bluuebunny/crossref_metadata_2025 huggingface dataset:
Exploring Intra- and Intermolecular Interactions in Selected N-Oxides—The Role of Hydrogen Bonds
Authors: Jezierska Aneta , Panek Jarosław J. , Błaziak Kacper , Raczyński Kamil , Koll Aleksander
Published: January 2022

Intra- and intermolecular interactions have been explored in selected N-oxide derivatives: 2-(N,N-dimethylamino-N-oxymethyl)-4,6-dimethylphenyl (1) and 5,5’-dibromo-3-diethylaminomethyl-2,2’-biphenol N-oxide (2). Both compounds possess intramolecular hydrogen bonding, which is classified as moderate in 1 and strong in 2, and resonance-assisted in both cases. Density Functional Theory (DFT) in its classical formulation as well as Time-Dependent extension (TD-DFT) were employed to study proton transfer phenomena. The simulations were performed in the gas phase and with implicit and explicit solvation models. The obtained structures of the studied N-oxides were compared with experimental data available. The proton reaction path was investigated using scan with an optimization method, and water molecule reorientation in the monohydrate of 1 was found upon the proton scan progress. It was found that spontaneous proton transfer phenomenon cannot occur in the electronic ground state of the compound 1. An opposite situation was noticed for the compound 2. The changes of nucleophilicity and electrophilicity upon the bridged proton migration were analyzed on the basis of Fukui functions in the case of 1. The interaction energy decomposition of dimers and microsolvation models was investigated using Symmetry-Adapted Perturbation Theory (SAPT). The simulations were performed in both phases to introduce polar environment influence on the interaction energies. The SAPT study showed rather minor role of induction in the formation of homodimers. However, it is worth noticing that the same induction term is responsible for the preference of water molecules’ interaction with N-oxide hydrogen bond acceptor atoms in the microsolvation study. The Natural Bond Orbital (NBO) analysis was performed for the complexes with water to investigate the charge flow upon the polar environment introduction. Finally, the TD-DFT was applied for isolated molecules as well as for microsolvation models showing that the presence of solvent affects excited states, especially when the N-oxide acceptor atom is microsolvated.
Evaluation of the Potential of a Lectin Extracted from Polygonumpersicaria L. as a Biorational Agent against Sitophilusoryzae L.
Authors: Khoobdel Mehdi , Rahimi Vahid , Ebadollahi Asgar , Krutmuang Patcharin
Published: January 2022

Rice weevil, Sitophilus oryzae L. (Coleoptera: Curculionidae), is one of the most destructive stored-product pests that is resistant to a wide range of chemical insecticides. In the present study, we investigated whether a lectin extracted from Polygonum persicaria L. (PPA) can be used as a biorational agent to control such insect pests. Along with the lethal digestive assay, the sub-lethal insecticidal activities of PPA, including the effects on digestive, detoxifying, and antioxidant enzyme activities, were evaluated against S. oryzae adults. The effect of feeding a diet containing PPA and carob extract as a food attractant on the mortality of S. oryzae adults was also investigated. Feeding on the diet containing PPA resulted in a significant mortality of S. oryzae adults with a LC50 (Lethal Concentration to kill 50% of insects) of 3.68% (w/w). The activity of digestive enzymes, including α-amylase, α-glucosidase, TAG-lipase, trypsin, chymotrypsin, elastase, and carboxy- and aminopeptidase, were decreased by the sub-lethal concentration of PPA. Detoxifying and antioxidant enzymes, including esterase, superoxide dismutase, catalase, glutathione-S-transferase, ascorbate peroxidase, glucose 6-phosphate dehydrogenase, and malondialdehyde, were activated in adults affected by PPA. These findings indicated that PPA, in addition to causing digestive disorders, leads to oxidative stress in S. oryzae. The presence of carob extract had no effect on the PPA-induced mortality of the insect. According to the results of the present study, PPA has promising insecticidal efficiency against S. oryzae. In addition, the usage of PPA with a food attractant carob extract in bait traps can be recommended as a new biorational formulation in S. oryzae management.
Durability of Cellulosic-Fiber-Reinforced Geopolymers: A Review
Authors: Liu Jie , Lv Chun
Published: January 2022

Geopolymers have high early strength, fast hardening speed and wide sources of raw materials, and have good durability properties such as high temperature resistance and corrosion resistance. On the other hand, there are abundant sources of plant or cellulose fibers, and it has the advantages of having a low cost, a light weight, strong adhesion and biodegradability. In this context, the geopolymer sector is considering cellulose fibers as a sustainable reinforcement for developing composites. Cellulosic-fiber-reinforced geopolymer composites have broad development prospects. This paper presents a review of the literature research on the durability of cellulosic-fiber-reinforced geopolymer composites in recent years. In this paper, the typical properties of cellulose fibers are summarized, and the polymerization mechanism of geopolymers is briefly discussed. The factors influencing the durability of cellulosic-fiber-reinforced geopolymer composites were summarized and analyzed, including the degradation of fibers in a geopolymer matrix, the toughness of fiber against matrix cracking, the acid resistance, and resistance to chloride ion penetration, high temperature resistance, etc. Finally, the influence of nanomaterials on the properties of geopolymer composites and the chemical modification of fibers are analyzed, and the research on cellulosic-fiber-reinforced geopolymer composites is summarized.
Expression and Surface Display of an Acidic Cold-Active Chitosanase in Pichia pastoris Using Multi-Copy Expression and High-Density Cultivation
Authors: Peng Yanhong , Wang Yaping , Liu Xiaoyan , Zhou Ronghua , Liao Xianqing , Min Yong , Ma Lixin , Wang Ying , Rao Ben
Published: January 2022

