress. During salt stress, excessive exclusion of sodium or its compartmentalization is the key adaptation process in cotton. A major adaptive potential to create cotton types that can withstand salt is provided by the up-regulation of both physicochemical and non-enzymatic antioxidant genes. A successful strategy to increase cotton germination in saline soils is seed priming. Moreover, the transgenic strategy might be a viable choice for improving cotton yield in saline environments. Our review focuses on the impacts of salinity on cotton productivity as well as how plants react to salt stress. It also clarifies recent genetic advancements and molecular breeding for cotton's resistance to soil salt. To create salt-tolerant cultivars, a combination of traditional breeding and novel molecular approaches will be useful.

Olive oil, as the main source of polyphenols in the Mediterranean diet pattern, is mentioned to show remarkable postprandial bioactivity, contributing to the reduction of cardiometabolic risk factors. In recent years, the consumption of refined olive oil, instead of other olive oil classes, led to a reduced intake of polyphenols from the usual diet. This controlled, human nutritional intervention inves-tigated whether the enhancement of refined olive oil with orange peel extract may modulate postprandial lipemia, glycemia and oxidative stress, in individuals at cardiometabolic risk. In a cross-over framework, 21 participants aged 30-65 years, who met the eligibility criteria, received a fat and carbohydrated meal of mashed potatoes, homogenized with refined olive oil (50 mL) or the functional olive oil, enhanced with 10% orange peel extract, intervening a washout week. Blood draws were performed in fasting, 30min, 1.5h and 3h after the meal intake. Plasma lipids, glucose, uric acid and total plasma antioxidant capacity according to FRAP method, were measured at each timepoint. A significant reduction of LDL-cholesterol was observed, 1.5 h and 3 h after the func-tional meal intake, compared to non-significant changes after the control meal (p <0.05). No other statistically significant interactions were detected to the remaining biomarkers (p> 0.05). Further investigation is needed for safer conclusions about the postprandial modulation of cardiometabolic risk factors, by the functional olive oil, enhanced with orange peel extract.

In the research, we studied the typical functional plant traits and life forms of plants that colonize forest gaps. In the research, we analysed functional plant traits of plant species growing on five forest gaps in the Dinaric fir-beech forest in Slovenia. The forest gaps were created as a result of natural disturbances. We selected 18 functional plant traits, whose values were obtained from the BiolFlor database. With the help of the JUICE program, we calculated the frequency of its occurrence on individual forest gap for each functional plant trait. Then we calculated Sperman's correlation coefficient at p&lt;0.05, between the occurrence of individual functional plant traits and single forest gap. We found out that forest gaps are mainly colonized by perennials and herbaceous perennials and hamephytes. These are plant species that begin to flower in June and July, bloom for two or three months and are pollinated by insects, mainly hover flys and wild bees. Characteristic of colonizing plant species is also that, in addition to reproducing by seeds and spores, they also reproduce vegetatively. Besides that, birds and forest mammals are the vectors of fruit and seed dispersal of colonizing plant species.

To investigate the intricate dynamics of brain activity when interacting with a dynamic environment, it is imperative to continuously generate and update expectations regarding forthcoming events and their corresponding sensory and motor responses. This study aims to explore the interconnectivity in time perception across predictable and unpredictable conditions. The necessary data for this study were acquired from EEG signals, sourced from an existing database that involved an experiment conducted on a group of healthy participants. The individuals were subjected to two distinct conditions, predictable and unpredictable, encompassing various time delays. The functional connectivity between brain regions was estimated using a method known as the phase lag index. This method was employed to discern disparities in time perception between the two conditions. A comprehensive comparison of the two conditions across different delays demonstrated noteworthy variations, particularly in the gamma, beta, and theta frequency bands. The differences between delays were more pronounced in the predictable condition. Subsequently, an in-depth analysis was conducted to scrutinize the dissimilarities between the conditions within each delay. Notably, significant differences were observed across all delays. In the unpredictable condition, an increase in connectivity was detected within the alpha band during the 400-ms delay, specifically between occipital and temporal regions. Moreover, the mean connectivity in the unpredictable condition surpassed that of the predictable condition. In the delta band, distinct connectivity patterns were observed across different delays, involving connections between central and frontal regions. Specifically, a heightened connectivity between central and prefrontal regions was noted during the 83-ms delay. Notably, the right hemisphere of the prefrontal cortex played a vital role in time perception. Furthermore, a decline in connectivity across the delta, theta, and beta bands was observed in both conditions during the longest delay (800 ms) when compared to other delays

Coincident changes in abundance and behavior pose a challenge for interpreting abundance data from monitoring programs. In the San Francisco Estuary, long-term monitoring documented the declines of many species including the anadromous Longfin Smelt (Spirinchus thaleichthys). We identified seasonal patterns in reginal presence of Longfin Smelt through its life cycle using monitoring data and generalized additive modelling. We then investigated the year-to-year variability in the seasonal patterns of presence using functional data analysis (FDA). FDA separated the variability due to population size from variability due to differences in timing of presence. We found that Longfin Smelt have consistent seasonal distribution patterns and that two trawl types were needed to accurately describe those patterns. After accounting for variability due to year-class strength, shifts in the timing of presence were evident in three regions. The most variable period for the upstream regions Suisun Bay and West Delta was for age-0 fish in summer and for the downstream region Central Bay was for age-0 fish in late fall. This manifested as a delay in the typical fall re-occupation of upstream regions that comprise the study area for another monitoring study (Fall Midwater Trawl). Thus, a portion of the recent reductions in Fall Midwater Trawl abundance of Longfin Smelt resulted from changes in behavior rather than a decline in abundance. The presence of multiple monitoring surveys allowed analysis of distribution from one data set to aid interpretation of patterns in abundance from another monitoring survey. This study highlights how identifying portions of the life cycle with the most and least variability in distribution can help inform the types of management strategies that will be most effective. It also illustrates an analytical method that can be used to address the problem of confounded effects of abundance and behavior on patterns in monitoring data.

Cempo Ireng (Oryza sativa L. var. Cempo Ireng) is one of the black rice variety in Indonesia that consumed as functional food, not as a staple food because of the black rice contains anthocyanin pigment which has beneficial to human health. High concentration of anthocyanin reaching 393.93 ppm cause black color in the pericarp layer of Cempo Ireng which make this variety as an antioxidant source, low glycemic index, and free of gluten, leading to have higher price in the rice market. However, most of the farmers are not cultivate Cempo Ireng due to the longer vegetative phase up to 150 days compared to the white rice varieties which only takes 90 days, the taller phenotype of Cempo Ireng cause problems in cultivation, and also the purple color of Cempo Ireng attract birds and earhead bug (Leptocorisa oratorius) to feed on black rice caryopsis that cause severe yield loss. Transgenic methods, mutation technique, intensification systems, and physical treatment have been applied in Cempo Ireng to overcome those lack characteristics. In the future, Cempo Ireng also has a big potential to become a parent in cross breeding program because of the positive characters. The aim of this review is to describe the potential of Cempo Ireng in rice breeding program for improving food sustainability.

The hexaploid bread wheat Triticum aestivum L. (2n = 6x = 42) and the tetraploid durum wheat Triticum durum (2n = 4x = 28) are two commercially the most important wheat species worldwide. These two species are components of the same gene pool, which evolved under different conditions, which made it possible to acquire different adaptations to a wider range of environmental conditions. Identification and characterization of introgressed fragments of one species in the genome of another can help in the search for new loci responsible for economically valuable traits. SNP microarrays provide information on the genotypes of thousands of positions throughout the genome. This information can be used to obtain the distribution of alleles of one species in the genome of another and to determine the location of introgressed fragments. In our work, we used genotyping data from the SNP microarray to identify durum wheat chromosome fragments containing bread wheat alleles in the offspring from crossing bread and durum wheat. We have studied the distribution of the genetic material of bread wheat in 15 combinations from crosses of bread and durum wheat. Introgressed fragments of bread wheat into the durum wheat genome were identified on chromosomes 1A, 1B, 4A, 5B, 6B, and 7A. The introgressed fragments showed polymorphism in different breeding lines. A functional enrichment analysis of genes in the introgression fragments was performed, which showed the presence of statistically significant enrichment of genes responsible for various molecular functions, biological processes and cellular components. The obtained data can be used to identify new QTL of economically valuable traits for obtaining durum wheat varieties with improved agronomic traits.

Carbazole is one of the typical heterocyclic aromatic compounds (NSO-HETs) observed in pol-luted urban atmosphere, which has become a serious environmental concern. The most im-portant atmospheric loss process of carbazole is the reaction with OH radical. The present work investigated the mechanism of OH-initiated atmospheric oxidation degradation of carbazole by using density functional theory (DFT) calculations at the M06-2X/6-311++G(3df,2p)//M06-2X/6-311+G(d,p) level. The rate constants were determined by the Rice-Ramsperger-Kassel-Marcus (RRKM) theory. The lifetime of carbazole determined by OH was compared with other typical NSO-HETs. The theoretical results show that the degradation of carbazole initiated by OH radical includes four types of reactions: OH additions to “bend” C atoms, OH additions to “benzene ring” C atoms, H abstractions from C-H bonds and the H ab-straction from N-H bond. The OH addition to C1 atom and the H abstraction from N-H bond are energetically favorable. The main oxidation products are hydroxycarbazole, dialdehyde, carba-zolequinone, carbazole-ol, hydroxy-carbazole-one and hydroperoxyl-carbazole-one. The calcu-lated overall rate constant of carbazole oxidation by OH radical is 6.52 × 10−12 cm3 molecule−1 s−1 and the atmospheric lifetime is 43.92 h under the condition of 298 K and 1 atm. The lifetime of carbazole determined by OH radical is similar with that of dibenzothiophene oxidation but longer than those of pyrrole, indole, dibenzofuran and fluorene. This work provides a better understanding of the reactivity of carbazole in the atmospheric environment, the formation of secondary organic aerosols, and the chemical degradation and removal of carbazole in the at-mospheric environment.

Foot drop is a common disability in post-stroke patients and represents a challenge for the clinician. To date, Ankle Foot Orthosis (AFO) combined with conventional rehabilitation is the gold standard of rehabilitation management. AFO has a palliative mechanical action without actively restoring the associated neural function. Functional Electrical Stimulation (FES), consisting in stimulation of the peroneal nerve pathway, represents an alternative approach. By providing a FES device (Bioness L-300, BIONESS, USA) for 6 months to a post-stroke 22-year-old woman with a foot drop, our goal was to quantify its potential benefit on walking capacity. Gait parameters and the temporal evolution of the speed were collected with a specific connected sole device (Feet Me®) during the 10-meter walking, the Time Up and Go, and the 6-minute walking tests with AFO, FES or without any device (NO). As a result, the walking speed changes on 10-meters were clinically significant with an increase from baseline to 6 months in AFO and FES conditions (+0.14m-1 and +0.36m-1), without any changes in NO condition. In addition, speed decreased at about 4-minutes of the 6-minute walking test in NO and AFO conditions, while speed increased in FES conditions at baseline and after 1, 3 and 6 months. Monitoring gait speed in an endurance test after an ecological rehabilitation training program helps to examine walking performance in post-stroke patients and to propose a specific rehabilitation program depending on a fatigue threshold.

Deficiency of Cytochrome P450 Steroid 21-hydroxylase (CYP21A2) represents 90% of cases in congenital adrenal hyperplasia (CAH), an autosomal recessive disease caused by defects in cortisol biosynthesis. Computational prediction along with functional studies are often the only way to classify variants to understand the links to disease-causing effects. Here we investigated the pathogenicity of uncharacterized variants in the CYP21A2 gene reported in the Brazilian and Portuguese populations. Physicochemical alterations, residue conservation, and effect on protein structure were accessed by computational analysis. The enzymatic performance was obtained by functional assay with the wild-type and mutant CYP21A2 proteins expressed in HEK293 cells. Computational analysis showed that p.W202R, p.E352V, and p.R484L have severely impaired the protein structure, while p.P35L, p.L199P, and p.P433L have moderate effects. The p.W202R, p.E352V, p.P433L, and p.R484L variants showed residual 21OH activity consistent with the simple virilizing phenotype. The p.P35L and p.L199P variants showed partial 21OH efficiency associated with the non-classical phenotype. Additionally, p.W202R, p.E352V and p.R484L also modified the protein expression level. We have determined how the selected CYP21A2 gene mutations affect the 21OH activity through structural and activity alteration contributing to the future diagnosis and management of 21OH deficiency.

