Miracle-dz/UniFAR-FTUs huggingface dataset:
Sexual behaviour and risk compensation among single women of reproductive age using hormonal contraception in Zambia

Abstract Objective Developing countries have seen an increase in the use of hormonal contraception due to its high efficacy in preventing pregnancy. Our study assessed risk compensation among single women of reproductive age using hormonal contraception. Methods The study used data from a nationally representative, cross-sectional sample of the 2018 Zambia Demographic and Health Survey (DHS). Study participants (N = 2151) were single, sexually active women aged 15–49 years, of whom 595 were using hormonal contraception. Results Hormonal contraception was used by 26% of participants, 81% of whom reported they had not used a condom every time they had sexual intercourse (p < .001). Sexually transmitted infections (STIs) were reported in 4% of hormonal contraceptive users, compared with 2% of non-hormonal contraceptive users (p = .036). The odds of condom use at each occurrence of sexual intercourse were lower for: hormonal contraceptive users (adjusted odds ratio [OR] 0.62; 95% confidence interval [CI] 0.48, 0.80); women aged 15–19 years (adjusted OR 0.62; 95% CI 0.36, 1.08) and 20–24 years (adjusted OR 0.56; 95% CI 0.33, 0.95); women with no education (adjusted OR 0.33; 95% CI 0.16, 0.69) and primary education (adjusted OR 0.62; 95% CI 0.42, 0.94); women in the low wealth quintile (adjusted OR 0.46; 95% CI 0.36, 0.61); and women who had one or more children (adjusted OR 0.59; 95% CI 0.45, 0.77). Conclusion Lack of knowledge about hormonal contraception predisposes women to sexual risk behaviour. As hormonal contraception is very effective in preventing unwanted pregnancy, and condoms are effective in reducing the risk of STI transmission, the use of both (dual protection) should be encouraged.
Study of copper accumulation by the type I methanotroph Methylomicrobium albus BG8

Copper accumulation, which includes both sorption and uptake, has been investigated in the type I methanotroph Methylomicrobium albus BG8 at copper concentrations that were neither growth limiting nor toxic. The disappearance of the cupric ion [Cu2+(H2O)6] from the growth medium was studied using a copper-selective electrode and was compared with total copper accumulation by the cells assayed by inductively coupled plasma/mass spectrometry. The amount of copper accumulated by the cells was related to the cupric ion concentration rather than to that of the total copper added to the growth medium. Copper accumulation demonstrated a hyperbolic dependence on cupric ion concentration, suggesting the saturation of copper binding sites on the cell surface. A mean maximum binding capacity was estimated as 1.54 × 10-15 mol/cell and an apparent half-saturation constant as 1.43 × 10-7 mol/L. Sorption experiments established that most of the copper accumulated by the cells was removable by EDTA. The portion of the co.
Tailored Titanium Dioxide Nanomaterials: Anatase Nanoparticles and Brookite Nanorods as Highly Active Photocatalysts

High quality brookite TiO2 nanorods have been obtained by the thermal hydrolysis of commercially available aqueous solutions of titanium bis(ammonium lactate) dihydroxide in the presence of high concentrations of urea (≥6.0 M) as an in situ OH− source. Biphasial anatase/brookite mixtures are obtained at lower urea concentrations. The ratios between anatase and brookite can readily be tailored by the control of the urea concentration. The obtained powders have been characterized by X-ray diffraction, Raman spectroscopy, field emission-scanning electron microscopy, high-resolution transmission electron microscopy, UV−vis diffuse reflectance spectra, and nitrogen adsorption. The photocatalytic activity of pure anatase nanoparticles, of anatase/brookite mixtures, and of pure brookite nanorods has been assessed by hydrogen evolution from aqueous methanol solution as well as by the degradation of dichloroacetic acid (DCA) in aqueous solution. The results indicate that the photocatalytic hydrogen evolution activ.
Experiences of women with ovarian cancer during the COVID-19 pandemic: Examining intolerance of uncertainty and fear of COVID-19 in relation to psychological distress