Chitosanase hydrolyzes β-(1,4)-linked glycosidic bonds are used in chitosan chains to release oligosaccharide mixtures. Here, we cloned and expressed a cold-adapted chitosanase (CDA, Genbank: MW094131) using multi-copy expression plasmids (CDA1/2/3/4) in Pichia pastoris. We identified elevated CDA expression levels in multi-copy strains, with strain PCDA4 selected for high-density fermentation and enzyme-activity studies. The high-density fermentation approach generated a CDA yield of 20014.8 U/mL, with temperature and pH optimization experiments revealing the highest CDA activity at 20 °C and 5.0, respectively. CDA was stable at 10 °C and 20 °C. Thus, CDA could be used at low temperatures. CDA was then displayed on P. pastoris using multi-copy expression plasmids. Then, multi-copy strains were constructed and labelled as PCDA(1-3)-AGα1. Further studies showed that the expression of CDA(1-3)-AGα1 in multi-copy strains was increased, and that strain PCDA3-AGα1 was chosen for high-density fermentation and enzyme activity studies. By using a multi-copy expression and high-density fermentation approach, we observed CDA-AGα1 expression yields of 102415 U/g dry cell weight. These data showed that the displayed CDA exhibited improved thermostability and was more stable over wider temperature and pH ranges than free CDA. In addition, displayed CDA could be reused. Thus, the data showed that displaying enzymes on P. pastoris may have applications in industrial settings.
2-Hydroxyestradiol Overcomes Mesenchymal Stem Cells-Mediated Platinum Chemoresistance in Ovarian Cancer Cells in an ERK-Independent Fashion
Authors: Khamaisi Hazem , Mahmoud Hatem , Mahajna Jamal
Published: January 2022

Ovarian cancer (OC) is the second most common type of gynecological malignancy. Platinum (Pt)-based chemotherapy is the standard of care for OC, but toxicity and acquired chemoresistance has proven challenging. Recently, we reported that sensitivity to platinum was significantly reduced in a co-culture of OC cells with MSC. To discover compounds capable of restoring platinum sensitivity, we screened a number of candidates and monitored ability to induce PARP cleavage. Moreover, we monitored platinum uptake and expression of ABC transporters in OC cells. Our results showed that 2-hydroxyestradiol (2HE2), a metabolite of estradiol, and dasatinib, an Abl/Src kinase inhibitor, were significantly effective in overcoming MSC-mediated platinum drug resistance. Dasatinib activity was dependent on ERK1/2 activation, whereas 2HE2 was independent of the activation of ERK1/2. MSC-mediated platinum drug resistance was accompanied by reduced intracellular platinum concentrations in OC cells. Moreover, MSC co-cultured with OC cells resulted in downregulation of the expression of cellular transporters required for platinum uptake and efflux. Exposure to 2HE2 and other modulators resulted in an increase in intracellular platinum concentrations. Thus, 2HE2 and dasatinib might act as sensitizers to restore platinum drug sensitivity to OC cells and thus to limit TME-mediated chemoresistance in OC.
The Pedagogical Value of Creating Accessible Games: A Case Study with Higher Education Students
Authors: Sousa Carla , Neves José Carlos , Damásio Manuel José
Published: January 2022

The potential of games in empowering underrepresented groups is a central theme in the field of media studies. However, to ensure that everyone can benefit from them, it is necessary to ensure that they are inclusive and accessible. In the present work, we have implemented a Participatory Action Research (PAR) approach to target this problem, right at the stage of training new game designers and game developers. Thus, through a game-design-based or experimental game design pedagogical approach, we intended to promote inclusive and accessibility-driven game design and development skills in students, while decreasing their negative attitudes towards people with Intellectual Disability (pwID). A protocol with a Non-Governmental Organization in the field was established and, during two semesters, students were challenged to develop 10 accessible games and physical interfaces for pwID and motor disabilities, through participatory processes. Pre and post assessment was conducted, through a mixed-method approach. After participating in this process, students reported satisfaction and increased knowledge of cognitive and motor accessibility, and inclusive game design in general. Moreover, the attitudinal assessment showed significantly lower levels of prejudiced beliefs towards pwID (p < 0.05).
Punicalagin and Ketogenic Amino Acids Loaded Organic Lipid Carriers Enhance the Bioavailability, Mitochondrial β-Oxidation, and Ketogenesis in Maturing Adipocytes
Authors: Subash-Babu Pandurangan , Al-Numair Nouf , Almuzaini Tahani , Athinarayanan Jegan , Alshatwi Ali Abdullah
Published: January 2022

