Long-term benefit of ustekinumab in ulcerative colitis in clinical practice: ULISES study.

BACKGROUND: Ustekinumab is approved for ulcerative colitis (UC). AIMS: To assess the durability of ustekinumab in patients with UC and its short-term effectiveness, durability and tolerability in clinical practice. METHODS: Retrospective, multicentre study of patients who had received their first ustekinumab dose at least 16 weeks before inclusion. Patients were followed until treatment discontinuation or last visit. Only patients with active disease at the start of ustekinumab treatment were considered in the effectiveness analysis. Patients who stopped ustekinumab before their last visit were considered not to be in subsequent remission. RESULTS: We included 620 patients; 155 (25%) discontinued ustekinumab during follow-up (median 12 months). Rate of discontinuation was 20% per patient-year of follow-up. Anaemia at baseline (hazard ratio, HR 1.5; 95% confidence interval [CI] 1.1-2.1), steroids at baseline (HR 1.5; 95% CI 1.06-2.08) and more severe clinical activity at baseline (HR 1.5; 95% CI 1.09-2.06) were associated with higher risk of discontinuation. At the end of induction, 226 (40%) patients were in steroid-free clinical remission. Moderate-severe vs mild disease activity at baseline (odds ratio [OR] 0.3; 95% CI 0.2-0.5), male sex (OR 0.5; 95% CI 0.4-0.8), and increased number of previous biologics (OR 0.6; 95% CI 0.6-0.8) were associated with lower likelihood of steroid-free clinical remission at week 16. One hundred and seventy-six patients (28%) had at least one adverse event. We observed no negative impact of ustekinumab on extraintestinal manifestations and/or immune-mediated diseases. CONCLUSIONS: Ustekinumab durability in UC was relatively high, and treatment was effective in highly refractory patients. The safety profile was consistent with previous studies.

Effects of Process Parameters and Process Defects on the Flexural Fatigue Life of Ti-6Al-4V Fabricated by Laser Powder Bed Fusion.

The fatigue performance of laser powder bed fusion-fabricated Ti-6Al-4V alloy was investigated using four-point bending testing. Specifically, the effects of keyhole and lack-of-fusion porosities along with various surface roughness parameters, were evaluated in the context of pore circularity and size using 2D optical metallography. Surface roughness of Sa = 15 to 7 microns was examined by SEM, and the corresponding fatigue performance was found to vary by 102 cycles to failure. The S-N curves for the various defects were also correlated with process window examination in laser beam power-velocity (P-V) space. Basquin's stress-life relation was well fitted to the experimental S-N curves for various process parameters except keyhole porosity, indicating reduced importance for LPBF-fabricated Ti-6Al-4V alloy components.

Dimethyl carbonate synthesis from CO2 and methanol over CeO2: elucidating the surface intermediates and oxygen vacancy-assisted reaction mechanism.

Surface intermediate species and oxygen vacancy-assisted mechanism over CeO2 catalyst in the direct dimethyl carbonate (DMC) synthesis from carbon dioxide and methanol are suggested by means of transient spectroscopic methodologies in conjunction with multivariate spectral analysis. How the two reactants, i.e. CO2 and methanol, interact with the CeO2 surface and how they form decisive surface intermediates leading to DMC are unraveled by DFT-based molecular dynamics simulation by precise statistical sampling of various configurations of surface states and intermediates. The atomistic simulations and uncovered stability of different intermediate states perfectly explain the unique DMC formation profile experimentally observed upon transient operations, strongly supporting the proposed oxygen vacancy-assisted reaction mechanism.

Antimicrobial potential and rhodamine B dye degradation using graphitic carbon nitride and polyvinylpyrrolidone doped bismuth tungstate supported with in silico molecular docking studies.