Abstract Purpose Our research aimed to examine the role of intolerance of uncertainty (IU) in psychological distress (PD) among women with ovarian cancer. Fear of COVID-19 (FCOV) was examined as a mediator, and participant health status and the reopening status of their geographic region were examined as moderators. Design A cross-sectional quantitative design was employed. Participants Participants (n = 100) were recruited through various online sources and completed the study via Qualtrics. Methods Moderated mediation models and post-hoc linear regression analyses were used to determine the role of predictor variables in PD. Results No significant moderators or mediators were found. Despite a strong correlation between FCOV and IU, both variables explained unique variance in the anxiety and stress models, while FCOV was not significant in the depressive symptoms model. Implications for Providers Both IU and FCOV should be considered in helping women with ovarian cancer manage their PD during the COVID-19 pandemic.
Effects of in utero and lactational exposure to the no-observed-adverse-effect level (NOAEL) dose of the neonicotinoid clothianidin on the reproductive organs of female mice

Recently, developmental exposure to clothianidin (CLO) has been shown to cause reproductive toxicity in male mice, but the effects in female mice remain to be clarified. Pregnant C57BL/6N mice were given a no-observed-adverse-effect-level (NOAEL) dose of CLO until weaning. We then examined ovaries of 3- or 10-week-old female offspring. In the CLO-administered group, morphological changes, a decrease in the immunoreactivity of the antioxidant enzyme glutathione peroxidase 4 (GPx4), and activation of genes in the steroid hormone biosynthesis pathway were observed in 3-week-old mice, and decreases of GPx4 immunoreactivity, 17OH-progesterone and corticosterone levels were observed in 10-week-old mice, along with high rates of infanticide and severe neglect, providing new evidence that developmental exposure to CLO affects juvenile and adult mice differently.
Characteristics of gut microbiota in pigs with different breeds, growth periods and genders

Gut microbiota plays important roles in host nutrition, metabolism and immunity, and is affected by multiple factors. However, the understandings of the gut microbiota in pigs within different breeds, growth periods and genders from a large cohort remain largely undefined. In the present study, the characteristics of the gut microbiota in 120 pigs of different breeds, growth periods and genders were investigated using the Illumina MiSeq PE300 combined with QIIME2 platform. A total of 7 388 636 raw reads and 16 411 features were obtained. Additionally, the microbial diversity, compositions and phenotypes were described. 66.53% microbiota belonged to the top 10 most abundant genera (pan gut bacteria), and 28 species were commonly identified (core gut bacteria, commonality ≥ 75%) among the pigs. Besides, the correlations within pan and core gut microbiota were firstly investigated. The metagenomic function was predicted by using PICRUSt2. Furthermore, the explanatory effects of the influencing factors suggested that growth period was the greatest contributor to the gut microbiota in pigs. These results expanded our knowledge of mammalian gut microbiota within different influencing factors and microbial‐related biological features in swine, which contributes to improving animal production and assisting animal model research.
A Computational and Conceptual DFT Study on the Michaelis Complex of pI258 Arsenate Reductase. Structural Aspects and Activation of the Electrophile and Nucleophile

The first step in the reduction of arsenate to arsenite catalyzed by the enzyme arsenate reductase (ArsC) from Staphylococcus aureus plasmid pI258 involves the nucleophilic attack of a cysteine thiolate (Cys10) on the arsenic atom, leading to a covalent sulfur−arseno intermediate. We present a quantum chemical study on the onset of the nucleophilic displacement reaction. To optimize the reactant state geometry, a density functional study was performed on Cys10, on dianionic arsenate, and on the catalytic site sequence motif: X-X-Asn13-X-X-Arg16-Ser17. Both the hydrogen bond from Arg16 to the leaving hydroxyl group of arsenate and the hydrogen bonds from various backbone amide nitrogens of the catalytic site to the other oxygen atoms of arsenate are responsible for the increased electrophilicity of the central arsenic atom. In particular, Arg16 is identified as a residue that destabilizes the groundstate of the complex. Furthermore, the binding of dianionic arsenate to the enzyme induces negative charge t.
Is Chronic Exposure to Raw Water a Possible Risk Factor for Amyotrophic Lateral Sclerosis? A Pilot Case-Control Study