The identification of lipolytic bioactive compounds via the functional stimulation of carbohydrate response element-binding protein-1 (CREBp-1) and AMP-activated protein kinase (AMPK) is most warranted. Nano lipid carriers (NLCs) are currently being considered within drug delivery development as they facilitate controlled drug release and have intracellular bioavailability after encapsulating the active principles with lipid matrix. The present study has been designed to synthesize punicalagin, and ketogenic amino acids (KAA) loaded with organic lipid carriers to optimize the liposome-assisted intracellular delivery’s bioavailability. Punicalagin (PUNI) and KAA (tryptophan, methionine, threonine, lysine, and leucine) were encapsulated with chia seed phospholipids by homogenization, emulsification, and cold ultra-sonication method to obtain nano lipid carriers (NLC). The physicochemical characterization of NLCs has been carried out using Zetasizer, FT-IR, and TEM analysis. Punicalagin and ketogenic amino acid-loaded NLCs (NLC-PUNI-KAA) were identified with an average diameter of 240 to 800 nm. The biosafety of NLC-PUNI-KAA has been evaluated in human mesenchymal stem cells. PI staining confirmed that a 0.4, 0.8 or 1.6μg/dL dose of NLC-PUNI-KAA potentially maintains nuclear integration. NLC-PUNI-KAA treated with maturing adipocytes decreased lipid accumulation and significantly increased the gene expression levels of fatty acid beta-oxidation (PPARγC1α, UCP-1 and PRDM-16) pathways when compared to free PUNI (5 μg/dL) treatment. The lipolytic potential has been confirmed by the functional activation of AMPK and CREBp-1 protein levels. In conclusion, NLC-PUNI-KAA treatment effectively increased mitochondrial efficiency more than free punicalagin or orlistat treated maturing adipocyte. Enhanced lipolysis and decreased hypertrophic adipocyte resulted in decreased adipokine secretion, which has been associated with the suppression of obesity-associated comorbidities and vascular cell inflammation. The bioefficacy and lipolytic potential of water-soluble punicalagin have been improved after functional modification into NLCs.
Surface Plasmon Enhancement of an InGaN Quantum Well Using Nanoparticles Made of Different Metals and Their Combinations
Authors: Saleem Muhammad Farooq , Peng Yi , Li Liuyan , Zhou Bangdi , Yang Jia , Lu Haixia , Li Guoxin , Huang Lixiang , Chen Jie , Wei Wenwang , Yang Yanlian , Wang Yukun , Sun Wenhong
Published: January 2022

Surface plasmon (SP) enhancement of photoluminescence (PL) from a green-emitting InGaN/GaN quantum well (QW) using nanoparticles (NPs) made of different metals and their combinations was investigated. The NPs were formed by annealing the metal films in N2 followed by rapid cooling. Four-fold enhancement in PL intensity was achieved using random metal NPs made of Cu on Mg (Cu-Mg) double metal film that was more than two folds of the enhancement observed by AgNPs. Reversing the order of metal film deposition (Mg on Cu) resulted in much lower PL intensity due to significantly different NPs size distribution as the given annealing conditions did not cause homogeneous alloying of the two metals. The results pave the way for the application of NPs of relatively low-cost unconventional metals and their combinations in the SP enhancement of LEDs.
High-Performance Photodetectors Based on the 2D SiAs/SnS2 Heterojunction
Authors: Sun Yinchang , Xie Liming , Ma Zhao , Qian Ziyue , Liao Junyi , Hussain Sabir , Liu Hongjun , Qiu Hailong , Wu Juanxia , Hu Zhanggui
Published: January 2022

Constructing 2D heterojunctions with high performance is the critical solution for the optoelectronic applications of 2D materials. This work reports on the studies on the preparation of high-quality van der Waals SiAs single crystals and high-performance photodetectors based on the 2D SiAs/SnS2 heterojunction. The crystals are grown using the chemical vapor transport (CVT) method and then the bulk crystals are exfoliated to a few layers. Raman spectroscopic characterization shows that the low wavenumber peaks from interlayer vibrations shift significantly along with SiAs’ thickness. In addition, when van der Waals heterojunctions of p-type SiAs/n-type SnS2 are fabricated, under the source-drain voltage of −1 V–1 V, they exhibit prominent rectification characteristics, and the ratio of forwarding conduction current to reverse shutdown current is close to 102, showing a muted response of 1 A/W under excitation light of 550 nm. The light responsivity and external quantum efficiency are increased by 100 times those of SiAs photodetectors. Our experimental results enrich the research on the IVA–VA group p-type layered semiconductors.
Phyto-Capped Ag Nanoparticles: Green Synthesis, Characterization, and Catalytic and Antioxidant Activities
Authors: Kordy Mohamed G. M. , Abdel-Gabbar Mohammed , Soliman Hanan A. , Aljohani Ghadah , BinSabt Mohammad , Ahmed Inas A. , Shaban Mohamed
Published: January 2022

Using a simple approach, silver nanoparticles (Ag NPs) were synthesized from green coffee bean extract. The optical color change from yellowish to reddish-brown of the green-produced Ag NPs was initially observed, which was confirmed by the UV-Visible spectrophotometer’s surface plasmonic resonance (SPR) bands at 329 and 425 nm. The functional groups of green coffee-capped Ag NPs (GC-capped Ag NPs) were studied using a Fourier transform infrared spectrometer, revealing that Ag NPs had been capped by phytochemicals, resulting in excellent stability, and preventing nanoparticle aggregation. The presence of elemental silver is confirmed by energy dispersive X-ray analysis. In addition to the measurement of the zeta potential of the prepared GC-capped Ag NPs, the size distribution is evaluated by the dynamic light scattering. Depending on the nano-morphological study, the particle diameter of Ag NPs is 8.6 ± 3.5 nm, while the particle size of GC-capped Ag NPs is 29.9 ± 4.3 nm, implying the presence of well-dispersed nanospheres with an average capsulation layer of thickness 10.7 nm. The phyto-capped Ag NPs were found to be crystalline, having a face-centered cubic (FCC) lattice structure and Ag crystallite size of ~7.2 nm, according to the XRD crystallographic analysis. The catalytic performance of phyto-capped Ag NPs in the removal of methylene blue dye by sodium borohydride (NaBH4) was investigated for 12 min to reach a degradation efficiency of approximately 96%. The scavenging activities of 2,2-Diphenyl-1-picrylhydrazyl (DPPH) free radicals are also examined in comparison to previously reported Ag-based nano-catalysts, demonstrating a remarkable IC50 of 26.88 µg/mL, which is the first time it has been recorded.
Lipid Nanomaterials for Targeted Delivery of Dermocosmetic Ingredients: Advances in Photoprotection and Skin Anti-Aging
Authors: Souto Eliana B. , Jäger Eliézer , Jäger Alessandro , Štěpánek Petr , Cano Amanda , Viseras Cesar , de Melo Barbosa Raquel , Chorilli Marlus , Zielińska Aleksandra , Severino Patricia , Naveros Beatriz C.
Published: January 2022