With a large number of annotated non-coding RNAs (ncRNAs), repetitive sequences are found to constitute functional components (termed as repetitive elements) in ncRNAs that perform specific biological functions. Bioinformatics analysis is a powerful tool for improving our understanding of the role of repetitive elements in ncRNAs. This chapter summarizes recent findings that reveal the role of repetitive elements in ncRNAs. Furthermore, relevant bioinformatics approaches are systematically reviewed, which promises to provide valuable resources for studying the functional impact of repetitive elements on ncRNAs.

Iberian holm oak meadows are savannah-like ecosystems that result from traditional silvo pastoral practices. However, such traditional uses are declining, driving changes in the typical tree – open grassland structure of these systems. Yet, there are no studies integrating the whole ecosystem — including the arboreal and the herbaceous layer — as drivers of greenhouse gas (GHG: CO2, CH4 and N2O) dynamics. Here we aim at integrating the influence of tree canopies and interactions among plant functional types (PFT: grasses, forbs, and legumes) of the herbaceous layer as GHG exchange drivers. For that purpose, we performed chamber based GHG surveys in plots dominated by representative canopy types of Iberian holm oak meadows, including Quercus species and Pinus pinea stands, the last a common tree plantation replacing traditional stands; and unravelled GHG drivers through a diversity interaction model approach. Our results show that the tree – open grassland structure especially drove CO2 and N2O fluxes, with higher emissions under the canopy than in the open grassland. Emissions under P. pinea canopies being higher than those under Quercus species. In addition, the inclusion of diversity and compositional terms of the herbaceous layer improve the explained variability, legumes enhancing CO2 uptake and N2O emissions. Changes in the tree cover and tree species composition, in combination with changes in the structure and composition of the herbaceous layer, will imply deep changes in the GHG exchange of Iberian holm oak meadows. These results may provide some guidelines to perform better management strategies of this vast but vulnerable ecosystem.

Efforts to quantify and reduce greenhouse gas (GHG) emissions of the built environment often neglect embodied emissions, instead focusing on reducing emissions from building operations. Utilizing sustainably sourced mass timber offers low embodied carbon alternatives to traditional concrete and steel structural systems, however the variability in embodied carbon for different mass timber approaches remains understudied. In this study, we used life cycle assessment (LCA) to compare the whole building embodied carbon of nine mass timber design options and two typical concrete and steel reference cases for an eight-story mixed-use building, ensuring structural, acoustic, thermal, programmatic, and fire-rating equivalence between the designs. The study found that the mass timber designs vary significantly, ranging between a 14-52% reduction in whole building embodied carbon from the most impactful reference case, and a 31-73% reduction when considering the structural systems alone. This study demonstrates the value that whole building LCA (WBLCA) provides as a primary driver for low-carbon structural system design and architectural development of mass timber buildings, beyond that of single material comparisons using environmental product declarations (EPDs).

In recent years, the biomimetic potential of lignified or partially lignified fruit pericarps has moved into focus. For the transfer of functional principles into biomimetic applications, a profound understanding of the structural composition of the role models is important. The aim of this study was to qualitatively analyse and visualize the functional morphology of the coconut endocarp on several hierarchical levels, and to use these findings for a more precise evaluation of the toughening mechanisms in the endocarp. Eight hierarchical levels of the ripe coconut fruit were identified using different imaging techniques, including light and scanning electron microscopy as well as micro-computer-tomography. These range from the organ level of the fruit (H0) to the molecular composition (H7) of the endocarp components. A special focus was laid on the hierarchical levels of the endocarp (H3-H6). This investigation confirmed that all hierarchical levels influence the crack development in different ways and thus contribute to the pronounced fracture toughness of the coconut endocarp. By providing relevant morphological parameters at each hierarchical level with the associated toughening mechanisms, this lays the basis for transferring those properties into biomimetic technical applications.

On October 18, 2017, Chinese President Xi Jinping presented the blueprint for building a modernized socialist nation through the realization of the Xiao Kang (Every nation enjoys a peaceful and affluent life, it is meaningless to eliminate the poor) social construction at the 19th Congress of China. Subsequent to the 2008 financial crisis, the world has moved on to the new economic status of the New Normal. China has also entered the era of “Xinchang Thai,” which is moving from the high-growth to the moderate-growth phase. Therefore, the government of China emphasizes privatization, liberalization, and deregulation. China is also influenced by government policies due to the nature of socialism. This study confirms China’s current stage of economic development based on Barro’s theory. Thus, we use a quantile regression model and examine the correlation between economic growth and functional classification of government expenditure during Xi Jinping's term of office. Furthermore, we selected Korea as a comparative country as the two countries have common features.

Synthesis and characterization of anhydrous LiZn(IO₃)₃ powders prepared from an aqueous solution are reported. Morphological and compositional analyses were carried out by scanning electron microscopy and energy dispersive X-ray measurements. The synthesized powders exhibit a needle-like morphology after annealing at 400°C. A crystal structure for the synthesized compound has been proposed from powder X-ray diffraction and density-functional theory calculations. Rietveld refinements led to a monoclinic structure, which can be described with space group P21, number 4, and unit-cell parameters a = 21.874(9) Å, b = 5.171(2) Å, c = 5.433(2) Å, and beta = 120.93(4)º. Density-functional theory calculations supported the same crystal structure. Infrared spectra were also collected and the vibrations associated to the different modes discussed. The non-centrosymmetric space group determined for this new polymorph of LiZn(IO₃)₃, the characteristics of its infrared absorption spectrum, and the observed second harmonic generation suggest a promising infrared non-linear optical material.

Studies in the area of cross-linguistic influence (CLI) have attracted the focus of multi-linguistic learners. However, little research on CLI deals with Asian learners, particularly Chinese-speaker with knowledge of two or more foreign languages. The present study explores CLI in L1 Chinese learners with both English (L2) and Spanish (L3) as foreign languages who are studying in Madrid, a Spanish-speaking community; their studies coincided with data collection. English learners were instructed to speak for analysis purposes, with the following aims: (i) to observe the most frequent category (functional transfer, code-switching, borrowing and coinage) in the CLI instances; (ii) to determine the source language of CLI; (iii) to investigate whether CLI factors, including language distance, L2 status, proficiency and recency of use, intervene in the appearance of CLI instances in the participants. Data was gathered from 16 female Chinese students at Complutense University of Madrid (UCM). These were master students aged 22 to 26, who visited Spain for more than 5 months when they participated in the present study. The instrument used was an English semi-structured interview. Results primarily reveal that (a) borrowing is the most prevalent category, accounting for 70% of the CLI instances; (b) Spanish is the main source language of CLI while Chinese plays a functional role in the transfer process; (c) language distance proves to be the strongest predictor of CLI.

This article reports the two-step synthesis of NiFeO_x nanomaterials, their characterisation and bifunctional electrocatalytic activity measurements in alkaline electrolyte for metal-air batteries. The samples were mostly in layered double hydroxide at the initial temperature, but upon heat treatment, they were converted to NiFe₂O₄ phases. The electrochemical behaviour of the different samples was studied by linear sweep voltammetry and cyclic voltammetry on the glassy carbon electrode. The OER catalyst activity was observed for low mass loadings (0.125 mg cm⁻²), whereas high catalyst loading exhibited the best performance on the ORR side. The sample heat treated at 250 °C delivered the highest bi-functional oxygen evolution and reduction reaction activity (OER/ORR) thanks to its thin-holey nanosheet like structure with higher nickel oxidation state at 250 °C. This work further helps to develop low-cost electrocatalyst development for metal-air batteries.

In this study we introduce the new classes $\mathcal{M}_{\alpha}(\sin)$ and $\mathcal{M}_{\alpha}(\cos)$ of $\alpha$-convex functions associated with sine and cosine functions. Also, we obtain the initial coefficient bounds for the first five coefficients of the functions that belong to these classes. Further, we determine the upper bound of Zalcman functional for the class $\mathcal{M}_{\alpha}(\cos)$ for the case $n=3$, showing that the Zalcman conjecture holds for this value. Moreover, the problem of the Fekete-Szeg\H{o} functional estimate for these classes is studied.

Fermented foods and ingredients, including fermentates derived from lactic acid bacteria (LAB) in dairy products, can modulate the immune system. Here we describe the use of reconstituted skimmed milk powder to generate novel fermentates from Lactobacillus helveticus strains SC232, SC234, SC212, and SC210, and from Lacticaseibacillus casei strains SC209 and SC229, and demonstrate using in vitro assays that these fermentates can differentially modulate cytokine secretion by bone marrow derived dendritic cells (BMDCs) when activated with either the viral ligand, loxoribine, or an inflammatory stimulus, lipopolysaccharide. Specifically, we demonstrate that SC232 and SC234 increase cytokines IL-6, TNF-α, IL-12p40, IL-23, IL-27 and IL-10, and decreased IL-1β in primary bone marrow derived dendritic cell (BMDCs) stimulated with a viral ligand. In contrast exposure of these cells to SC212 and SC210 resulted in increased IL-10, IL-1β, IL-23, and decreased IL-12p40 following activation of the cells with the inflammatory stimulus LPS. Interestingly SC209 and SC229 had little or no effect on cytokine secretion by BMDCs. Overall, our data demonstrates that these novel fermentates have specific effects and can differentially enhance key immune mechanisms that are critical to viral immune responses, or can suppress responses involved in chronic inflammatory conditions, such as Ulcerative Colitis (UC), and Crohn’s disease (CD).

In this paper, we study the constrained minimization problem for an energy functional which is related to the following Kirchhoff type equation \begin{equation*} -\Big(\eta+b\big(\int_{\R^{3}}|\nabla u|^{2}dx\big)^{s}\Big)\Delta u+V(x)u=\mu u +\lambda|u|^{p}u,\end{equation*} where $b$ is a positive constant, parameters $\eta\geq0, \lambda>0$, exponents $s>0$, $0

Transcutaneous nerve stimulation has several neuromodulatory applications, including pain management, sensory restoration, and motor recovery. Transcutaneous stimulation delivered via electrode arrays offers ease of use and reconfigurability through non-invasive means. Also, employing electrode arrays allows regulation of the permeated electric fields for greater control over the stimulation performance. Field shaping involves the regulation of permeated electric fields and is a well-established practice for deep brain stimulation; however, its applicability to peripheral nerve stimulation still needs exploration. Adopting such techniques can help to overcome current limitations with transcutaneous stimulation, like poor targetability, early onset of fatigue, and perceived discomfort. This article provides a perspective on the applicability of field-shaping techniques in improving the overall stimulation outcome.

Phytoplankton guilds are commonly characterised by dominance effects, while the main contribution to biological diversity is given by rare species. Here, we analysed the influence of rare species on taxonomic and functional diversity, described by taxa richness and composition, cell size and size abundance relationships in phytoplankton guilds. We explore these relationships at global and regional scales by analysing phytoplankton guilds from five biogeographical regions: Northern Atlantic Ocean (Scotland), South-Western Atlantic Ocean (Brazil), South-Western Pacific Ocean (Australia), Indo-Pacific Ocean (Maldives) and Mediterranean Sea (Greece and Turkey). We have comparatively analysed the phytoplankton taxonomic diversity of the whole dataset and with the datasets obtained by progressively subtracting taxa occurring in the last 1%, 5%, 10% and 25% of both numerical abundance and overall biomass. Globally 306 taxa were identified across five ecoregions with only 27 taxa accounting for the 75% of overall numerical abundance and biomass; almost the 50% of taxa were lost on every step. The removal of 1% most rare taxa significantly affected the phytoplankton size-abundance relationships and body-size structure, strongly impacting on small taxa. The progressive removal of additional rare taxa did not further affect phytoplankton size-abundance relationships and size structure.