Background: The etiopathogenesis of amyotrophic lateral sclerosis (ALS) is still largely unknown. Methods: We performed a case-control study (33 cases and 35 controls) in Umbria, Italy. We investigated associations between common lifestyle, clinical factors, as well as environmental exposures potentially implicated with ALS onset. Face-to-face interviews were carried out. All cases were recruited and diagnosed according to El Escorial criteria. Case-control comparisons were made for educational and residential status, occupational exposures, and clinical and lifestyle factors prior to cases’ dates of diagnosis. Results: Our results showed an increased risk of ALS for subjects chronically exposed to raw water use (odds ratio (OR) = 6.55, 95% confidence interval (CI): 2.24–19.12). Garden activities showed a tight association with ALS as well, very likely as a consequence of chronic raw water exposure. Indeed, we could exclude an impact for pesticides, as no significant differences were observed in pesticide exposure in the two groups interviewed. However, cases were more often exposed to fertilizers. After adjustment for age, sex, and heavy physical activities, exposure to raw water was still associated with increased ALS risk (OR = 4.74, 95% CI: 1.33–16.85). Discussion: These findings suggest an association between ALS and exposure to raw water, which should be further investigated for the presence of chemicals interfering with nervous system functionality.
Women after Bilateral Surgical Correction of Hallux Valgus Do not Show Improvement in Spatiotemporal Gait Parameters at 18 Weeks Postoperatively

Background: Hallux valgus (HV) is a gait-altering orthopedic deformity, somewhat more prevalent in women, which often affects both limbs. Although surgery is a commonly applied treatment, there is no consensus in the literature on how invasive HV correction affects spatiotemporal gait parameters, or how quickly improvement can be expected. We investigated gait parameters in female HV patients who underwent bilateral surgical correction of hallux valgus, both preoperatively and 18 weeks following surgery (a timeframe relevant from the perspective of physical therapy), and also in relation to a non-HV control group. Methods: A total of 23 women aged 40–70 years, with moderate to severe HV deformity in both feet, were assessed preoperatively and 18 weeks postoperatively, and an age-matched control group of 76 healthy women was also assessed. A total of 22 spatiotemporal parameters were collected during 30 s walks over an electronic walkway (Zebris Medical System). Results: Of the 22 parameters analyzed, significant differences between the preoperative experimental and control groups were found only in 4 parameters (Velocity, Right step time, Total double support and Stride time), but in 16 parameters between the postoperative experimental and control groups (the greatest impact being found for: Left and Right Step time, Stride time, Cadence, Right Foot rotation, Left Step length (% leg length) and Stride length (% leg length)). Conclusions: Women after bilateral HV correction did not exhibit improved (i.e., more normal) gait parameters at 18 weeks postoperatively; rather, they showed more gait abnormalities than preoperatively. These findings urge longer-term planning of postoperative rehabilitation, involving continual evaluation of gait improvement.
Improving the activity and thermostability of GH2 β‐glucuronidases via domain reassembly

Glycoside hydrolase family 2 (GH2) enzymes are generally composed of three domains: TIM‐barrel domain (TIM), immunoglobulin‐like β‐sandwich domain (ISD), and sugar‐binding domain (SBD). The combination of these three domains yields multiple structural combinations with different properties. Theoretically, the drawbacks of a given GH2 fold may be circumvented by efficiently reassembling the three domains. However, very few successful cases have been reported. In this study, we used six GH2 β‐glucuronidases (GUSs) from bacteria, fungi, or humans as model enzymes and constructed a series of mutants by reassembling the domains from different GUSs. The mutants PGUS‐At, GUS‐PAA, and GUS‐PAP, with reassembled domains from fungal GUSs, showed improved expression levels, activity, and thermostability, respectively. Specifically, compared to the parental enzyme, the mutant PGUS‐At displayed 3.8 times higher expression, the mutant GUS‐PAA displayed 1.0 time higher catalytic efficiency (kcat/Km), and the mutant GUS‐PAP displayed 7.5 times higher thermostability at 65°C. Furthermore, two‐hybrid mutants, GUS‐AEA and GUS‐PEP, were constructed with the ISD from a bacterial GUS and SBD and TIM domain from fungal GUSs. GUS‐AEA and GUS‐PEP showed 30.4% and 23.0% higher thermostability than GUS‐PAP, respectively. Finally, molecular dynamics simulations were conducted to uncover the molecular reasons for the increased thermostability of the mutant.
The experience and acceptability of smartphone reminder app training for people with acquired brain injury: a mixed methods study