Despite the health benefits of the sun, overexposure to solar radiation without proper precautions can cause irreversible damage to exposed skin. In the search for balance between the risks and benefits of exposure to solar radiation in human health, a technological alternative was found, the incorporation of photoprotective products in lipid nanoparticulate systems for topical application. These nanometric systems have demonstrated several advantages when used as adjuvants in photoprotection compared to chemical and/or physical sunscreens alone. The increase in the sun protection factor (SPF), photostability and UV action spectrum are parameters that have benefited from the application of these systems in order to increase the effectiveness and safety of photoprotective formulations containing organic and/or inorganic sunscreens.
Synthesis and Application of Cobalt Oxide (Co3O4)-Impregnated Olive Stones Biochar for the Removal of Rifampicin and Tigecycline: Multivariate Controlled Performance
Authors: El-Shafie Ahmed S. , Ahsan Insharah , Radhwani Mohamed , Al-Khangi Mohammed Ali , El-Azazy Marwa
Published: January 2022

Cobalt oxide (Co3O4) nanoparticles supported on olive stone biochar (OSBC) was used as an efficient sorbent for rifampicin (RIFM) and tigecycline (TIGC) from wastewater. Thermal stabilities, morphologies, textures, and surface functionalities of two adsorbents; OSBC and Co-OSBC were compared. BET analysis indicated that Co-OSBC possesses a larger surface area (39.85 m2/g) and higher pore-volume compared to the pristine OSBC. FT-IR analysis showed the presence of critical functional groups on the surface of both adsorbents. SEM and EDX analyses showed the presence of both meso- and macropores and confirmed the presence of Co3O4 nanoparticles on the adsorbent surface. Batch adsorption studies were controlled using a two-level full-factorial design (2k-FFD). Adsorption efficiency of Co-OSBC was evaluated in terms of the % removal (%R) and the sorption capacity (qe, mg/g) as a function of four variables: pH, adsorbent dose (AD), drug concentration, and contact time (CT). A %R of 95.18% and 75.48% could be achieved for RIFM and TIGC, respectively. Equilibrium studies revealed that Langmuir model perfectly fit the adsorption of RIFM compared to Freundlich model for TIGC. Maximum adsorption capacity (qmax) for RIFM and TIGC was 61.10 and 25.94 mg/g, respectively. Adsorption kinetics of both drugs could be best represented using the pseudo-second order (PSO) model.
Spin-Orbit Coupling and Spin-Polarized Electronic Structures of Janus Vanadium-Dichalcogenide Monolayers: First-Principles Calculations
Authors: Lv Ming-Hao , Li Chang-Ming , Sun Wei-Feng
Published: January 2022

Phonon and spintronic structures of monolayered Janus vanadium-dichalcogenide compounds are calculated by the first-principles schemes of pseudopotential plane-wave based on spin-density functional theory, to study dynamic structural stability and electronic spin-splitting due to spin-orbit coupling (SOC) and spin polarization. Geometry optimizations and phonon-dispersion spectra demonstrate that vanadium-dichalcogenide monolayers possess a high enough cohesive energy, while VSTe and VTe2 monolayers specially possess a relatively higher in-plane elastic coefficient and represent a dynamically stable structure without any virtual frequency of atomic vibration modes. Atomic population charges and electron density differences demonstrate that V–Te covalent bonds cause a high electrostatic potential gradient perpendicular to layer-plane internal VSTe and VSeTe monolayers. The spin polarization of vanadium 3d-orbital component causes a pronounced energetic spin-splitting of electronic-states near the Fermi level, leading to a semimetal band-structure and increasing optoelectronic band-gap. Rashba spin-splitting around G point in Brillouin zone can be specifically introduced into Janus VSeTe monolayer by strong chalcogen SOC together with a high intrinsic electric field (potential gradient) perpendicular to layer-plane. The vertical splitting of band-edge at K point can be enhanced by a stronger SOC of the chalcogen elements with larger atom numbers for constituting Janus V-dichalcogenide monolayers. The collinear spin-polarization causes the band-edge spin-splitting across Fermi level and leads to a ferrimagnetic order in layer-plane between V and chalcogen cations with higher α and β spin densities, respectively, which accounts for a large net spin as manifested more apparently in VSeTe monolayer. In a conclusion for Janus vanadium-dichalcogenide monolayers, the significant Rashba splitting with an enhanced K-point vertical splitting can be effectively introduced by a strong SOC in VSeTe monolayer, which simultaneously represents the largest net spin of 1.64 (ћ/2) per unit cell. The present study provides a normative scheme for first-principles electronic structure calculations of spintronic low-dimensional materials, and suggests a prospective extension of two-dimensional compound materials applied to spintronics.
GLIM-Defined Malnutrition in Patients with Head and Neck Cancer during the Qualification Visit for Home Enteral Nutrition
Authors: Przekop Zuzanna , Milewska Magdalena , Szostak-Węgierek Dorota , Panczyk Mariusz , Sobocki Jacek
Published: January 2022