In recent decades, given the important role of gamma-aminobutyric acid (GABA) in human health, scientists have paid great attention to the enrichment of this chemical compound in food using various methods, including microbial fermentation. Moreover, GABA or GABA-rich products have been successfully commercialized as food additives or functional dietary supplements. Several microorganisms can produce GABA, including bacteria, fungi, and yeasts. Among GABA-producing bacteria, lactic acid bacteria (LAB) are commonly used in the production of many fermented foods. Lactiplantibacillus plantarum (previously Lactobacillus plantarum) has a long history of natural occurrence and safe use in a variety of food products. This LAB species provides functional properties to various fermented foods by producing a variety of bioactive compounds, including GABA. The present review aims, after a preliminary excursus on the function and biosynthesis of GABA, to provide an overview on the current uses of microorganisms and in particular of L. plantarum in the production of GABA, with a detailed focus on fermented foods.

This study assessed the impact of mineral fertilization on tuber yield and food quality of yam genotypes, specifically Dioscorea alata and Dioscorea rotundata. Four genotypes, each from D. alata and D. rotundata, were used in field experiments conducted in Ibadan, Nigeria, in the 2017 and 2018 cropping seasons. Experiments were conducted under low soil NPK fertility conditions with and without fertiliser treatments. A recommended NPK rate for the area (90, 50, and 75 Kg N, P, K ha-1) was applied to plots with fertiliser treatment. Tuber yield, functional and pasting properties of yam flour, and sensory attributes of pounded yams were collected. The results showed differential responses of the genotypes to tuber yield and food quality with fertiliser application. Fertiliser application has generally increased fresh tuber yield, but it has affected some genotypes' flour quality and textural attributes of the pounded yams. As regards genotypes Danacha and TDa0200012, fertiliser application has increased tuber yield without causing a decrease in tuber quality hence, suggesting Danacha and TDa0200012 as suitable genotypes for maximizing fertiliser productivity. However, in another genotype Ojuiyawo, fertiliser application effectively increased tuber yield but deteriorated tuber quality. Our results suggested that it is crucial to determine the impact of fertilisation on tuber yield and quality for each genotype and select the appropriate genotype to improve productivity through mineral fertilisation. The results of this study can be widely applied to enhance yam productivity in sub-Saharan Africa and useful for sustainable agriculture in yam-growing areas.

Given its exceptional attributes, aerogel is viewed as a material with immense potential. Being a natural polymer, cellulose offers the advantage of being both replenishable and capable of breaking down naturally. Cellulose-derived aerogels encompass the replenish ability, biocompatible nature, and ability to degrade naturally inherent in cellulose, along with additional benefits like minimal weight, extensive porousness, and expansive specific surface area. Even with increasing appreciation and acceptance, the undiscovered possibilities of aerogels within the textile sphere continue to be predominantly uninvestigated. In this context, we outline the latest advancements in the study of cellulose aerogel formulation and their diverse impacts on textile formations. Drawing from the latest studies, we reviewed the materials used for the creation of various kinds of cellulose-focused aerogels and their properties, analytical techniques, and multiple functionalities in relation to textiles. This comprehensive analysis extensively covers the diverse strategies employed to enhance the multi-functionality of cellulose-based aerogels in the textile industry. Additionally, we focused on the global market size of bio-derivative aerogels, companies in the industry producing goods, and prospects moving forward.

Diabetes mellitus is a chronic disease, commonly associated with unhealthy habits and obesity, and it is becoming a serious health issue worldwide. As a result, new approaches to treat diabetes are required, and a movement towards more natural ones is emerging. Consuming fruit and vegetables is advised to prevent diabetes since they contain several bioactive compounds. A simple and ef-fective strategy to include them in the diets of diabetic and obese people is through beverages. This review aimed to report the anti-diabetic potential of different vegetable and fruit beverages. These functional beverages demonstrated in vitro potential to inhibit α-glucosidase and α-amylase en-zymes, and to improve glucose uptake. In vivo, the beverage consumption showed a reduction of blood glucose, increase of insulin tolerance, improvement of lipid profile, control of obesity, and reduction of oxidative stress. This suggests the potential of vegetable and fruit-based functional beverages to be a natural innovative therapy for the management of diabetes.

Myalgic Encephalomyelitis / Chronic Fatigue Syndrome (ME/CFS) is an acquired disease with significant morbidity that affects both children and adults. Effective tools to assess functional capacity (FC) are severely lacking which has significant consequences for timely diagnosis, assessments for patient disability benefits and assessing the impact and effectiveness of interventions. In interventional research the inability to assess FC can result in an incomplete assessment of the potential effect of the intervention. Specifically of concern is that if an intervention is effective in reducing symptom load, patients may increase their activity level to reach a pre-intervention symptom load. Thus, if FC is not accurately assessed, beneficial treatment outcomes may be missed. To address this issue, using extensive, repeated patient feedback we have developed a new questionnaire, FUNCAP, to achieve optimal FC assessment in ME/CFS patients. The questionnaire covers eight domains and activity types: A. Personal hygiene / basic functions, B. Walking / movement, C. Being upright, D. Activities in the home, E. Communication, F. Activities outside the home, G. Reactions to light and sound, and H. Concentration. Through five rounds of anonymous web-based surveys and a further test - retest validation round, two versions of the questionnaire were developed; a longer version comprising 55 questions (FUNCAP55) to improve diagnostic and disability benefit/ insurance FC assessments and a shorter version (FUNCAP27) for interventional research and less extensive FC assessments. FUNCAP may also be useful in other conditions where fatigue and PEM is present, such as Long Covid.

In this study, we created a series of N, S, and P-doped and co-doped carbon catalysts using a single graphene nanoribbon (GNR) matrix and thoroughly evaluated the impact of doping on ORR activity and selectivity in acidic, neutral, and alkaline conditions. The results obtained showed no significant changes in the GNR structure after the doping process, though changes were observed in the surface chemistry in view of the heteroatom insertion and oxygen depletion. Of all the dopants investigated, nitrogen (mainly in the form of pyrrolic-N and graphitic-N) was the most easily inserted and detected in the carbon matrix. The electrochemical analyses conducted showed that doping impacted the performance of the catalyst in ORR through changes in the chemical composition of the catalyst, as well as in the double-layer capacitance and electrochemically accessible surface area. In terms of selectivity, GNR doped with phosphorus and sulfur favored the 2e- ORR pathway, while nitrogen favored the 4e- ORR pathway. These findings can provide useful insights into the design of more efficient and versatile catalytic materials for ORR in different electrolyte solutions, based on functionalized carbon.

The paper proves a theorem about the structure of the distribution function on which the extremum of fractionally linear functional is reached in the presence of an uncountable number of linear constraints. The problem of finding an extremal distribution function arises when determining the optimal control strategy in a class of Markov homogeneous randomized control strategies. The structure of extremal functions is described by a finite number of parameters, hence the problem is greatly simplified since it is reduced to the search for an extremum of some function.

Starch is widely applied in various industrial sectors, including the food industry. Starch is used as a thickener, stabilizer, or emulsifier. However, arrowroot starch generally has weaknesses, such as unstable under heating and acidic conditions, which are generally applied to processing in the food industry. Modifications were applied to improve the characteristics of native arrowroot starch. In this study, arrowroot starch was modified by heat-moisture treatment (HMT), octenylsuccinylation (OSA), and dual modification between OSA and HMT in a different sequence, namely HMT followed by OSA, and OSA followed by HMT. This study aims to determine the effect of different modification methods on the physicochemical and functional properties of native arrowroot starch. The result shows that both single HMT and dual modification caused damage to native starch granules, such as the formation of cracks and roughness. Especially for single OSA treatment, there is no significant change in granule morphology after modification. All modification treatments did not change the crystalline type of starch but reduced the RC of native starch. Both single HMT and dual modifications (HMT-OSA, OSA-HMT) increased pasting temperature and setback, conversely decreasing the peak and breakdown viscosity of native starch. Whereas, single OSA has the opposite trend compared with the other modifications. HMT played a greater role in increasing the thermal stability and retrogradation ability of arrowroot starch. Both single modifications (HMT and OSA) increase the hardness and gumminess of native starch, conversely for dual modifications. HMT has a greater effect on color characteristics, where decreased the lightness and whiteness index of native arrowroot starch. Single OSA modification increased swelling volume higher than dual modification. Both single HMT and dual modifications increase water absorption capacity and decrease the oil absorption capacity of native arrowroot starch.

Background: Arm elevation plays an important role in simple and complex daily tasks. Muscles that stabilize the shoulder girdle also function as respiratory accessory muscles. Dual demand on these muscles, particularly in patients with chronic respiratory conditions, leads to dyspnea and fatigue of the upper limb, making simple daily activities difficult. Various tests, including Grocery Shelving Task (GST), are designed to assess functional performance during upper limb activities. The aim of the study is to derive reference values for GST among the population of the United Arab Emirates Methods: This cross-sectional study was conducted with 220 healthy individuals of both genders between the ages of 20 and 69. Duration required to complete GST was recorded. The correlation between duration and age, height, body mass and body mass index (BMI) were also assessed. Results: Reference values for duration (in seconds) in females for age groups 20-29, 30-39, 40-49, 50-59 and 60-69 are 43.5±5.5, 43.1±8.08, 48.1±6.7, 44.9±7.1, 46.7±6.5 respectively. Values for males of age groups 20-29, 30-39, 40-49, 50-59 and 60-69 are 45.7±6.7, 44.8±8.9, 42.5±10.01, 53.4±4.2, and 53.9±5.4 respectively. Conclusion: Reference values for GST duration were obtained. Weak correlations were found between duration and age, height, body mass, BMI of the participants.

To create normative scores for all CrossFit® Open (CFO) workouts and compare male and female performances, official scores were collected from the official competition leaderboard for all competitors of the 2011-2022 CFO competitions. Percentiles were calculated in athletes (18 – 54 years) who completed all workouts within a single year ‘as prescribed’ and met minimum scoring thresholds. Independent t-tests revealed significant (p &lt; 0.05) sex differences for 56 of 60 workouts. In workouts scored by repetitions completed, men completed more repetitions in 18 workouts by small-to-large differences (d = 0.22-0.81), whereas women completed more repetitions in 6 workouts by small-to-medium differences (d = 0.36-0.77). When workouts were scored by time-to-completion, men were faster in 10 workouts by small-to-large differences (d = 0.23-1.12), while women were faster in three workouts by small differences (d = 0.46). In three workouts scored by load lifted, men lifted more weight by large differences (d = 2.00-2.98). All other differences were either trivial or not significant. Despite adjusted programming for men and women, the persistence of performances differences across all CFO workouts suggest resultant challenges are not the same. These normative values may be useful to training and research in male and female CrossFit® athletes.

Electronic structure calculations have been carried out to examine the effect of protonation and water molecules on the heme group of peroxidases in different redox (ferric, ferrous, compounds I and II) and spin states. Shared geometries, spectroscopic properties at Soret region, and thermodynamics of peroxidases are discussed. B3LYP and M06-2X density functionals with different basis sets were employed on a common molecular model of the active site (Fe-centred porphine and proximal imidazole). Computed Gibbs free energies indicate that the corresponding aquo complexes are not thermodynamically stable, supporting the five-coordinate Fe(III) centre in native ferric peroxidases, with a water molecule located at a non-bonding distance. Protonation of the ferryl oxygen of compound II is discussed in terms of thermodynamics, Fe–O bond distances, and redox properties. It is demonstrated that this protonation is necessary to account for the experimental data and computed Gibbs free energies that reveal pKa values of compound II about 8.5 – 9.0. Computation suggests that the origin of the general oxidative properties of peroxidase species, as well as their reactivity towards water and protons and Soret spectral properties, mostly resides on the iron porphyrin and its proximal ligand histidine.