The environmental-friendly hydrothermal method has been carried out to synthesize Bi2WO6 and g-C3N4/PVP doped Bi2WO6 nanorods (NRs) by incorporating different concentrations of graphitic carbon nitride (g-C3N4) as well as a specified quantity of polyvinylpyrrolidone (PVP). Bi2WO6 doped with g-C3N4 provides structural and chemical stability, reduces charge carriers, degrades dyes, and, owing to lower bandgap energy, is effective for antibacterial, catalytic activity, and molecular docking analysis. The purpose of this research is the treatment of polluted water and to investigate the bactericidal behavior of a ternary system. The catalytic degradation was performed to remove the harmful rhodamine B (RhB) dye using NaBH4 in conjunction with prepared NRs. The specimen compound demonstrated antibacterial activity against Escherichia coli (E. coli) at both high and low concentrations. Higher doped specimens of g-C3N4/PVP-doped Bi2WO6 exhibited a significant improvement in efficient bactericidal potential against E. coli (4.55 mm inhibition zone). In silico experiments were carried out on enoyl-[acylcarrier-protein] reductase (FabI) and ß-lactamase enzyme for E. coli to assess the potential of Bi2WO6, PVP doped Bi2WO6, and g-C3N4/PVP-doped Bi2WO6 NRs as their inhibitors and to justify their possible mechanism of action.

Fast g-C3N4 sonocoated activated carbon for enhanced solar photocatalytic oxidation of organic pollutants through Adsorb & Shuttle process.

To solve low mass transfer in photocatalytic technology for water treatment, the combination of photoactive nanoparticles with highly adsorptive materials has been regarded as a successful approach. The optimization of photoactive particle coating in terms of dispersion on the surface of adsorbing support is the main key to reach a maximum synergism for pollutants removal. This study discusses the coating of as-prepared biomass based activated carbon by g-C3N4 using three routes, namely ball milling (AC-CN@BM), physical stirring (AC-CN@Phy) and ultrasonic assisted coating (AC-CN@US). The coating mechanisms by different processes were discussed using different characterization techniques. Ball milling based coating provides good g-C3N4 dispersion on the surface of AC, however, a partial degradation of g-C3N4 structure and a lower surface area were confirmed by FTIR, XRD and BET analysis. Physically designed sample shows a significant agglomeration of particles on the surface of AC. However, ultrasonic coating provides excellent distribution of g-C3N4 and high surface of the composite. In terms of photoactivity, AC-CN@BM exhibits the lowest adsorption and photocatalytic activity under solar light for the removal of ciprofloxacin. AC-CN@Phy showed medium performance, but less physical stability of g-C3N4 particles on AC, leading to their partial release. AC-CN@US showed the highest efficiency and stability after using; suggesting the good combination between g-C3N4 and AC, which in turn maximizes the removal of ciprofloxacin via Adsorb & shuttle process. The overall costs of composite, including the starting elements and the coating ultrasonic process are relatively low and green as compared to commonly reported routes.

Efficient Dye Degradation and Antibacterial Activity of Carbon Dots/Chitosan-Doped La2O3 Nanorods: In Silico Molecular Docking Analysis.

This work demonstrates the degradation of toxic RhB (rhodamine B) dye from polluted water in various pH environments. It assesses the antibacterial action of CDs (carbon dots)/CS (chitosan)-doped La2O3 (lanthanum oxide) NRs (nanorods). CS and CDs have been introduced as dopants to modify the characteristics of La2O3 to achieve efficient outcomes. The influence of doping on the structural, morphological, optical, and elemental properties of synthesized La2O3 NRs was investigated through a number of analytical techniques. The structural analysis of XRD revealed a hexagonal phase. The rod-like structure of pure La2O3 and reduction in the size of NRs upon doping were exhibited by TEM micrographs. From UV-vis spectroscopy, increased absorption upon doping and introduction of redshift that led to reduced bandgap energy were observed. The FTIR spectra indicate the presence of functional groups of pure and integrated samples. The catalytic activity of specimens in basic medium toward dye showed excellent results (94.57%). The inhibition zone of diameter 4.15 mm was evaluated by 6 mL of CDs/CS-doped La2O3 NRs against Escherichia coli once the surface area increased by dopants. In silico experiments were performed for enoyl-[acyl-carrier-protein] reductase (FabI) and DNA gyrase enzymes to assess the potency of CS-doped La2O3 and CDs/CS-doped La2O3 as their inhibitors and to justify their possible mechanism of action.

"To be, or not be satisfied in NPOs": a serial multiple mediation and clustering analysis of paid staff and volunteers' profiles.