Patients with head and neck cancer (HNC) present multiple symptoms that increase the risk of malnutrition. Nutritional care, including enteral nutrition (EN), plays a crucial role in the management of this group of patients. The aim of the study was to determine the Global Leadership Initiative on Malnutrition (GLIM)-based stages of malnutrition and the relationship with selected biochemical parameters during the home enteral nutrition (HEN) qualification visit of patients with HNC. The retrospective analysis involved 224 patients with HNC referred for HEN. The following parameters were evaluated: body mass index (BMI), percent weight loss, and laboratory tests (serum albumin, total serum protein, C-reactive protein (CRP), and total lymphocyte count (TLC)). Malnutrition was defined using GLIM-based criteria. The prevalence of malnutrition based on GLIM criteria was 93.75% (15.18% moderately malnourished, 78.57% severely malnourished). There was a positive correlation between malnutrition based on GLIM criteria, serum albumin, and CRP. In the model assessing the odds of severe malnutrition according to the criteria of GLIM, TLC and CRP had a statistically significant effect on the chance in the probability of qualifying a patient to the severe malnutrition group, but the strength of the results was weak. The prevalence of malnutrition in HNC patients enrolled to HEN is high and most of them are severely malnourished. This suggests that it is important to identify more efficiently patients with risk of malnutrition at an earlier stage. GLIM criteria for malnutrition can be easily applied in this group of patients, but the definition of inflammation criteria should be clarified.
Genetically Predicted Circulating Copper and Risk of Chronic Kidney Disease: A Mendelian Randomization Study
Authors: Ahmad Shafqat , Ärnlöv Johan , Larsson Susanna C.
Published: January 2022

Elevated circulating copper levels have been associated with chronic kidney disease (CKD), kidney damage, and decline in kidney function. Using a two sample Mendelian randomization approach where copper-associated genetic variants were used as instrumental variables, genetically predicted higher circulating copper levels were associated with higher CKD prevalence (odds ratio 1.17; 95% confidence interval 1.04, 1.32; p-value = 0.009). There was suggestive evidence that genetically predicted higher copper was associated with a lower estimated glomerular filtration rate and a more rapid kidney damage decline. In conclusion, we observed that elevated circulating copper levels may be a causal risk factor for CKD.
Associations of Social Jetlag with Dietary Behavior, Physical Activity and Obesity among Chinese Adolescents
Authors: Liang Fang , Fu Jialin , Xu Yijia , Wang Yechuang , Qiu Nan , Ding Kai , Zeng Jing , Moore Justin B. , Li Rui
Published: January 2022

This study aimed to investigate the associations between social jetlag (SJL), dietary behavior, physical activity, and weight status in Chinese youth. Data were derived from a cross-sectional survey in Wuhan, China in 2019. Information on SJL, the frequency of food and beverage consumption, physical activity, and BMI category were collected via a self-reported questionnaire. The Kruskal-Wallis test and ANOVA were conducted to determine differences in daily consumption frequency of food and beverage groups, BMI category, and physical activity among SJL groups. Logistic regressions and restricted cubic splines were performed to test the association between SJL and the incidence of overweight or obesity. A final sample of 3567 Chinese adolescents [mean (SD) age, 14.67 (1.72) years; 47.41% (1691) female] were included. Our findings demonstrated that adolescents with SJL may consume more unhealthy foods and fewer beneficial foods, while engaging in less moderate to vigorous physical activity (MVPA) and reporting higher BMIs. In addition, adolescents who experience more than 2 h of SJL had significant greater risk of overweight or obesity. Our findings on SJL of Chinese adolescents confirm the harmful effects of SJL and also provide insights into the etiology of obesity in Chinese adolescents.
Fructooligosaccharide Reduces Weanling Pig Diarrhea in Conjunction with Improving Intestinal Antioxidase Activity and Tight Junction Protein Expression
Authors: Zhang Zeyu , Zhang Ge , Zhang Shuai , Zhao Jinbiao
Published: January 2022

This study was to illustrate the effects of fructooligosaccharide (FOS) on the antioxidant capacity, intestinal barrier function, and microbial community of weanling pigs. Results showed that FOS reduced the incidence of diarrhea (6.5 vs. 10.8%) of pigs (p < 0.05) but did not affect growth performance when compared with the control group. A diet supplemented with FOS increased ileal mRNA expression of occludin (1.7 vs. 1.0), claudin-1 (1.9 vs. 1.0), claudin-2 (1.8 vs. 1.0), and claudin-4 (1.7 vs. 1.0), as well as colonic mRNA expression of ZO-1 (1.6 vs. 1.0), claudin-1 (1.7 vs. 1.0), occludin (1.9 vs. 1.0), and pBD-1 (1.5 vs. 1.0) when compared with the control group (p < 0.05). FOS supplementation improved the anti-oxidase activity and expression of nuclear factor erythroid-2 related factor 2 (Nrf2), and decreased concentrations of D-lactate (3.05 U/L vs. 2.83 U/L) and TNF-α (59.1 pg/mL vs. 48.0 pg/mL) in the serum when compared with the control group (p < 0.05). In addition, FOS increased Sharpea, Megasphaera, and Bacillus populations in the gut when compared with the control group (p < 0.05). Association analysis indicated that mRNA expression of occludin and claudin-1 in the ileal mucosa were correlated positively with populations of Sharpea and Bacillus (p < 0.05). Furthermore, mRNA expression of occludin and claudin-1 in the colonic mucosa were correlated positively with abundances of Sharpea, Lactobocillus, and Bifidobacterium (p < 0.05). In conclusion, FOS activated Nrf2 signaling and increased the expression of specific tight junction proteins, which were associated with reduced diarrhea incidence.
Adherence to Dietary Recommendations of 7-Year-Old Children from a Birth Cohort in Friuli Venezia Giulia, Italy
Authors: Giordani Elisa , Marinoni Michela , Fiori Federica , Concina Federica , Ronfani Luca , Dalmin Patrizia , Barbone Fabio , Edefonti Valeria , Parpinel Maria
Published: January 2022