ABSTRACT Smartphones are useful compensatory memory aids, yet training on how to use them is seldom offered as part of rehabilitation for acquired brain injuries (ABIs). We aimed to explore the experience and acceptability of a smartphone training intervention in 26 people with ABI who participated in a pilot randomized controlled trial comparing three skills training approaches. Participants completed questionnaire ratings and a semi-structured interview, six weeks post-training. Most participants rated the training as enjoyable (80.8%) and reasonable in duration (88.5%). Others reported that more than one training session was needed to learn the app (34.6%). Five themes were identified from qualitative data through thematic analysis: (1) Attitudes and pre-existing factors, (2) Experiencing the intervention, (3) Tailoring the intervention to the individual, (4) Facilitators and barriers to implementation and (5) Enhancing smartphone use in everyday life. These themes were juxtaposed with a theoretical framework of acceptability, which indicated that some elements (e.g., having a structured session and a supportive trainer) contributed to the acceptability of the intervention by minimizing training burden and increasing self-efficacy. Tailoring the training to the individual’s technological skills and lifestyle, providing post-training resources and involving family members were identified as factors that could improve intervention acceptability.
Mycobacterial and Human Ferrous Nitrobindins: Spectroscopic and Reactivity Properties

Structural and functional properties of ferrous Mycobacterium tuberculosis (Mt-Nb) and human (Hs-Nb) nitrobindins (Nbs) were investigated. At pH 7.0 and 25.0 °C, the unliganded Fe(II) species is penta-coordinated and unlike most other hemoproteins no pH-dependence of its coordination was detected over the pH range between 2.2 and 7.0. Further, despite a very open distal side of the heme pocket (as also indicated by the vanishingly small geminate recombination of CO for both Nbs), which exposes the heme pocket to the bulk solvent, their reactivity toward ligands, such as CO and NO, is significantly slower than in most hemoproteins, envisaging either a proximal barrier for ligand binding and/or crowding of H2O molecules in the distal side of the heme pocket which impairs ligand binding to the heme Fe-atom. On the other hand, liganded species display already at pH 7.0 and 25 °C a severe weakening (in the case of CO) and a cleavage (in the case of NO) of the proximal Fe-His bond, suggesting that the ligand-linked movement of the Fe(II) atom onto the heme plane brings about a marked lengthening of the proximal Fe-imidazole bond, eventually leading to its rupture. This structural evidence is accompanied by a marked enhancement of both ligands dissociation rate constants. As a whole, these data clearly indicate that structural–functional relationships in Nbs strongly differ from what observed in mammalian and truncated hemoproteins, suggesting that Nbs play a functional role clearly distinct from other eukaryotic and prokaryotic hemoproteins.
Associations of Metabolic Genes (GSTT1, GSTP1, GSTM1) and Blood Mercury Concentrations Differ in Jamaican Children with and without Autism Spectrum Disorder

We investigated interactive roles of three metabolic glutathione S-transferase (GST) genes (GSTP1, GSTT1, and GSTM1) and autism spectrum disorder (ASD) status in relation to blood Hg concentrations (BHC) of Jamaican children. We used data from 266 children (2-8 years) with ASD and their 1:1 age- and sex-matched typically developing (TD) controls. After adjusting General Linear Models for child’s age, socioeconomic status, consumption of leafy vegetables, fried plantain, canned fish, and the interaction between GSTP1 and GSTT1, we found significant interactions between GSTP1 and ASD status in relation to BHC either in a co-dominant or dominant genetic model for GSTP1(P < 0.001, P = 0.007, respectively). In the co-dominant model for the Ile105Val GSTP1 polymorphism, geometric mean (GM) BHC in ASD cases with genotype Ile/Ile were significantly higher than in cases with the Ile/Val genotype (0.73 vs. 0.48 µg/L, P = 0.01). In contrast, in TD controls with the Ile/Val genotype GM BHC were significantly higher than in those with the Ile/Ile genotype (0.72 vs. 0.49 µg/L, P = 0.03) or the Val/Val genotype (0.72 vs. 0.51 µg/L, P = 0.04). Although our findings are consistent with the role of GSTP1 in detoxification of Hg, replication in other populations is warranted.
Choline and Folic Acid in Diets Consumed during Pregnancy Interact to Program Food Intake and Metabolic Regulation of Male Wistar Rat Offspring.