Introduction: Non-profit organizations (NPOs) are a complex working context whose main characteristic resides in the dichotomy between paid staff and volunteers. Despite its benefits for goal achievement, this circumstance can be also a challenge, for both groups' interaction, for their comprehension of their own role and to HR management. The aim of this study was to explore factors that may contribute to promote job satisfaction among NPOs' members. Methods: Combining two different data analyses, serial multiple mediation analyses and cluster analyses, first we analyze whether there are differences between paid staff and volunteers in perceived intrapersonal conflict and performance and its effect on job satisfaction, and second, we analyze whether there is an additional profiles distribution that reflects more adequately the reality of NPOs, despite the formal roles that coexist in these organizations (paid staff and volunteers). Results: Results confirm that paid staff and volunteers differ on their perceived job satisfaction level, with volunteers being more satisfied. This relationship is serially mediated by role conflict, role ambiguity, and performance. Another characteristic of the NPOs is that the dichotomy between paid staff and volunteers does not capture well the reality of the labor relations between members of both groups and the organization. To explore this phenomenon, we perform a cluster analysis based on paid staff and volunteers' perceptions. Cluster analyses demonstrate the existence of three rather homogenous profiles. Discussion: Additionally, practical implications for HR management in NPOs and future research lines to understand this organizational context dynamics are also discussed.

Corrigendum: Strontium-doped chromium oxide for RhB reduction and antibacterial activity with evidence of molecular docking analysis.

[This corrects the article DOI: 10.3389/fchem.2023.1167701.].

Facile Synthesis of Vanadium Oxide/Carbon Spheres-Doped Nickel Oxide Functioned as a Nanocatalyst and Bactericidal Behavior with Molecular Docking Analysis.

Vanadium oxide (V2O5) and carbon spheres (Cs)-doped NiO2 nanostructures (NSs) were prepared using the co-precipitation approach. Several spectroscopic and microscopic techniques, including X-ray diffraction (XRD), UV-vis, FTIR, TEM, and HR-TEM investigations, were used to describe the as-synthesized NSs. The XRD pattern exhibited the hexagonal structure, and the crystallite size of pristine and doped NSs was calculated as 29.3, 32.8, 25.79, and 45.19 nm, respectively. The control sample (NiO2) showed maximum absorption at 330 nm, and upon doping, a redshift was observed, leading to decreased band gap energy from 3.75 to 3.59 eV. TEM of NiO2 shows agglomerated nonuniform nanorods exhibited with various nanoparticles without a specific orientation; a higher agglomeration was observed upon doping. The (4 wt %) V2O5/Cs-doped NiO2 NSs served as superior catalysts with a 94.21% MB reduction in acidic media. The significant antibacterial efficacy was estimated against Escherichia coli by measuring the zone of inhibition (3.75 mm). Besides their bactericidal analysis, V2O5/Cs-doped NiO2 was shown to have a binding score of 6.37 for dihydrofolate reductase and a binding score of 4.31 for dihydropteroate synthase in an in silico docking study of E. coli.

Graphene oxide/polyvinylpyrrolidone-doped MoO3 nanocomposites used for dye degradation and their antibacterial activity: a molecular docking analysis.

In this study, MoO3 nanostructures were prepared, doped with various concentrations of graphene oxide (2 and 4% GO) and a fixed amount of polyvinylpyrrolidone (PVP) using the co-precipitation method. The motive of this study was to examine the catalytic and antimicrobial efficacy with evidential molecular docking analyses of GO/PVP-doped MoO3. GO and PVP were utilized as doping agents to reduce the exciton recombination rate of MoO3 by providing more active sites that increase the antibacterial activity of MoO3. The prepared binary dopant (GO and PVP)-dependent MoO3 was used as an effective antibacterial agent against Escherichia coli (E. coli). Notably, 4% GO/PVP-doped MoO3 showed good bactericidal potential against E. coli at higher concentrations in comparison to ciprofloxacin. Furthermore, in silico docking revealed the possible inhibitory impact of the synthesized nanocomposites on folate and fatty acid synthesis enzymes, dihydrofolate reductase and enoyl-[acyl carrier protein] reductase, respectively.