Few Italian and European studies have assessed adherence to dietary recommendations in primary school children using dietary records. No Italian studies have provided an index-based nutritional adequacy assessment. We provided a comprehensive overview of dietary intake in 381 7-year-old children from NAC-II cohort study, Friuli Venezia Giulia (Italy). Energy, macro-, and micronutrient intakes were derived from 3-day dietary records. Standard (median and percentage) and index-based (Nutrient Adequacy Ratio (NAR) and Mean Adequacy Ratio (MAR)) approaches were used to evaluate adequacy to Italian dietary reference values at nutrient- and overall-diet-level. Percentage contribution of macronutrients to energy intake (%En) was unbalanced towards total fats and protein. In 25% of children, total fats intake exceeded the reference intake upper limit. In ~63% of children, protein intake was at least doubled in their child-specific population reference intake. Median intakes of sodium (1.7 g/day), saturated fatty acids (12.2 %En), and soluble carbohydrates (19.4 %En) exceeded the suggested dietary target in most (65–84%) children. Inadequacy was also observed for micronutrients, with median NARs ranging from 0.11 (vitamin D) to 0.90 (zinc). The median MAR was 0.75 (0.69–0.79), with 1 indicating optimal overall dietary intake. In conclusion, the enrolled children showed suboptimal intakes of several macro- and micronutrients, in line with Italian and European studies on primary school children. Based on the current findings, public health interventions may be targeted to specific nutrients or subpopulations.
Insight on Glucose and Fructose Absorption and Relevance in the Enterocyte Milieu
Authors: Chiarello Elena , Di Nunzio Mattia , Picone Gianfranco , Antonelli Giorgia , Capozzi Francesco , Bordoni Alessandra
Published: January 2022

Although epidemiological studies indicate a strong correlation between high sugar intake and metabolic diseases, the biological mechanisms underlying this link are still controversial. To further examine the modification and crosstalk occurring in enterocyte metabolism during sugar absorption, in this study we evaluate the diffusion and intestinal metabolism of glucose, fructose and sucrose, which were supplemented in equimolar concentration to Caco-2 cells grown on polyester membrane inserts. At different time points after supplementation, changes in metabolite concentration were evaluated in the apical and basolateral chambers by nuclear magnetic resonance (NMR) and gas-chromatography (GC). Sucrose was only minimally hydrolyzed by Caco-2 cells. Upon supplementation, we observed a faster uptake of fructose than glucose, the pentose sugar being also faster catabolized. Monosaccharide absorption was concomitant to the synthesis/transport of other metabolites, which occurred differently in glucose and fructose supplemented cells. Our results confirm the prominent role of intestinal cells in fructose metabolism and clearance after absorption, representing a further step forward in the understanding of the role of dietary sugars. Future research, including targeted analysis on specific transporters/enzymes and the use of labeled substrates, will be helpful to confirm the present results and their interpretation.
Omega-3 Fatty Acid Intake during Pregnancy and Child Neuropsychological Development: A Multi-Centre Population-Based Birth Cohort Study in Spain
Authors: Tahaei Hana , Gignac Florence , Pinar Ariadna , Fernandez-Barrés Silvia , Romaguera Dora , Vioque Jesus , Santa-Marina Loreto , Subiza-Pérez Mikel , Llop Sabrina , Soler-Blasco Raquel , Arija Victoria , Salas-Salvadó Jordi , Tardón Adonina , Riaño-Galán Isolina , Sunyer Jordi , Guxens Monica , Julvez Jordi
Published: January 2022

Background: There are few studies that look at the intake of all types of omega-3 polyunsaturated fatty acids (n-3 PUFAs) during the different stages of pregnancy along with a long-term neuropsychological follow-up of the child. This study aims to explore the association between maternal n-3 PUFA intake during two periods of pregnancy and the child’s neuropsychological scores at different ages. Methods: Prospective data were obtained for 2644 pregnant women recruited between 2004 and 2008 in population-based birth cohorts in Spain. Maternal n-3 PUFA intake during the first and third trimester of pregnancy was estimated using validated food frequency questionnaires. Child neuropsychological functions were assessed using Bayley Scales of Infant Development version one (BSID) at 1 year old, the McCarthy Scale of Children’s Abilities (MSCA) at 4 years old, and the Attention Network Test (ANT) at 7 years old. Data were analysed using multivariate linear regression models and adjusted for potential covariates, such as maternal social class, education, cohort location, alcohol consumption, smoking, breastfeeding duration, and energy intake. Results: Compared to participants in the lowest quartile (<1.262 g/day) of n-3 PUFA consumption during the first trimester, those in the highest quartile (>1.657 g/day) had a 2.26 points (95% confidence interval (CI): 0.41, 4.11) higher MSCA general cognitive score, a 2.48 points (95% CI: 0.53, 4.43) higher MSCA verbal score, and a 2.06 points (95% CI: 0.166, 3.95) higher MSCA executive function score, and a 11.52 milliseconds (95% CI: −22.95, −0.09) lower ANT hit reaction time standard error. In the third pregnancy trimester, the associations were weaker. Conclusions: Positive associations between n-3 PUFA intake during early pregnancy and child neuropsychological functions at 4 and 7 years of age were found, and further clinical research is needed to confirm these findings.
Relative Validity and Reproducibility of a Semi-Quantitative Food Frequency Questionnaire for Determining Nutrient Intake in Older Adults in New Zealand: The REACH Study
Authors: Yu Angela D. , Mumme Karen D. , Conlon Cathryn A. , von Hurst Pamela R. , Gillies Nicola , Heath Anne-Louise , Coad Jane , Beck Kathryn L.
Published: January 2022