In this paper we prove that if the product $X^{n}$ of a space $X$ has some tightness-type properties, then the space of permutation degree ${\sf SP^{n}}X$ also has these properties. It is proved that the set tightness (resp. $T$-tightness) of the space of permutation degree ${\sf SP^{n}}X$ is equal to the set tightness (resp. $T$-tightness) of the product $X^{n}$.

Background: Physical activity has been considered as a promising approach to slow down the disease process in Multiple Sclerosis (MS) patients. While the functional impairments of MS have been studied in detail, but there is limited evidence of the efficacy of exercise interventions on the Multiple Sclerosis functional composite (MSFC) score in these patients. The study aim was to in-vestigate the improvement in MSFC score by multi-function swing suspension training (MFSST) in the women with MS. Methods: The patients were divided into the intervention and control groups. A total of 47 MS patients completed the MSFC components at baseline and after the intervention. Z scores were created for each test based on control means. Results: The MSFC components showed a significant increment in comparison with the baseline levels in the four, six, and eight weeks following the first exercise session (all p<0.05). These dif-ferences in the control group were not significant. The improvement in the MSFC score and the component Z-scores in the intervention groups was found from the fourth week onwards. Conclusions: The study findings highlight that MFSST can be used as an effective treatment method in MS patients due to its positive effects on physical parameters, such as muscles strength, functional impairments, and cognitive problems.

AbstractIn the evolving modern era of neuromodulation for movement disorders in adults and children, much progress has been made recently characterizing the human motor network (MN) with potentially important treatment implications. Herein is a focused review of relevant resting state fMRI functional and effective connectivity of the human motor network across the lifespan in health and disease. The goal is to examine how the transition from static functional to dynamic effective connectivity may be especially informative of network-targeted movement disorder therapies, with hopeful implications for children.Impact StatementWhile functional connectivity has elucidated much MN properties with relation to age, disease, and behavior, effective connectivity has been shown to be useful in MN-informed therapies in adults. Thus, effective connectivity may have potential to impact childhood movement disorder therapies, given the lower to no patient demand.

Description of redox reactions is critically important for understanding and rational design of materials for electrochemical technologies including metal-ion batteries, catalytic surfaces, or redox-flow cells. Most of these technologies utilize redox-active transition metal compounds due to their rich chemistry and their beneficial physical and chemical properties for these types of applications. A century since its introduction, the concept of formal oxidation states (FOS) is still widely used for rationalization of the mechanisms of redox reactions, but there exists a well-documented discrepancy between FOS and the electron density-derived charge states of transition metal ions in their bulk and molecular compounds. We summarize our findings and those of others which suggest that density-driven descriptors are in certain cases better suited to characterize the mechanism of redox reactions, especially when anion redox is involved, which is the blind spot of the FOS ansatz.

Axial spondyloarthritis (axSpA) is a chronic rheumatic disease characterised by the presence of inflammatory back pain. In patients with chronic low back pain, the lumbar flexion relaxation phenomenon measured by surface electromiography (sEMG) differs from that in healthy individuals. However, sEMG activity in axSpA patients has not been studied. The purpose of this study was to analyse the flexion relaxation phenomenon in axSpA patients. A study evaluating 39 axSpA patients and 35 healthy controls was conducted. sEMG activity at the erector spinae muscles was measured during lumbar full flexion movements. sEMG activity was compared between axSpA patients and the controls, as well as between active (BASDAI≥4) and non-active (BASDAI<4) patients. The reliability (using intraclass correlation coefficients (ICC)), criterion validity and discriminant validity using the area Under the curve (AUC) for the inverse flexion/relaxation ratio (1/FRR) were evaluated. Significant differences (p<0.05) were observed between axSpA patients and the control group in lumbar electric activity, especially during flexion, relaxation and extension and in FRR and 1/FRR (0.66±0.39 vs. 0.25±0.19, respectively). In addition, significant differences were found between active and non-active but also between non-active and healthy subjects. The sEMG showed good reliability (ICC>0.8 for 1/FRR) and criterion validity. ROC analysis showed good discriminant validity for axSpA patients (AUC=0.835) vs. the control group using 1/FRR. An abnormal flexion/relaxation phenomenon exists in axSpA patients compared with controls. sEMG could be an additional objective tool in the evaluation of patient function and disease activity status.

While appropriate nutrient intake is important for older adults, various oral problems cause de-creased masticatory function. This cross-sectional study aimed to identify the factors associated with decreased masticatory performance in older adults. Oral examinations were performed on 80 participants (mean age: 75.10 ± 5.64 years) to determine the number of functional tooth units (FTUs). Symptoms of periodontal and temporomandibular diseases were evaluated via a ques-tionnaire. The tone, elasticity, and dynamic stiffness of the masseter muscle were measured using the Myoton® PRO device. The mixing ability test was used to assess the masticatory performance and the mixing ability index (MAI) was calculated. The analysis of covariance test was performed to adjust for confounding factors and multiple logistic regression analysis was performed to identify the risk factors affecting MAI. A lower MAI was significantly associated with higher tone (p = 0.006) and lower elasticity (p = 0.013). The number of FTUs (adjusted odds ratio [OR] = 0.724, p = 0.029), tone (adjusted OR = 1.215, p = 0.016), and elasticity (adjusted OR = 4.789, p = 0.038) were independently associated with the MAI. Muscle function training and prosthetic treatments may help increase masticatory performance in older adults, which will improve overall health.

Given a quasi-definite linear functional u in the linear space of polynomials with complex coefficients let us consider the corresponding sequence of monic orthogonal polynomials (SMOP in short) (Pn)n≥0. For the Christoffel transformation u˜=(x−c)u with SMOP (P˜n)n≥0, we are interested to study the relation between u˜ and u(1)˜, where u(1) is the linear functional for the associated orthogonal polynomials of the first kind (Pn(1))n≥0 and u(1)˜=(x−c)u(1) is its Christoffel transformation. This problem is also studied for the Geronimus transformations.

SARS-CoV-2 is mutating and creating divergent variants across the world. An in-depth investigation of the amino acid substitution in the genomic signature of SARS-CoV-2 proteins is highly essential for understanding its host adaptation and infection biology. A total of 9587 SARS-CoV-2 structural protein sequences collected from 49 different countries are used to characterize protein-wise variants, substitution pattern (type and location), and major substitution changes. The majority of the substitutions are distinct, occurred mostly in a particular location, and leads to a change in amino acid's biochemical properties. In terms of mutational changes, Envelope (E) and Membrane (M) proteins are relatively stable than Nucleocapsid (N) and Spike (S) proteins. Several co-occurrence substitutions are observed, particularly in S and N proteins. Substitution specific to active sub-domains reveals that Heptapeptide Repeat, Fusion peptides, Transmembrane in S protein, and N-terminal and C-terminal domains in N protein are remarkably mutated, and also found few deleterious mutations in these domains.

A concise proof of the Riemann Hypothesis is presented by clarifying the Hadamard product expansion over the zeta zeros, demonstrating that the Riemann Hypothesis is true.

Incidence of autoimmune diseases increases. Antinuclear antibodies (ANA) testing is a critical tool for their diagnosis. However, ANA prevalence in health increased over last decades, especially among young people. ANA in health occur in low concentrations, with prevalence up to 50% in some populations, which demands a cutoff revision. The review deals with origin and probable physiological or compensatory function of ANA in health, according to the concept of immunological clearance, theory of autoimmune regulation of cell functions and the concept of functional autoantibodies. Considering ANA titers ≤1:320 as a serological marker of autoimmune diseases seems inappropriate. The role of anti-DFS70/LEDGFp75 autoantibodies is highlighted as possible anti-risk biomarker for autoimmune rheumatic disorders. ANA prevalence in health is different in various regions due to several underlying causes discussed in the review, all influencing in additive combinations according to the concept of the mosaic of autoimmunity. Not only titer, but the HEp-2 IFA staining patterns, like AC-2, is also important. Accepting autoantibodies as a kind of bioregulators, not only upper, but also lower borders of their normal range should be determined. Not only their excess, but also lack of them or “autoimmunodeficiency” could be a reason of disorders.

In this paper, we have numerically investigated a metasurface based perfect absorber design established on the impedance matching phenomena. The paper comprises of two parts. In the first part, the device performance of the perfect absorber is studied which is composed of a silicon Nano-cylindrical meta-atoms periodically arranged on the thin gold layer. The device design is unique which works for both x-oriented and y-oriented polarized light, besides independent of the angle of incidence. In the second part of the paper, CO2 gas sensing application is explored by depositing a thin layer of functional host material polyhexamethylene biguanide polymer on the metasurface. The refractive index of the host material decreases due to the absorption of the CO2 gas. As a result, the resonance wavelength of the perfect absorber performs a prominent blueshift. With the help of the proposed sensor design based on metasurface, the CO2 gas concentration range of 0-524 ppm is detected. The maximum sensitivity of ~17.3 pm/ppm is acquired for the gas concentration of 434 ppm. The study presented in this work explores the opportunity of utilizing metasurface perfect absorber for gas sensing applications by employing the functional host materials.

Slot-die coatings are advantageous when used for coating large-area flexible devices; in particular, the coating width can be controlled, and simultaneous multi-layer coatings can be processed. Till date, the effects of ink widening and coating gap on the coating thickness have only been considered in a few studies. To this end, we developed two mathematical models to accurately estimate the coating width and thickness considering these two effects. We used root mean square deviation (RMSD) to experimentally verify the developed method. The coating width was seen to increase and the coating thickness was seen to decrease when the coating gap was increased. Experimental results showed that the estimation performances of the coating width and thickness models were as high as 98.46 % and 95.8 %, respectively. We believe that the developed models can be useful for determining the coating conditions according to the ink properties to coat a functional layer with user-defined widths and thicknesses in both lab- and industrial-scale roll-to-roll slot-die coating processes.

Polycyclic aromatic hydrocarbons (PAHs), which consist of low-molecular-weight PAHs (LMW-PAHs) and high-molecular-weight PAHs (HMW-PAHs), form an important class of pollutants. Pyrene and benzo[a]pyrene (BaP) are the main pollutants belonging to HMW-PAHs, and their degradation by microorganisms remains an important strategy for their removal from the environments. Extensive studies have been carried out on the isolation and characterisation of microorganisms that actively degrade LMW-PAHs, and to a certain extent, the HMW-PAH pyrene. However, so far, limited work has been carried out on BaP biodegradation. BaP consists of five fused aromatic rings, which confers this compound a high stability, rendering it less amenable to biodegradation. The current review summarizes the emerging reports on BaP biodegradation. More specifically, work carried out on BaP bacterial degradation and current knowledge gaps that limit our understanding of BaP degradation are highlighted. Moreover, new avenues of research on BaP degradation are proposed, specifically in the context of the development of “omics” approaches

In recent years, the photophysical properties of crystalline metal-organic frameworks (MOFs) have become increasingly relevant for their potential application in light-emitting devices, photovoltaics, nonlinear optics and sensing. The availability of high-quality experimental data for such systems makes them ideally suited for a validation of quantum mechanical simulations, aiming at an in-depth atomistic understanding of photophysical phenomena. Here we present a computational DFT study of the absorption and emission characteristics of a Zn-based surface-anchored metal-organic framework (Zn-SURMOF-2) containing anthracenedibenzoic acid (ADB) as linker. Combining band-structure and cluster-based simulations on ADB chromophores in various conformations and aggregation states, we are able to provide a detailed explanation of the experimentally observed photophysical properties of Zn-ADB SURMOF-2: The unexpected (weak) red-shift of the absorption maxima upon incorporating ADB chromophores into SURMOF-2 can be explained by a combination of excitonic coupling effects with conformational changes of the chromophores already in their ground state. As far as the unusually large red-shift of the emission of Zn-ADB SURMOF-2 is concerned, based on our simulations, we attribute it to a modification of the exciton coupling compared to conventional H-aggregates, which results from a relative slip of the centers of neighboring chromophores upon incorporation in Zn-ADB SURMOF-2.