Valorization of lignocellulosic biomass into sustainable materials for adsorption and photocatalytic applications in water and air remediation.

An exponential rise in global pollution and industrialization has led to significant economic and environmental problems due to the insufficient application of green technology for the chemical industry and energy production. Nowadays, the scientific and environmental/industrial communities push to apply new sustainable ways and/or materials for energy/environmental applications through the so-called circular (bio)economy. One of today's hottest topics is primarily valorizing available lignocellulosic biomass wastes into valuable materials for energy or environmentally related applications. This review aims to discuss, from both the chemistry and mechanistic points of view, the recent finding reported on the valorization of biomass wastes into valuable carbon materials. The sorption mechanisms using carbon materials prepared from biomass wastes by emphasizing the relationship between the synthesis route or/and surface modification and the retention performance were discussed towards the removal of organic and heavy metal pollutants from water or air (NOx, CO2, VOCs, SO2, and Hg0). Photocatalytic nanoparticle-coated biomass-based carbon materials have proved to be successful composites for water remediation. The review discusses and simplifies the most raised interfacial, photonic, and physical mechanisms that might take place on the surface of these composites under light irradiation. Finally, the review examines the economic benefits and circular bioeconomy and the challenges of transferring this technology to more comprehensive applications.

Catalytic ozonation of N-methyldiethanolamine over mixed oxides derived from Mg/Fe-LDH.

The aim of this study was to evaluate the efficiency of catalytic ozonation to increase the degradation of aqueous N-methyldiethanolamine (MDEA) solutions, using two lamellar double hydroxides, namely MgxFe-LDH with x = Mg/Fe = 2, 3, were synthesized by the simple and rapid co-precipitation method. Then, the obtained materials were calcined at 400 °C for 6 h. The calcined products were respectively designated as HTcMg2Fe and HTcMg3Fe, and characterized by powder X-ray diffraction (XRD), N2 physisorption (BET), Fourier transform infrared spectra (FT-IR), and scanning electron microscopy (SEM). The powders produced were used in the ozonation reaction to remove MDEA from aqueous solutions. Experimental results showed that the highest MDEA removal efficiency is in the catalytic ozonation process. Under the optimal conditions for heterogeneous catalytic ozonation of MDEA: initial concentration of 4 Wt% MDEA, 30 °C, catalyst mass of 30 mg/100 ml solution, and contact time of 60 min. The results showed the highest percentage of COD removal, which was up to 80.76% for HTcMg2Fe higher than that of HTcMg3Fe 80.36%.

Functional and physicochemical properties of protein from giant squid (Dosidicus gigas) extracted using foam-aided pH-shift processing.

Jumbo squid (Dosidicus gigas) is a commercially valuable mollusk in Mexico; 80% of its body is edible. Despite the high protein content (∼18%) and low cholesterol content of this species, its high proteolytic activity (microbial and endogenous enzymes) induces protein degradation and consequent reduction in functional properties from a structural viewpoint. Gelation capacity (texture profile of the gels obtained), solubility, water holding capacity, foaming capacity, emulsification capacity, and emulsion stability were evaluated in protein concentrates obtained by foam-aided pH-shift processing: (A) myofibrillar protein extraction with distilled water and no pH-shifting; (B) alkaline solubilization and isoelectric precipitation; (C) acidic solubilization and isoelectric precipitation; and (D) process A and isoelectric precipitation. Process B showed superior gelation capacity, D had high emulsion stability across a wide range of pH values (4.0-8.0) and C lower plate counts of aerobic mesophilic. Therefore, all three alternative extraction processes showed techno-functional advantages. PRACTICAL APPLICATION: Jumbo squid is an abundant protein source in México, most of which is exported. Functional and physicochemical properties of muscle protein were improved by pH-shift processing. The recovered protein showed modifications of technological properties, using one of the methods described can lead to produce a protein extract with the most desirable attributes, such as foaming, emulsifying, or gelling capacities. The functional and physicochemical properties of protein from squid can be enhanced by selecting a certain pH-shift processing, depending on the desirable use. There is a broad perspective on the use of these protein extracts as ingredients or additives.

Effect of Layer Thickness and Heat Treatment on Microstructure and Mechanical Properties of Alloy 625 Manufactured by Electron Beam Powder Bed Fusion.