Dietary intake is an important predictor of health and disease outcomes. This cross-sectional study evaluated the relative validity and reproducibility of a semi-quantitative food frequency questionnaire (FFQ) for assessing energy and nutrient intake in older adults. Dietary data were collected 2018–2019 in Auckland, New Zealand from a convenience sample of community-dwelling adults (65–74 years, n = 294, 37% male) using a 109-item self-administered FFQ at baseline (FFQ1) and four weeks later to assess reproducibility. FFQ1 was compared to a four-day food record to determine relative validity. Agreement between dietary assessment tools was assessed for both raw and energy-adjusted nutrient intakes using paired t-tests, correlation coefficients, weighted kappa statistic, Bland–Altman plots, and linear regression analysis. Energy adjustments moderately improved the relative validity and reproducibility for most nutrients. For energy and energy-adjusted nutrient intakes, the mean correlation coefficients were 0.38 (validity) and 0.65 (reproducibility); the mean weighted kappa statistics were 0.27 (validity) and 0.51 (reproducibility). A significant slope of bias was present in 54% (validity) and 25% (reproducibility) of Bland–Altman plots. The Researching Eating, Activity, and Cognitive Health (REACH) FFQ has acceptable relative validity and good reproducibility for ranking nutrient intakes in older New Zealand adults, but is less suitable for assessing absolute nutrient intakes.
Approach to Developing a Core Competency Framework for Student Nurses in Saudi Arabia: Results from Delphi Technique
Authors: Attallah Dena , Hasan Abd Alhadi
Published: January 2022

Background: Competence, while firmly established as a primary conceptual framework in nursing education, continues to lack clarity and uniformity across borders and contexts. While a wealth of research has been carried out on the various dimensions of this concept, including the drafting and implementation of frameworks for nursing competence, no unifying international framework has been forthcoming. Indeed, the continued development of more localized approaches, based on geography or specialization, would appear to be the most realistic objective. It is incumbent on nurse educationalists and researchers to build on existing frameworks and develop evidence-based tested methodologies for competence assessment in localized contexts. Currently, there is a dearth of such evidence-based frameworks in the Middle East and in the Kingdom of Saudi Arabia (KSA) in particular. This study aimed to formulate and validate a competence framework for undergraduate nursing students in KSA. Results: Following documentary analysis, framework drafting and a three round Delphi process, a consensus was reached as to elements, comprising six discrete domains, to be included. The identified competence domains provide a framework to guide the implementation of a competence-based assessment and move towards a competency-based curriculum for nursing education in KSA. Conclusions: The study concluded that providing a competency-based model and expanding and standardization of competency concept in different dimensions of nursing profession is a necessity; considering that clarification of the concept of competency, the recognition of its dimensions, characteristics and the factors affecting it help in determining the criteria and standardizing the competency tools.
Low Efficacy of Periodical Thermal Shock for Long-Term Control of Legionella spp. in Hot Water System of Hotels
Authors: Molina Jhon J. , Bennassar Magdalena , Palacio Edwin , Crespi Sebastian
Published: January 2022

Different guidelines and regulations for the prevention of legionellosis in public facilities include the recommendation of a periodical thermal shock in the hot water system. The purpose of this study was to assess the efficacy of periodical thermal shocks along a 1-year period on the presence of Legionella spp. in the domestic hot water system of hotels. The Legionella testing results from the period January–December 2019 coming from a group of 77 hotel facilities in the Balearic Islands (Spain) conducting periodical thermal shocks were analyzed. A second group of 44 hotels operating without periodical thermal shocks was used for a comparative analysis. In the facilities where the periodical thermal shock was performed, 16.0% of the results (429 hot water samples collected) were positive for Legionella spp., compared to 21.1% (298 samples), where periodical thermal shock was not performed. Overall, in the thermal shock group, 32.5% of the sites presented at least 1 positive sample along the period of study versus 45.5% in the control group. None of these differences was statistically significant (p-value > 0.05). These findings suggest that the efficacy of regular thermal shock for long-term control of Legionella spp. in domestic hot water systems of hotels is low.
Structural Analysis of the Outer Membrane Lipoprotein BBA14 (OrfD) and the Corresponding Paralogous Gene Family 143 (PFam143) from Borrelia burgdorferi
Authors: Akopjana Inara , Brangulis Kalvis
Published: January 2022

Lyme disease is caused by the spirochete Borrelia burgdorferi, which can be transmitted to a mammalian host when infected Ixodes ticks feed. B. burgdorferi has many unique characteristics, such as the presence of at least 130 different lipoproteins, which is considerably more than any other known bacterium. Moreover, the B. burgdorferi genome is relatively small (1.5 Mbp) but at the same time it is quite complicated because it comprises a chromosome and 21 linear and circular plasmids. B. burgdorferi is also rich in paralogous proteins; in total, there are approximately 150 paralogous gene families. Equally important is the fact that there is still no vaccine against the Lyme disease. To better understand the role of lipoproteins in this unique bacterium, we solved the crystal structure of the outer membrane lipoprotein BBA14, which is coded on the relatively stable linear plasmid 54 (lp54). BBA14 does not share sequence identity with any other known proteins, and it is one of the ten members of the paralogous gene family 143 (PFam143). PFam143 members are known as orfD proteins from a genetic locus, designated 2.9. The obtained crystal structure revealed similarity to the antitoxin from the epsilon/zeta toxin-antitoxin system. The results of this study help to characterize BBA14 and to clarify the role of PFam143 in the lifecycle of B. burgdorferi.
Laboratory Selection of Trypanosomatid Pathogens for Drug Resistance
Authors: Beilstein Sabina , El Phil Radhia , Sahraoui Suzanne , Scapozza Leonardo , Kaiser Marcel , Mäser Pascal
Published: January 2022