Knowledge about the formation energies of compounds is essential to derive phase diagrams of multi-component phases with respect to elemental reservoirs. The determination of formation energies using common (semi-)local exchange-correlation approximations of density functional theory (DFT) exhibits well-known systematic errors if applied to oxide compounds containing transition metal elements. In this work, we generalize, reevaluate and discuss a set of approaches proposed and widely applied in the literature to correct for errors arising from the over-binding of the O2 molecule and from correlation effects of electrons in localized transition-metal orbitals. The DFT+U method is exemplarily applied to iron oxide compounds, and a procedure is presented to obtain U values, which lead to formation energies and electronic band gaps comparable to experimental values. Using such corrected formation energies, we derive the phase diagrams for LaFeO3, Li5FeO4 and NaFeO2, which are promising materials for energy conversion and storage devices. A scheme is presented to transform the variables of the phase diagrams from the chemical potentials of elemental phases to those of precursor compounds of a solid-state reaction, which represents the experimental synthesis process more appropriately. The discussed workflow of methods can directly be applied to other transition metal oxides.

Plants and plant-derived food products have been used for medicinal purposes since the ancient. Medicinal Plant-based functional foods or plant-based dietary compounds are a re-emerged interest for their therapeutic benefits and nutritive supports which has implicated in healthcare systems across the world. Neurological disorders are one of the greatest threats to public health and according to the World Health Organization, about 100 million people are affected globally by several neurological and mental ailments. In a traditional medication system, medicinal plants have been applied as both neuro-therapeutic purposes and micro-macro nutrients provider for the wellbeing of psychological states e.g. anti-depressant, anti-anxiety, anti-convulsions, anti-dementia, anti-psychotic, etc. Herein, it is a topic of great interest to present a conceptual aspect by reviewing relevant scientific literature about the plant-based functional foods or bioactive phytochemicals for the prevention and treatment of mental and neurological disorders. From the literature assessment, we have found that nutritional neuroscience is becoming an advanced research discipline and there has been a growing pile of evidence concerning the therapeutic use of plant-based functional foods and/or plant-derived food compounds for the management of neurologic health, evolving with promising impact over the time.

Several herbivores feed on maize in field and storage setups making the development of multiple-insect resistance a critical breeding target. In this study, an association mapping panel of 341 tropical maize lines was evaluated in three field environments for resistance to FAW (fall armyworm) whilst bulked grains were subjected to MW (maize weevil) bioassay, genotyped with Diversity Array Technologies single nucleotide polymorphisms (SNPs) markers. A multi-locus genome-wide association study (GWAS) revealed 62 quantitative trait nucleotides (QTNs) associated with FAW and MW resistance traits on all 10 maize chromosomes, of which, 47 and 31 were discovered at stringent Bonferroni genome-wide significance level of 0.05 and 0.01, respectively, and located within or close to multiple-insect resistance genomic regions (MIRGRs) concerning FAW, SB, and MW. Sixteen QTNs influenced multiple-traits of which six were associated with resistance to both FAW and MW suggesting a pleiotropic genetic control. Functional prioritization of candidate genes (CGs) located within 10-30kb of the QTNs revealed 64 putative GWAS-based CGs (GbCGs) showing evidence of involvement in plant defense mechanisms. Only one GbCG was associated with each of five of the six combined-resistance QTNs, thus, reinforcing the pleiotropy hypothesis. In addition, through In-silico co-functional network inferences, an additional 107 Network-based CGs (NbCGs), biologically connected to the 64 GbCGs, differentially expressed under biotic or abiotic stress were revealed within MIRGRs. The provided multiple-insect resistance physical map should contribute to the development of combined-insect resistance in maize.

By means of density functional theory (DFT) calculations, we have investigated the effect of hydrostatic pressure on the structural, electronic and elastic properties of the barium-doped silicon clathrate Ba8Si46 in the type-VIII structure (α phase). Physical properties are calculated under different conditions of pressure (0 GPa to 45 GPa) using the GGA-PBE functional, those calculations have been performed using the Cambridge serial total energy package CASTEP code within the Materials Studio package. Electronic properties have shown that the type-VIII Ba8Si46 has metal-like properties with a fundamental bandgap of 1 eV. Under pressure the fundamental bandgap increases slightly and the positions of the valence band maximum VBM and the conduction band minimum CBM remain unchanged. We found that the compound is mechanically stable under the pressure range, but this needs to be confirmed experimentally through synthesis, a comparison with the type-I and the guest-free counterparts has exhibited promising features for the type-VIII Ba8Si46.

The livestock sector can be a major contributor to the mitigation of greenhouse (GHG) emissions. Within the sector, beef production produces the largest proportion of the livestock sector’s direct emissions. The objective of this study was to assess the on-farm GHG emissions in semi-arid rangelands in Argentina and to identify the relationships between emissions and current farm management practices. A survey recorded detailed information on farm management and characteristics. Assessments of GHG emissions were based on the IPCC Tier 2 protocols [1]. The relationships between farm management and GHG emissions were identified using General Linear Models. Cluster analysis was used to identify groups of farms that differed from others in emissions and farm characteristics. Emissions per product sold were low on farms that had improved livestock care management, rotational grazing, received technical advice, and had high animal and land productivities. Emissions per hectare of farmland were low on farms that had low stocking rates, low number of grazing paddocks, little or no land dedicated to improved pastures and forage crops, and low land productivity. Our results suggest that the implementation of realistic, relatively easy-to-adopt farming management practices has considerable potential for mitigating GHG emissions in semi-arid rangelands of central Argentina.

Low dietary intake of calcium, vitamin D, vitamin C and magnesium has been associated with increased risk of osteoporosis. The purpose of the study was to evaluate changes in several bone health indicators and metabolic biomarkers in postmenopausal women, with high osteopenia or osteoporosis, followed by a nutritional intervention program. 115 apparently healthy postmenopausal women (52±8 years old) were randomized into four groups: group I (n=40) received daily 1000 mg vitamin C, 100 mcg vitamin D3, 500 mg calcium(Ca) and 300 mg magnesium (Mg); group II (n=42) received daily 100 mcg vitamin D3, 500 mg Ca and 300 mg Mg; group III (n=18) received daily 5 mg bisphosphonates, 100 mcg vitamin D3, 500 mg Ca and 300 mg Mg; and group IV (n=15) received daily about 364 mg polyphenols via an innovative functional food (50 g olive paste enriched with mountain tea extract) along with 100 mcg vitamin D3, 500 mg Ca and 300 mg Mg. Groups I -III received supplementation for a year whereas group IV for 5 months. Changes in bone health indicators and metabolic biomarkers were assessed at the beginning and at the end of the study. Anthropometric indices and whole-body bone mineral density (BMD) were also evaluated at the beginning and at the end of the intervention period. The results revealed improved elevated levels of 25(OH)D3, in groups II, III and IV (+3,71% and +1.45% and +5.62% respectively). Significant positive changes were recorded, for whole-body BMD, in all four study groups. Significant beneficial changes for total cholesterol were observed in group IV (-2.07%, P&lt;0.05) and positive changes in group I for HDL biomarker (+61.62%, P&lt;0.05). Additional larger-scale clinical trials and intervention studies are considered essential, to fully investigate and elucidate associations between dietary components and biochemical indices of bone health.

As a widely used plastic, the aging and degradation of polyethylene (PE) are inevitable problems, whether the goal is to prolong the life of PE products or address the issue of white pollution. Molecular simulation is a vital scientific tool in elucidating the mechanisms and processes of chemical reactions. To obtain the distribution and evolution process of PE's thermal oxidation products, this work employs the self-consistent charge density functional tight binding (SCC-DFTB) method to perform molecular simulations of the thermal oxidation of PE with different crystallinity and branched structures. We discovered that crystallinity does not affect the thermal oxidation mechanism of PE, but higher crystallinity makes PE more susceptible to cross-linking and carbon chain growth, reducing the degree of PE carbon chain breakage. The branched structure of PE results in differences in pore size between the carbon chains, with larger pores leading to a concentrated distribution of O2 and free radicals subsequently formed. The breakdown of PE is slowed down when free radicals are localized in low-density regions of the carbon chain. The specifics and mechanism of PE's thermal oxidation are clearly revealed in this paper, which is essential for understanding the process in-depth and for the development of anti-aging PE products.

The proliferation of SARS-COV-2 through enhanced viral replication and its subsequent triggering of cytokine storm, are some of the hallmark phenotypes in severe COVID-19 patient cases. Cyclosporine, an immunosuppressant drug and Selinexor, an inhibitor of nuclear transporter protein, both have been successfully demonstrated to be effective against SARS-COV-2 infection by targeting those functions individually. However, the highly multifactorial pathology of SARS-COV-2 infection hinders any mono-therapeutic strategy to become an optimal option. In this study, we assess the potential efficacy of the Cyclosporine-Selinexor combination on an integrated interactome by adopting a network-medicine-based repositioning technique, where disease proximity, functional proximity and their topological separation are evaluated, followed by a robust statistical significance test. Results have shown that both drug target modules are highly proximal to the SARS-COV-2 disease modules in terms of network topology and functional associations, in a statistically significant manner, individually. Functional enrichment of both drug modules and SARS-COV-2 infected modules has shown that two drugs target the functions related to viral replication and cytokine storm during infection. Moreover, a high degree of network separation been those two drug target modules has been observed, revealing ``complementary exposure`` patterns, rendering this drug combination as an effective one against SARS-COV-2 infection. We hope that our results will encourage researchers to further investigate the potency of Cyclosporine and Selinexor combination in vivo or in vitro, and ultimately lead that up to clinical trials to treat SARS-COV-2 patients.

Preventing the rebound of black and odorous water bodies is critical for improving the ecological environment of water bodies. This study investigated the effect and mechanism of in-situ improvement of sediment microenvironment by nitrate in tailwater of wastewater treatment plants combined with aerobic denitrifying bacteria under low-DO regulation (TailN+CFM+LDO). On the 60th day of remediation, the dissolved oxygen and oxidation-reduction potential in the overlying water increased to 5.6 mg/L and 300 mV, respectively, the acid volatile sulfide in the sediment decreased by 70.4%, and the organic matter in the sediment was reduced by 62.7%, in which the HFOM was degraded from 105 g/kg to 56 g/kg, and the potential risk of water reverting to black and odorous conditions significantly decreased. Amplicon sequencing analysis revealed that the relative abundance of electroactive bacteria Thiobacillus and Pseudomonas with denitrification capacity was found to be significantly higher in the TailN+CFM+LDO group than in the other remediation groups. Functional prediction of 16S sequencing results indicated that both the quantity and activity of critical microbial enzymes involved in nitrification and denitrification processes could enhance in the TailN+CFM+LDO group. These results improved our understanding of the improvement of the sediment microenvironment and could thus facilitate its application.

The dimethylaminophenyl-substituted silver phthalocyanine [dmaphPcAg] can be used as a UV-vis photoinitiator for in situ preparation of a silver/polymer nanocomposite. To verify early steps of the supposed mechanism of radical polymerization, we performed quantum chemical calculations of m[dmaphPcAg]q complexes with charges q = +1 to -2 in the two lowest spin states m, of a free ligand and its dehydrogenated/deprotonated products m[dmaphPcHn]q, n = 2 to 0, q= 0, -1 or -2, in the lowest spin states m. The calculated electronic structures and electron transitions of all the optimized structures in CHCl3 solutions are compared with experimental EPR and UV-vis spectra, respectively. The unstable 3[dmaphPcAg]+ species deduced only from previous EPR spin trap experiments was identified. In addition to 2[dmaphPcAg]0, our results suggest the coexistence of both reaction intermediates 1[dmaphPcAg]- and 3[dmaphPcAg]- in reaction solutions. Silver nanoparticle formation is a weak point of the supposed reaction mechanism from the energetic, stereochemistry, and electronic structure points of view.