This research program investigated the effects of layer thickness (50 µm and 100 µm) on the microstructure and mechanical properties of electron beam powder bed fusion (EBPBF) additive manufacturing of Inconel 625 alloy. The as-built 50 µm and 100 µm layer thickness components were also heat treated at temperatures above 1100 °C which produced a recrystallized grain structure containing annealing twins in the 50 µm layer thickness components, and a duplex grain structure consisting of islands of very small equiaxed grains dispersed in a recrystallized, large-grain structure containing annealing twins. The heat-treated components of the microstructures and mechanical properties were compared with the as-built components in both the build direction (vertical) and perpendicular (horizontal) to the build direction. Vickers microindentation hardness (HV) values for the vertical and horizontal geometries averaged 227 and 220 for the as-built 50 µm and 100 µm layer components, respectively, and 185 and 282 for the corresponding heat-treated components. The yield stress values were 387 MPa and 365 MPa for the as-built horizontal and vertical 50 µm layer geometries, and 330 MPa and 340 MPa for the as-built 100 µm layer components. For the heat-treated 50 µm components, the yield stress values were 340 and 321 MPa for the horizontal and vertical geometries, and 581 and 489 MPa for the 100 µm layer components, respectively. The elongation for the 100 µm layer as-built horizontal components was 28% in contrast with 65% for the corresponding 100 µm heat-treated layer components, an increase of 132% for the duplex grain structure.

Linear and non-linear relationships between job demands-resources and psychological and physical symptoms of service sector employees. When is the midpoint a good choice?

Related to the research of working conditions, the link between organizational factors and health was traditionally analyzed using linear models. However, the literature analysis suggests inconsistencies in linear models predicting workers' health levels. To clarify this issue, this exploratory research compares the linear and non-linear relationships between job demands-resources (task complexity, time pressure, contact with users, and job autonomy), and the psychological and physical symptoms of employees working in the main five service subsectors: commerce, horeca (hotels, restaurants, and cafés), public administration, education, and healthcare. With a final sample of 4,047 participants, our study data were extracted from the II Andalusian Working Conditions Survey. Following the theoretical framework of JD-R Model and considering the Vitamin Model theoretical approach for non-linear relationships, our results showed that there were significant differences among the five subsectors analyzed regarding the linear and non-linear relationships between job demands-resources and psychological and physical symptoms of employees. Furthermore, task complexity generated non-linear relationships in higher proportion than time pressure and contact with users. Likewise, non-linear relationships found showed a U-shape. Moreover, the findings of non-linear relationships suggested that medium levels of task complexity should not be exceeded to avoid further negative impact on psychological and physical symptoms for service sector employees, preserving their health. Finally, some general practical implications of work environment interventions are suggested.

Red Light Enhances Plant Adaptation to Spaceflight and Mars g-Levels.

Understanding how plants respond and adapt to extraterrestrial conditions is essential for space exploration initiatives. Deleterious effects of the space environment on plant development have been reported, such as the unbalance of cell growth and proliferation in the root meristem, or gene expression reprogramming. However, plants are capable of surviving and completing the seed-to-seed life cycle under microgravity. A key research challenge is to identify environmental cues, such as light, which could compensate the negative effects of microgravity. Understanding the crosstalk between light and gravity sensing in space was the major objective of the NASA-ESA Seedling Growth series of spaceflight experiments (2013-2018). Different g-levels were used, with special attention to micro-g, Mars-g, and Earth-g. In spaceflight seedlings illuminated for 4 days with a white light photoperiod and then photostimulated with red light for 2 days, transcriptomic studies showed, first, that red light partially reverted the gene reprogramming induced by microgravity, and that the combination of microgravity and photoactivation was not recognized by seedlings as stressful. Two mutant lines of the nucleolar protein nucleolin exhibited differential requirements in response to red light photoactivation. This observation opens the way to directed-mutagenesis strategies in crop design to be used in space colonization. Further transcriptomic studies at different g-levels showed elevated plastid and mitochondrial genome expression in microgravity, associated with disturbed nucleus-organelle communication, and the upregulation of genes encoding auxin and cytokinin hormonal pathways. At the Mars g-level, genes of hormone pathways related to stress response were activated, together with some transcription factors specifically related to acclimation, suggesting that seedlings grown in partial-g are able to acclimate by modulating genome expression in routes related to space-environment-associated stress.