The selection of parasites for drug resistance in the laboratory is an approach frequently used to investigate the mode of drug action, estimate the risk of emergence of drug resistance, or develop molecular markers for drug resistance. Here, we focused on the How rather than the Why of laboratory selection, discussing different experimental set-ups based on research examples with Trypanosoma brucei, Trypanosoma cruzi, and Leishmania spp. The trypanosomatids are particularly well-suited to illustrate different strategies of selecting for drug resistance, since it was with African trypanosomes that Paul Ehrlich performed such an experiment for the first time, more than a century ago. While breakthroughs in reverse genetics and genome editing have greatly facilitated the identification and validation of candidate resistance mutations in the trypanosomatids, the forward selection of drug-resistant mutants still relies on standard in vivo models and in vitro culture systems. Critical questions are: is selection for drug resistance performed in vivo or in vitro? With the mammalian or with the insect stages of the parasites? Under steady pressure or by sudden shock? Is a mutagen used? While there is no bona fide best approach, we think that a methodical consideration of these questions provides a helpful framework for selection of parasites for drug resistance in the laboratory.
Two New Fatty Acid Derivatives, Omphalotols A and B and Anti-Helicobacter pylori Fatty Acid Derivatives from Poisonous Mushroom Omphalotus japonicus
Authors: Lee Seulah , Kim Tae Wan , Lee Yong Hoon , Kang Dong-Min , Ryoo Rhim , Ko Yoon-Joo , Ahn Mi-Jeong , Kim Ki Hyun
Published: January 2022

As part of ongoing systematic research into the discovery of bioactive secondary metabolites with novel structures from Korean wild mushrooms, we investigated secondary metabolites from a poisonous mushroom, Omphalotus japonicus (Kawam.) Kirchm. & O. K. Mill. belonging to the family Marasmiaceae, which causes nausea and vomiting after consumption. The methanolic extract of O. japonicus fruiting bodies was subjected to the fractionation by solvent partition, and the CH2Cl2 fraction was analyzed for the isolation of bioactive compounds, aided by an untargeted liquid chromatography mass spectrometry (LC–MS)-based analysis. Through chemical analysis, five fatty acid derivatives (1–5), including two new fatty acid derivatives, omphalotols A and B (1 and 2), were isolated from the CH2Cl2 fraction, and the chemical structures of the new compounds were determined using 1D and 2D nuclear magnetic resonance (NMR) spectroscopy and high resolution electrospray ionization mass spectrometry (HR-ESIMS), as well as fragmentation patterns in MS/MS data and chemical reactions followed by the application of Snatzke’s method and competing enantioselective acylation (CEA). In the anti-Helicobacter pylori activity test, compound 1 showed moderate antibacterial activity against H. pylori strain 51 with 27.4% inhibition, comparable to that of quercetin as a positive control. Specifically, compound 3 exhibited the most significant antibacterial activity against H. pylori strain 51, with MIC50 and MIC90 values of 9 and 20 μM, respectively, which is stronger inhibitory activity than that of another positive control, metronidazole (MIC50 = 17 μM and MIC90 = 46 μM). These findings suggested the experimental evidence that the compound 3, an α,β-unsaturated ketone derivative, could be used as a moiety in the development of novel antibiotics against H. pylori.
Medicines Reconciliation in the Emergency Department: Important Prescribing Discrepancies between the Shared Medication Record and Patients’ Actual Use of Medication
Authors: Andersen Tanja Stenholdt , Gemmer Mia Nimb , Sejberg Hayley Rose Constance , Jørgensen Lillian Mørch , Kallemose Thomas , Andersen Ove , Iversen Esben , Houlind Morten Baltzer
Published: January 2022

Medication reconciliation is crucial to prevent medication errors. In Denmark, primary and secondary care physicians can prescribe medication in the same electronic prescribing system known as the Shared Medication Record (SMR). However, the SMR is not always updated by physicians, which can lead to discrepancies between the SMR and patients’ actual use of medication. These discrepancies may compromise patient safety upon admission to the emergency department (ED). Here, we investigated (a) the occurrence of discrepancies, (b) factors associated with discrepancies, and (c) the percentage of patients accessible to a clinical pharmacist during pharmacy working hours. The study included all patients age ≥ 18 years who were admitted to the Hvidovre Hospital ED on three consecutive days in June 2020. The clinical pharmacists performed medicines reconciliation to identify prescribing discrepancies. In total, 100 patients (52% male; median age 66.5 years) were included. The patients had a median of 10 [IQR 7–13] medications listed in the SMR and a median of two [IQR 1–3.25] discrepancies. Factors associated with increased rate of prescribing discrepancies were age < 65 years, time since last update of the SMR ≥ 115 days, and patients’ self-dispensing their medications. Eighty-four percent of patients were available for medicines reconciliations during the normal working hours of the clinical pharmacist. In conclusion, we found that discrepancies between the SMR and patients’ actual medication use upon admission to the ED are frequent, and we identified several risk factors associated with the increased rate of discrepancies.