The potentiality of cv. Malbec grape pomace (GP) as a functional ingredient in the formulation of bakery foods (muffins, biscuits and cereal bars) was studied. The effect of GP addition on the phenolic compounds (PCs) composition, nutritional and sensory properties were evaluated. The addition of GP increased the content of dietary fiber, proteins, ash, total phenolic content (TPC), antioxidant activity (AA), anthocyanins and non-anthocyanins PCs while decreasing the carbohydrates content. The main PCs given by the GP to supplemented foods were (-)-gallocatechin, quercetin-3-O-glucoside, rutin, caffeic acid, syringic acid and (+)-catechin. For anthocyanins, the acylated derivatives were more stable to heat treatment (baking) in food processing which was evidenced by a higher proportion of these PCs compounds when compared to the same derivatives quantified in GP. In general, when the TPC or individual concentrations of PCs were analyzed in a nutritional or functional context, one portion of the supplemented foods showed levels high enough to satisfy the recommended dose per day of these bioactive compounds. Additionally, the foods were well received by consumers during the sensory evaluation and supplemented biscuits got the highest acceptability. This study demonstrated that GP could be a viable functional ingredient in bakery foods to give nutritionally enhanced properties like TPC, PCs, AA and dietary fiber in consumer’s diets.

Background: Fermented milks are a source of bioactive peptides with different potential benefits on human health (mainly antioxidant and antihypertensive effects) and may be considered as functional foods. Furthermore, those made with sheep milk have higher nutritional value and higher concentrations of proteins, fats, minerals, and vitamins, if compared to milk of other species. Objectives: Aim of this study was to perform a biochemical characterization and a comparison between sheep fermented milk (SFM) made with commercial starter cultures and sheep milk YoAlp®, a fermented milk obtained using local strains of lactic acid bacteria (LABs) (Streptococcus thermophilus and Lactobacillus delbrueckii) which have been isolated during years in Aosta Valley mountain dairy cattle farm. Methods: Sheep milk and fermented milk (Sarda and Lacaune breeds) have been collected and immediately analyzed. Biochemical characterization, by a proteomic approach, GC/MS and microtiter plate assay methods, have been conducted to evaluate their peptide, fatty acid and aromatic profile, and to assess potential health promoting effects. Results: The comparison between SFM and YoAlp® peptide profile shows a higher number of peptides using autochthonous starter cultures (52) than commercial starter cultures (35). Among these peptides 20,78% and 29,87%, respectively, are supposed to be potentially bioactive (DPP - dipeptidyl peptidase-IV - inhibitor, ACE - angiotensin converting enzyme – inhibitor and antioxidant). In both products, the fatty acids profile was similar to that of origin sheep milk; concerning aromatic profile, YoAlp® shows yogurt typical aromatic assets, similar to the commercial one. As far as bioactivity is concerned, ACE inhibitor activity is high for both samples. Similar values, as expected by peptide profile analysis, have been obtained using commercial and autochthonous starters. Even in the case of antioxidant capacity, peptide profile bioactivity prediction has been confirmed by the assay showing a DPPH inhibition higher for SFM than for YoAlp®, but this difference is not statistically significative. Conclusions: Local strains of lactic acid bacteria from Aosta Valley seems to work as well as the commercial, preserving biodiversity and typicality. However, further analyses are needed to identify peptides generated by autochthonous LABs in order to understand microbial proteolytic activities and to investigate gastric digestion resistance of bioactive peptides which can have positive effects on human health.

Soil improvement methods can result in changes in the microbial community in blueberry soil. However, there have been few reports on the impacts of different soil improvement methods on the microbial function, particularly on endophytic microbe. In this study, we analyzed the response of microbial community composition, microbial function and nitrogen (N) cycle to different improvement methods using high throughput sequencing. We aimed to investigate the best soil improvement method from a microbial perspective. The results showed that the highest microbial diversity was observed in the T4 treatment (peat combined with mushroom bran), followed by the T2 treatment (peat combined with acidified rice husk) both in the rhizosphere and roots. The dominant phyla were Proteobacteria and Actinobacteria, which were most abundance in the T4 and T1 (peat combined with sulfur) treatments in the rhizosphere soil, respectively, but showed the opposite trend in the root endophytic bacterial community. Interestingly, Acidobacterium and Paludibaculum, belonging to the Acidobacteria phylum, were found to have the highest influence according to the correlation network analysis. And these bacteria were most abundant in the T2 treatment in the rhizosphere soil. The rhizosphere soil microbial communities were clustered into two categories: one for T1 and T2 treatments, and another for T3 (mushroom bran) and T4 treatments. Compared to the other treatments, the T1 treatment had the most significant impact on microbial functional pathways in the blueberry roots. T2 treatment promoted the growth of N fixation functional bacteria both in the rhizosphere soil and roots. At the module level, the T2 treatment increased the relative abundance of N fixation and decreased the relative abundance of assimilating nitrate reduction reaction (ANRA), dissimilating nitrate reduction reaction (DNRA), denitrification and completed nitrification in the blueberry rhizosphere soil. Additionally, the T2 treatment increased the abundance of root endophytic microbes involved in N fixation. Overall, our findings suggest that the addition of peat combined with acidified rice husk is the optimal soil improvement method for blueberry cultivation.

The surprisingly high catalytic activity of gold has been known to the heterogeneous catalysis community since the mid-1980s. Significant effort has been directed towards improving the reactivity of these surfaces towards important industrial reactions. One such strategy is the introduction of small amounts of other metals to create Au-based surface alloys. In this work, we investigate the synergistic effect of Pt doping of the Au(111) surface towards decreasing the activation barrier of the methanol dehydrogenation elementary step, within first-principles density functional theory. To this aim we construct several models of \ce{Pt}-doped Au(111) surfaces, including a full \ce{Pt} overlayer and monolayer. The effect of \ce{Pt} surface doping is then investigated via the computation of adsorption energies of the various chemical species involved in the catalytic step, and the estimation of activation barriers of methanol dehydrogenation. Both electronic and strain effects induced by \ce{Pt} surface doping concur in substantially lowering the activation energy barrier of this important reaction elementary step. Morever, in the presence of preadsorbed atomic oxygen, \ce{Pt} surface doping can be used to reduce the activation energy for methanol dehydrogenation to as low as 0.1 eV.

(1) Background : Low dietary intake of calcium, vitamin D, vitamin C and magnesium has been associated with increased risk of osteoposrosis. The purpose was to evaluate changes in biomarkers of bone metabolism, and cardiometabolic health in postmenopausal women, with high risk of osteoporosis, followed by a nutritional intervention program. (2) Method: It was a prospective randomized controlled trial. A sample of 115 apparently healthy postmenopausal women(45 -75 years of age) randomized into four groups: (I) nutritional intervention group(n=40) received daily 1000mg vitamin C, 500mg vitamin D3, 500mg calcium(Ca) and 300mg magnesium (Mg); (II) control group(n=42) received daily 500mg vitamin D3, 500mg Ca and 300mg Mg; (III) nutritional intervention group (n=18) received daily 150mg bisphosphonates, 500mg vitamin D3, 500mg Ca and 300mg Mg; and (IV) nutritional intervention group (n=15) received daily about 364 mg polyphenols via an innovative functional food (50g olive paste enriched with mountain tea extract) along with 500mg vitamin D3, 500mg Ca and 300mg Mg. Groups I -III received supplementation for a year whereas group IV for 5 months. Changes in calciregulatory hormone parathormone (PTH) were evaluated at the beginning of the study as well as at 5 and 12 months intervals. Blood levels of vitamin D, vitamin C, Ca, Mg and the lipid profile were assessed at the beginning and at the end of the study. Anthropometric indices (weight, body fat(Kg), Body Mass Index(BMI) and bone mineral density(BMD) were evaluated at the beginning and at the end of the study. Statistical analysis was performed with IBM-SPSS Statistics-21. The level of statistical significance was set at p<0.05. (3) Results: 25(OH)D3 levels were improved, in groups II, III and IV (+3,71% and +1.45% and +5.62% respectively). PTH levels were increased at the end of the intervention period, for groups I and IV. Significant positive changes recorded, in total BMD, in all four study groups. Significant beneficial changes for total cholesterol was observed in group IV (-2.07%, P<0.05) and positive changes in group I for HDL biomarker (+61.62%, P<0.05) (4) Conclusions:. Additional larger-scale clinical trials and intervention studies are considered essential, in order to fully investigate and elucidate associations between dietary components and biochemical indices of bone metabolism.

A full potential all-electron density functional method within generalized gradient approximation is used to investigate the electronic, elastic and transport properties of cubic copper sulphide and copper selenide. The electronic structure suggests metallic behavior with a zero energy band gap for both materials. Elastic property calculations suggest a stiff material with the bulk to shear modulus ratio of 0.35 and 0.44 for Cu2S and Cu2Se respectively. The transport properties were estimated using the Boltzmann transport approach. Seebeck coefficient, electrical conductivity, thermal conductivity, and power factor all suggest a potential p-type conductivity for Cu2S and n-type conductivity for Cu2Se.

The behavioral variant of frontotemporal dementia (bvFTD) has a devastating effect on multiple domains of daily living. The purpose of this PRISMA-compliant systematic review is to summarize the most important factors associated with functional impairment in this clinical group by critically analyzing the existing literature spanning the period from 2000 to 2023. To be included in the review, the study had to investigate any kind of correlates of functional status in bvFTD patients, using a previously validated instrument of functional assessment. Out of 40 articles assessed for eligibility, 18 met the inclusion criteria. The anatomical pattern of cerebral atrophy at baseline appeared to be the strongest predictor of the rate of functional decline over time, with the frontal-dominant anatomical subtype being associated with a faster rate of functional impairment. Additionally, executive dysfunction as well as apathy appeared to contribute significantly to functional disability in bvFTD patients. A comparative examination of bvFTD in relation to other clinical subtypes of FTD and other types of dementia in general suggests that it’s the predominant atrophy of the frontal lobes along with the subsequent unique combination of cognitive and neuropsychiatric manifestations that account for the pronounced functional limitations observed in these individuals, even from the early stages of the disease.

Obesity represents a worldwide epidemic disorder, increasing the overall morbidity and mortality rate. In this study we investigated the impact of obesity on peri-operative and long-term functional outcomes of Robotic assisted simple prostatectomy (RASP). Baseline flowmetry parameters and validated questionnaires’ scores were prospectively recorded. Follow-up assessments included Flowmetry and validated questionnaires. Composite outcomes (Trifecta) was defined as combination of: post-operative Q-max>15 ml/sec, IPSS score<8 and absence of complications. Pentafecta included also post-operative ejaculation persistence (MSHQ score>0) and the Erectile function maintenance (∆IEEF<6). Data were stratified by BMI (<30 or ≥30). 81 patients underwent RASP in our Institution. Baseline demographics and clinical features, questionnaires score and baseline flowmetry results were comparable between obese and non-obese cohorts. At follow-up, obese patients reported lower subjective improvement in IPSS (p=0.02) and OABQ scores (p<0.001) and higher incidence of stress incontinence requiring Duloxetin (p<0.001). Flowmetry outcomes, were also worse in this cohort (p=0.02 and p=0.03, respectively). At comprehensive outcomes assessment, obese patients had comparable Trifecta (67% vs 54%, p=0.39) and pentafecta achievement rate (p=0.76). Our prelimirary results proved that obesity is associated with worse functional outcomes (storage LUTS and incontinence rate) after RASP, but doesn’t affect trifecta and pentafecta achievement rate.

For a long time, there has been interest in the relationship between personality traits and life satisfaction. However, many previous studies suffer from small sample sizes or selective sampling, sometimes leading to biased or imprecise results. The current study, which focuses on the trait of extraversion, attempts to overcome these limitations by using a large-scale German survey of more than 40,000 individuals aged 10 to 72. As the descriptive and regression results clearly show, there is a statistically significant relationship between extraversion and several dimensions of current life satisfaction. Depending on the type of satisfaction, the unstandardized regression coefficients range from 0.18 to 0.33. To gain further insight, age is added as an explanatory variable to test whether these associations change as a person ages. The results show that the effect sizes sometimes differ by age but remain robust and statistically significant. In conclusion, the study adds to the literature by providing convincing evidence that extraversion and life satisfaction are positively associated, at least in Western and industrialized countries, and that there are interaction effects with age.