BACKGROUND North American women consume high folic acid (FA), but most are not meeting the adequate intakes for choline. High-FA gestational diets induce an obesogenic phenotype in rat offspring. It is unclear if imbalances between FA and other methyl-nutrients (i.e., choline) account for these effects. OBJECTIVE This study investigated the interaction of choline and FA in gestational diets on food intake, body weight, one-carbon metabolism, and hypothalamic gene expression in male Wistar rat offspring. METHODS Pregnant Wistar rats were fed an AIN-93G diet with recommended choline and FA [RCRF; 1-fold, control] or high (5-fold) FA with choline at 0.5-fold [low choline and high folic acid (LCHF)], 1-fold [recommended choline and high folic acid (RCHF)], or 2.5-fold [high choline and high folic acid (HCHF)]. Male offspring were weaned to an RCRF diet for 20 wk. Food intake, weight gain, plasma energy-regulatory hormones, brain and plasma one-carbon metabolites, and RNA sequencing (RNA-seq) in pup hypothalamuses were assessed. RESULTS Adult offspring from LCHF and RCHF, but not HCHF, gestational diets had 10% higher food intake and weight gain than controls (P < 0.01). HCHF newborn pups had lower plasma insulin and leptin compared with LCHF and RCHF pups (P < 0.05), respectively. Pup brain choline (P < 0.05) and betaine (P < 0.01) were 22-33% higher in HCHF pups compared with LCHF pups; methionine was ∼23% lower after all high FA diets compared with RCRF (P < 0.01). LCHF adult offspring had lower brain choline (P < 0.05) than all groups and lower plasma 5-methyltetrahydrofolate (P < 0.05) than RCRF and RCHF groups. HCHF adult offspring had lower plasma cystathionine (P < 0.05) than LCHF adult offspring and lower homocysteine (P < 0.01) than RCHF and RCRF adult offspring. RNA-seq identified 144 differentially expressed genes in the hypothalamus of HCHF newborns compared with controls. CONCLUSIONS Increased choline in gestational diets modified the programming effects of high FA on long-term food intake regulation, plasma energy-regulatory hormones, one-carbon metabolism, and hypothalamic gene expression in male Wistar rat offspring, emphasizing a need for more attention to the choline and FA balance in maternal diets.
Epigenetics: New Insights into Mammary Gland Biology

The mammary gland undergoes important anatomical and physiological changes from embryogenesis through puberty, pregnancy, lactation and involution. These steps are under the control of a complex network of molecular factors, in which epigenetic mechanisms play a role that is increasingly well described. Recently, studies investigating epigenetic modifications and their impacts on gene expression in the mammary gland have been performed at different physiological stages and in different mammary cell types. This has led to the establishment of a role for epigenetic marks in milk component biosynthesis. This review aims to summarize the available knowledge regarding the involvement of the four main molecular mechanisms in epigenetics: DNA methylation, histone modifications, polycomb protein activity and non-coding RNA functions.
Gelatin/poly(vinyl alcohol) based hydrogel film – A potential biomaterial for wound dressing: Experimental design and optimization followed by rotatable central composite design

The development of hydrogel films for biomedical applications is interesting due to their characteristics. Hydrogel films based on gelatin and poly(vinyl alcohol) (PVA) are developed and characterized using a rotatable central composite design. The optimized hydrogel film is obtained by the function desirability of the Statistica® software and is also characterized by swelling kinetics, oxygen permeability, adhesiveness, TGA, DSC, and XRD. The results of the experimental design show that gelatin and PVA concentrations have a significant influence on the response variables, and the exposure doses to UV light show no significant effect. The optimized hydrogel film is elastic, presents good mechanical resistance and swelling capacity in water and exudate solution, is permeable to oxygen, and is capable of adjusting itself and maintains contact close to the skin. In this way, considering all the properties evaluated, the optimized film has characteristics suitable for biomedical applications as wound dressings.