Opponent or allied? An European analysis of the union presence and human resource practices.

Human Resources Practices (HRPs) and unions coexist in some organisations to manage the employment relationships of the workers. In this study, we analyse how the presence/absence of unions and HRPs are combined in private European organisations, and which of these combinations are related to higher levels of wellbeing and the quality of labor relations. Data come from 24,503 workers of private organisations, obtained from the Sixth European Working Conditions Survey. Latent profiles analysis and different analyses of the variance suggested four different profiles. The profile with the greatest presence of HRPs and union presence is related to the highest levels of employees' wellbeing and quality of labor relations in organisations, whereas those organisations with a low level of union presence or HRPs reached the worst levels in employees' wellbeing and quality of labor relations indicators. The results and their practical implications are discussed.

Quantification and Progress Over Time of Specific Antibodies Against Severe Acute Respiratory Syndrome Coronavirus 2 in Breast Milk of Lactating Women Vaccinated With BNT162b2 Pfizer-BioNTech Coronavirus Disease 2019 Vaccine (LacCOVID).

Background: Several observational studies demonstrated the passage of postvaccine antibodies through breast milk in women vaccinated against coronavirus disease 2019 (COVID-19), mostly with messenger RNA (mRNA)-based vaccines, but lacked long-term data. Methods: A 6-month prospective cohort study was performed to determine severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) vaccine-induced antibody levels in the breast milk of 33 lactating healthcare workers at different timepoints after mRNA BNT162b2 Pfizer-BioNTech COVID-19 vaccination. Moreover, we examined the correlation of SARS-CoV-2 antibody levels between serum and breast milk, adverse events related to vaccination, and rate of SARS-CoV-2 infections. Results: Mothers' median age was 38 (interquartile range [IQR], 36-39) years and 15 (IQR, 10-22) months for infants. Median (IQR) SARS-CoV-2 immunoglobulin G (IgG) spike protein subunit S1 (S1) vaccine-induced levels at different timepoints for serum-milk pairs were 519 (234-937) to 1 (0-2.9) arbitrary units (AU)/mL at 2 weeks after first dose and 18 644 (9923-29 264) to 78 (33.7-128), 12 478 (6870-20 801) to 50.4 (24.3-104), 4094 (2413-8480) to 19.9 (10.8-51.9), 1350 (831-2298) to 8.9 (7.8-31.5) AU/mL at 2, 4, 12 and 24 weeks after second dose, respectively. We observed a positive correlation of antibody levels between serum and breast milk, no serious adverse events related to vaccination, and 2 (6%) COVID-19 vaccine breakthrough infections. Conclusions: Women vaccinated with Pfizer-BioNTech transmit antibodies into breast milk with a positive correlation with serum levels. Both decreased over time in a 6-month follow-up.

Factors Associated with Unprotected Anal Sex among Men Who Have Sex with Men in Mexico.

The global prevalence of HIV is notably higher in men who have sex with men (MSM) compared with other male populations. Unprotected anal intercourse is the riskiest sexual behavior for HIV acquisition and/or transmission among this minority population. The purpose of the study was to identify if the syndemic of psychosocial stressors and experienced stigma are predictors of unprotected anal sex in Mexican MSM. A cross-sectional analytic study was carried out. It included adults residing in Manzanillo, Mexico, with oral/anal sex practices within the last year. Informed consent was given by 142 participants selected using snowball sampling. Collected data included sociodemographic characteristics, psychosocial stressors, experienced stigma, HIV knowledge, knowing a friend/acquaintance living with HIV/AIDS, and sexual risk behaviors. Adjusted logistic regression was used to identify predictors of unprotected anal sex within the last six months. Presence of syndemic of psychosocial stressors, drug use during sex, having friends/acquaintances with HIV/AIDS, and experiencing high stigma were positively associated; high level of HIV knowledge was negatively linked. Reducing psychosocial stressors and integrating stigma-mitigation strategies are key elements to reduce HIV transmission.