This study investigated the effects of modified rice bran arabinoxylan compound (RBAC) as a dietary supplement on the gut microbiota of healthy adults. Ten volunteers supplemented their diet with 1g of RBAC for six weeks and 3g of RBAC for another six weeks, with a three-week washout period. Faecal samples were collected every 3 weeks over 21 weeks. Microbiota from faecal samples were profiled using 16S rRNA sequencing. Assessment of alpha and beta microbiota diversity was performed using the QIIME2 platform. The results revealed that alpha and beta diversity were not associated with the experimental phase, interventional period, RBAC dosage, or time. However, statistical significance of participant was detected in alpha (p&lt;0.002) and beta (weighted unifrac, p=0.001) diversity. Explanatory factors including age and diet were significantly associated with alpha (p&lt;0.05) and beta (p&lt;0.01) diversity. The individual beta diversity of six participants significantly changed (p&lt;0.05) during the interventional period. Seven participants showed statistically significant taxonomic changes (ANCOM W≥5). These results classified four participants as responders to RBAC supplementation, with a further two participants likely responders. In conclusion, the gut microbiome is highly individualised and modulated by RBAC as a dietary supplement, dependent on lifestyle and dietary intake

Based on functional magnetic resonance imaging and multilayer dynamic network model, the quantified temporal stability of brain network has shown potentials in predicting altered brain functions. The present review focuses on summarizing current knowledge on the commonly-used measures of brain network’s temporal stability and the clinical research progress on them. There are a variety of widely used measures of temporal stability such as the variance/standard deviation of dynamic functional connectivity strengths, the temporal variability, the flexibility (switching rate), and the temporal clustering coefficient, while there is no consensus to date that which measure is the best. The temporal stability of human brain networks may be associated with several factors such as sex, age, cognitive functions, head motion, and data preprocessing/analyzing strategies, which should be considered in the clinical studies. Multiple common psychiatric diseases such as schizophrenia, major depressive disorder, and bipolar disorder have been found to be related to altered temporal stability, especially during the resting state; generally, both excessively decreased and increased temporal stabilities were thought to reflect disease-related brain dysfunctions. However, the measures of temporal stability are still far from applications in clinical diagnoses for neuropsychiatric diseases partly because of the divergent results, and further studies are warranted.

Using density functional theory (DFT) and the information-theoretic approach (ITA) quantities to appreciate the energetics and properties of biopolymers is still an unaccomplished and ongoing task. To this end, we studied the building blocks of nucleic acid base pairs and small peptides. For base pairs, we have dissected the relative importance of energetic components by using two energy partition schemes in DFT. Our results convincingly show that the exchange-correlation effect predominantly governs the molecular stability of base pairs while the electrostatic potential plays a minor but indispensable role, and the steric effect is trivial. Furthermore, we have revealed that simple density-based ITA functions are in good relationships with molecular polarizabilities for a series of 30 hydrogen-bonded base pairs and all 20 natural α-amino acids, 400 dipeptides, and 8000 tripeptides. Based on these lines, one can easily predict the molecular polarizabilities of larger peptides, even proteins as long as the total molecular wavefunction is available, rather than solving the computationally demanding coupled-perturbed Hartree-Fock (CPHF) equation or its DFT counterpart coupled-perturbed Kohn-Sham (CPKS) equation.

Titanium dioxide nanoparticles have risen concerns about their possible toxicity and the European Food Safety Authority recently banned the use of TiO2 nano-additive in food products. Following the intent of relating nanomaterials atomic structure with their toxicity without having to conduct large scale experiments on living organisms, we investigate the aggregation of titanium dioxide nanoparticles using a multi-scale technique: starting from ab initio Density Functional Theory to get an accurate determination of the energetics and electronic structure, we switch to classical Molecular Dynamics simulations to calculate the Potential of Mean Force for the connection of two identical nanoparticles in water; the fitting of the latter by a set of mathematical equations is the key for the upscale. Lastly, we perform Brownian Dynamics simulations where each nanoparticle is a spherical bead. This coarsening strategy allows studying the aggregation of a few thousand nanoparticles. Applying this novel procedure, we find three new molecular descriptors, namely, the aggregation free energy and two numerical parameters used to correct the observed deviation from the aggregation kinetic described by the Smoluchowski theory. Molecular descriptors can be fed into QSAR models to predict the toxicity of a material knowing its physicochemical properties, without having to conduct large scale experiments on living organisms.

Patients often need the use of their arms to assist with functional activities, but after bone disruption, pushing is frequently limited to less than 4.5 kg. No method exists to measure arm weight bearing objectively in clinical settings. This project aimed to design, construct, and test a walker for patients who need to limit arm force to prevent excessive bone stress during post-fracture (iatrogenic or traumatic) ossification. First, a qualitative study was conducted to obtain critiques of a Clinical Force Measuring (CFM) walker prototype from rehabilitation professionals. Key statements and phrases were coded that allowed “themes” to emerge from transcribed interviews, which guided device revisions. Next, a second CFM Walker prototype was designed based on the qualitative data and device criteria/constraints and finally tested. The result was fabrication of a new lightweight, streamlined, and cost-effective prototype walker with a simple visual display and auditory cue with upper limit alarms. Key features included attachments for medical equipment and thin film force-sensing resistors integrated into the walker handles that progressively activated 3 LEDs and a buzzer when arm force exceeded programmed thresholds. The innovative CFM Walker will help patients with restricted arm weight bearing, especially elderly adults, recover safer and faster in the future.

Oyster mushroom (Pleurotus ostreatus), nopal (Opuntia ficus-indica) and amaranth (Amaranthus spp.) are pre-hispanic foods widely consumed in Mexico. However, there are no standard products developed with these ingredients as functional cookies. This study evaluated the impact of partial replacement (50%) of whole-wheat flour (WWF) with three formulations of P. ostreatus, nopal and amaranth flours (POF, NF and AF, respectively) in the nutritional/antioxidant properties of fortified cookies. The proportion of flours´ ingredients (WWF:AF:NF:POF) were 100% WWF (traditional cookies), 50:35:10:5 (formulation 1), 50:30:15:5 (formulation 2) and 50:40:5:5 (formulation 3). Proximal composition, phenolic/flavonoid contents, and ABTS+ scavenging activity were determined in flours and cookies. POF, NF and AF possess a high nutritional value comprising polyphenols/flavonoids and a significant antioxidant potential. Total protein, ashes and flavonoids were higher in fortified cookies than controls. Cookies prepared with Formulation 2 -highest nopal level- contained 5.29% of dietary fiber and 5-times higher polyphenol content than control cookies. The ABTS+ scavenging ability was similar in the three enriched cookies (87.73-89.58%) but higher than traditional cookies (75.60%). Applicability of POF/NF/AF for replacing up to 50% of WWF in production of functional cookies was demonstrated. The research promotes renewable local bioresouces for a sustainable agri-food chain, especially edible mushrooms.

A major task in Functional Time Series Analysis is measuring the dependence within and between processes, for which lagged covariance and cross-covariance operators have proven to be a practical tool in well-established spaces. This article deduces estimators and asymptotic upper bounds of the estimation errors for lagged covariance and cross-covariance operators of processes in Cartesian products of abstract Hilbert spaces for fixed and increasing lag and Cartesian powers. We allow the processes to be non-centered, and to have values in different spaces when investigating the dependence between processes. Also, we discuss features of estimators for the principle components of our covariance operators.

Members of the insect ATP binding cassette transporter subfamily C2 (ABCC2) in several moth species are known as receptors for the Cry1Ac insecticidal protein from Bacillus thuringiensis (Bt). Mutations that abolish the functional domains of ABCC2 are known to cause resistance to Cry1Ac, although the reported levels of resistance vary widely depending on insect species. In this study, the function of the ABCC2 gene as putative Cry1Ac receptor in Helicoverpa zea, a major pest of over 300 crops, was evaluated using CRISPR/Cas9 to progressively eliminate different functional ABCC2 domains. Results from bioassays with edited insect lines support that muta-tions in ABCC2 was associated with Cry1Ac resistance ratios (RR) ranging from 7.3- to 39.8-fold. No significant differences in susceptibility to Cry1Ac were detected between H. zea with partial or complete ABCC2 knockout, although highest levels of tolerance were observed when knocking out half of ABCC2. Based on >500-1,000-fold RRs reported in similar studies for closely related moth species, the low RRs observed in H. zea knockouts support that ABCC2 is not a major Cry1Ac receptor in this insect.

RNA editing involves the insertion, deletion or substitution of single nucleotides within a RNA molecule, without altering the DNA sequence. Adenosine to inosine (A-to-I) editing consists of an RNA modification where single adenosines along the RNA sequence are converted into inosines. Such a biochemical transformation is catalyzed by enzymes belonging to the family of adenosine deaminases acting on RNA (ADARs) and occurs either co- or post-transcriptionally. Initially, the A-to-I RNA editing phenomenon was discovered and studied in messenger RNAs (mRNAs), where it can influence RNA splicing and cause the recoding of codon sequences. The employment of more powerful, high-throughput detection methods has recently revealed that A-to-I editing widely occurs in non-coding RNAs, including microRNAs (miRNAs). MiRNAs are a class of small regulatory non-coding RNAs (ncRNAs) acting as translation inhibitors, known to exert relevant roles in controlling cell cycle, proliferation, and cancer development. Indeed, a growing number of recent researches have evidenced the importance of miRNA editing in cancer biology by exploiting various detection and validation methods. Herein, we briefly overview early and currently available A-to-I miRNA editing detection and validation methods and discuss the significance of A-to-I miRNA editing in human cancer.

FeIFeI Fe2(S2C3H6)(CO)6(µ-CO) (1a-CO) and its FeIFeII cationic species (2a+-CO) are the simplest model of the CO-inhibited [FeFe] hydrogenase active site, which is known to undergo CO photolysis within a temperature- dependent process whose products and mechanism are still a matter of debate. Using Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TDDFT) computations, the ground state and low-lying excited state potential energy surfaces (PESs) of 1a-CO and 2a+-CO have been explored aimed at elucidating the dynamics of the CO photolysis yielding Fe2(S2C3H6)(CO)6 (1a) and Fe2(S2C3H6)(CO)6+ (2a+), two simple models of the catalytic site of the enzyme. Two main results came out from these investigations. First, a-CO and 2a+-CO are both bound with respect to any CO dissociation with lowest free energy barriers around 10 kcal mol-1, suggesting that at least 2a+-CO might be synthetized. Second, focusing on the cationic form, we found at least two clear excited state channels along the PESs of 2a+-CO that are unbound with respect to equatorial CO dissociation.

MXenes are two-dimensional nanomaterials isolated from MAX phases by the selective extraction of the A component —a p-block element. The MAX phase exfoliation energy, Eexf, is regarded as a chemical descriptor of the MXene synthesizability. Here we show, by density functional theory estimations of the Eexf values for 486 different MAX phases, that Eexf decreases i) when MAX is a nitride, ii) when going along a d series of the metal M component, iii) when going down a group of the p-block A element, as well as iv) when having thicker MXene phases. Furthermore, Eexf is found to bias, even to govern, the surface chemical activity, as evaluated here on the CO2 adsorption strength, so that more unstable MXenes, displaying larger Eexf values, display a stronger attachment of species upon.

This document focuses attention on the fundamental solution of an autonomous linear retarded functional differential equation (RFDE) along with its supporting cast of actors: kernel matrix, characteristic matrix, resolvent matrix, and the Laplace transform. The fundamental solution is presented in a form of the convolutional powers of the kernel matrix in the manner of a convolutional exponential matrix function. The fundamental solution combined with a solution representation gives an exact expression in explicit form for the solution of a RFDE. Algebraic graph theory is applied to the RFDE in the form of a weighted loop-digraph to illuminate the system structure and system dynamics and to identify the strong and weak components. Examples are provided in the document to elucidate the behavior of the fundamental solution. The paper introduces fundamental solutions of other functional differential equations.

Meloidogyne javanica causing root-knot nematode in soybean is an important problem in soybean areas, leading to several yield losses. Some accessions have been identified carrying resistance loci to this nematode specie. In this study, a set of 317 soybean accessions were characterized for resistance to M. javanica. Genome-wide association study (GWAS) was performed using SNPs from genotyping-by-sequencing (GBS), and a region of 29.2 Kbp on chromosome 13 was identified. The haplotype analysis showed that SNPs were able to discriminate susceptible and resistant accessions, leading to 25 accessions sharing the resistance locus. Furthermore, 5 accessions may be new M. javanica resistance sources. The screening of the SNPs in the USDA soybean germplasm showed that several accessions previous reported as resistance to other nematodes also showed the resistance haplotype on chromosome 13. High levels of concordance among the phenotypes of Brazilian cultivars and the SNPs in chromosome 13 were observed. A in silico analysis of the mapped region on soybean genome revealed a presence of 5 genes with structural similarity with major resistance genes. The expression levels of the candidate genes in the interval demonstrated a potential pseudogene, and other two model genes up-regulated in the resistance source after pathogen infection. The SNPs associated to the region conferring resistance is a important tool for introgression of the resistance by marker-assisted selection in soybean breeding programs.

Real-time evolution of the electron densities under excitations in La₂CuO₄ was calculated by the time-dependent density functional theory (TDDFT). The author found, for the first time, under excitations, the electron cloud of Cu²⁺ changes obviously and the characteristic frequencies are 83 meV and 36 meV, respectively, for two different modes. The results are unexpected and close to that of lattice vibrations. The results show that the electron cloud of Cu²⁺ (just like the lattice) can be the electron-pairing medium in high temperature copper oxide superconductors.

G protein-coupled receptors (GPCRs) play a key role in many cellular signaling mechanisms, and must select among multiple coupling possibilities in a ligand-specific manner in order to carry out a myriad of functions in diverse cellular contexts. Much has been learned about the molecular mechanisms of ligand-GPCR complexes from Molecular Dynamics (MD) simulations. However, to explore ligand-specific differences in the response of a GPCR to diverse ligands, as is required to understand ligand bias and functional selectivity, necessitates creating very large amounts of data from the needed large-scale simulations. This becomes a Big Data problem for the high dimensionality analysis of the accumulated trajectories. Here we describe a new machine learning (ML) approach to the problem that is based on transforming the analysis of GPCR function-related, ligand-specific differences encoded in the MD simulation trajectories into a representation recognizable by state-of-the-art deep learning object recognition technology. We illustrate this method by applying it to recognize the pharmacological classification of ligands bound to the 5-HT2A and D2 subtypes of class A GPCRs from the serotonin and dopamine families. The ML-based approach is shown to perform the classification task with high accuracy, and we identify the molecular determinants of the classifications in the context of GPCR structure and function. This study builds a framework for the efficient computational analysis of MD Big Data collected for the purpose of understanding ligand-specific GPCR activity.

Polychlorinated phenoxathiins (PCPTs), polychlorinated dibenzothiophenes (PCDTs), and polychlorinated thianthrenes (PCTAs) are sulfur analogues of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/DFs). Chlorothiophenols(CTPs) and chlorophenols (CPs) are key precursors to form PCTA/PT/DTs, which can form chloro(thio)phenoxy radical, sulfydryl/hydryl-substituted phenyl radical and (thio)phenoxyl diradicals. The available radical/radical PCTA/DT formation mechanism failed to explain the higher concentration of PCDTs than that of PCTAs under the pyrolysis or combustion conditions. Thus in this work, a detailed thermodynamics and kinetic calculations were carried out to investigate the pre-intermediates formation for PCTA/PT/DTs from radial/molecule coupling of 2-C(T)P with their key radical species. Our study found that the radial/molecule mechanism can thermodynamically and kinetically contribute to the gas-phase formation of PCTA/PT/DT/s. The S/C coupling modes to form thioether-(thio)enol intermediats are preferable over the O/C coupling modes to form ether-(thio)enol intermediats. Thus, although the radial/molecule coupling of chlorophenoxy radical with 2-C(T)P have no effect on the PCDD/PTs formation, the radial/molecule coupling of chlorothiophenoxy radical with 2-C(T)P play an important role in the PCDT/PT formation. Most importantly, the pre-PCDT intermediates formation pathways from the coupling of sulfydryl/hydryl-substituted phenyl radical with 2-C(T)P and the coupling of (thio)phenoxyl diradicals with 2-C(T)P are more favorable to pre-PCTA/PT intermediates formation pathways from the coupling of chlorothiophenoxy radical with 2-C(T)P, which can give reasonable explanation for the high PCDT-to-PCTA ratio in the environment.

We study the existence or absence of non-Shannon inequalities for variables that are related by functional dependencies. Although the power-set on four variables is the smallest Boolean lattice with non-Shannon inequalities there exist lattices with many more variables without non-Shannon inequalities. We search for conditions that excludes the existence of non-Shannon inequalities. It is demonstrated that planar modular lattices cannot have non-Shannon inequalities. The existence of non-Shannon inequalities is related to the question of whether a lattice is isomorphic to a lattice of subgroups of a group.

Data dealing with the assessment of heavy metal pollution in road dusts in Jeddah, Saudi Arabia and its implication to human health risk of human exposure to heavy metals, are scarce. Road dusts were collected from five different functional areas (traffic areas TA, parking areas PA, residential areas RA, mixed residential commercial areas MCRA and suburban areas SA) in Jeddah and one in rural area (RUA) in Hada Al Sham. We aimed to measure the pollution levels of heavy metals and estimate their health risk of human exposure applying risk assessment models described by USEPA. Using geo-accumulation index (I_geo), the pollution level of heavy metals in urban road dusts was in the following order Cd > As > Pb > Zn > Cu > Ni > Cr > V > Mn > Co > Fe. Urban road dust was found to be moderately to heavily contaminated with As, Pb and Zn, and heavily to extremely contaminated with Cd. Calculation of enrichment factor (EF) revealed that heavy metals in TA had the highest values compared to that of the other functional areas. Cd, As, Pb, Zn and Cu were severely enriched, while Mn, V, Co, Ni and Cr were moderately enriched. Fe was consider as a natural element and consequently excluded. The concentrations of heavy metals in road dusts of functional areas were in the following order: TA > PA > MCRA > SA > RA > RUA. The study revealed that both children and adults in all studied areas having health quotient (HQ) < 1 are at negligible non-carcinogenic risk. The only exception was for children exposed to As in TA. They had an ingestion health quotient (HQ_ing) 1.18 and a health index (HI) 1.19. The most prominent exposure route was ingestion. The cancer risk for children and adults from exposure to Pb, Cd, Co, Ni, and Cr was found to be negligible (< 1 x 10^-6).

As an important support for power system with high penetration of renewable energy, energy storage system (ESS) has changed the traditional model of simultaneous implementation of electricity production and consumption, and its installed capacity under the source-grid-load scenario is rising year by year, but it faces the problems of insufficient utilization and benefits. This study analyzes the functional combination of ESS under the source-grid-load scenarios, and proposes a comprehensive benefit evaluation method of energy storage projects based on fuzzy decision-making trial and evaluation laboratory (DEMATEL) and super efficiency data envelopment analysis (DEA) model, which considers the perspective of economic and social environment. Firstly, the functional requirements of energy storage on the source-grid-load scenarios are explored respectively, and the characteristics of various functions are analyzed to form functional combination schemes. Secondly, index modeling is carried out from three aspects: the whole life cycle cost, functional combination benefit and social environmental benefit, and the comprehensive benefit evaluation index system of energy storage project is proposed, which includes both economic and social environment. Then, the intuitionistic trapezoidal fuzzy number is combined with DEMATEL to form an effective analysis method for the input-output relationship of the indexes, and the comprehensive evaluation is realized based on the super efficiency DEA model. Finally, the effectiveness of the proposed evaluation method and the rationality of the functional combination are verified under source-grid-load scenarios respectively.

Fractional flow reserve (FFR) is well recognized as a gold standard measure for the estimation of functional coronary stenosis. Technological progressions in image processing have empowered the reconstruction of three-dimensional models of the coronary arteries via both non-invasive imaging modalities, such as Coronary Computed Tomography Angiography (CCTA), and invasive coronary angiography or intravascular imaging. The application of computational fluid dynamics (CFD) techniques to coronary 3D anatomical models allows the virtual evaluation of the hemodynamic significance of a coronary lesion with high diagnostic accuracy in comparison to the invasive FFR using pressure wires. These opportunities providing hemodynamic information based on anatomy have given rise to a new era of functional angiography and coronary imaging. However, further validations are needed to overcome several scientific and computational challenges before these methods are applied in everyday clinical practice. This review aims to present all the data on the studies and methodologies that have been presented for the virtual estimation of FFR, and the diagnostic execution of the virtual tools for the hemodynamic assessment of coronary lesions compared to the invasive FFR.

This study introduces an efficient strategy for synthesizing polyhydroxyurethane-based multicomponent hydrogels with enhanced rheological properties. In a single-step process, 3D materials composed of Polymer 1 (PHU) and Polymer 2 (PVA or gelatin) were produced. Polymer 1, a crosslinked polyhydroxyurethane (PHU) grew within a colloidal suspension of Polymer 2, forming an interconnected network. The synthesis of Polymer 1 utilized a Non-Isocyanate Polyurethane (NIPU) methodology based on the aminolysis of bis(cyclic carbonate) (bisCC) monomers derived from 1-thioglycerol and 1,2-dithioglycerol (monomers MA and ME, respectively). This method, applied for the first time in Semi Interpenetrating Network (SIPN) formation, demonstrated exceptional orthogonality, since the functional groups in Polymer 2 do not interfere with Polymer 1 formation. Optimizing PHU formation involved a twenty-trial methodology, identifying influential variables such as polymer concentration, temperature, solvent (an aprotic and a protic solvent), and the organo-catalyst used [a thiourea derivative (TU) and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)]. The highest molecular weights were achieved under near-bulk polymerization conditions using TU-protic and DBU-aprotic as catalyst-solvent combinations. ME-based PHU exhibited higher (M_w ) ̅ than MA-based PHU (34,100 Da and 16,400 Da, respectively). Applying the enhanced methodology to prepare ten multicomponent hydrogels using PVA or gelatin as the polymer scaffold revealed superior rheological properties in PVA-based hydrogels, exhibiting solid-like gel behavior. Incorporating ME enhanced mechanical properties and elasticity (with loss tangent values of 0.09 and 0.14). SEM images unveiled distinct microstructures, including a sponge-like pattern in certain PVA-based hydrogels when MA was chosen, indicating the formation of highly superporous interpenetrated materials. In summary, this innovative approach presents a versatile methodology for obtaining advanced hydrogel-based systems with potential applications in various biomedical fields.

Background: Olecranon fractures are common injuries of the upper limb in adults. Simple dis-placed trasverse fractures are generally surgically treated with tension-band wiring (TBW) or plate fixation (PF). The purpose of this retrospective study is to compare the clinical-functional outcome, complications and reoperation rates between TBW and PF for Mayo IIA fractures. Methods: 72 patients treated with PF or TBW at our institution, completed our survey and clinical evaluation and their demographic and clinical data were recorded and analysed. The clini-cal-functional outcomes were evaluated assessing ROMs and three validated scoring systems: the Disabilities of the Arm, Shoulder, and Hand (DASH), the Mayo Elbow Performance Score (MEPS) and the Patient American Shoulder and Elbow Surgeons Standardized Elbow Assess-ment score (pASES-e). Results: 38 patients (53%) underwent TBW and 34 (47%) PF. The mean DASH, MEPS and pASES-e scores were respectively 14.5±17.2, 80.5±14.7 and 83.6±12.4 in the TBW group and 21±21.7, 75.6±15.3 and 75.1±19.2 in the PF group (p=0.16, p=0.17 and p=0.03). The mean duration of surgery and hospitalisation period were longer in the PF group (p=0.002, p=0.37) whereas the complication and reoperation rates were higher after TBW (p=0.15, p=0.24). Conclusion: According to the literature, both TBW and PF resulted comparable valid surgical op-tions for the treatment of simple isolated displaced olecranon fractures, revealing that they both provide good/excellent outcomes with no significant differences.