bluuebunny/crossref_metadata_2025 huggingface dataset:
Inosine and D-Mannose Secreted by Drug-Resistant Klebsiella pneumoniae Affect Viability of Lung Epithelial Cells
Authors: Zhang Yuhan , Zhou Ziwei , Xiao Wenxuan , Tang Yuting , Guan Wei , Wang Jiang , Shu Farui , Shen Jiaqi , Gu Shaoyan , Zhang Lu , Wang Qingzhong , Xie Lixin
Published: May 2022

The antibiotic resistance rates of Klebsiella pneumoniae have been steadily increasing in recent years. Nevertheless, the metabolic features of the drug-resistant Klebsiella pneumoniae and its associated benefits for bacterial pathogenicity are far from expounded. This study aims to unravel the unique physiological and metabolic properties specific to drug-resistant K. pneumoniae. Using scanning electron microscopy (SEM), we observed a thicker extracellular mucus layer around a drug-resistant K. pneumonia strain (Kp-R) than a drug-sensitive K. pneumonia strain (Kp-S). Kp-R also produced more capsular polysaccharide (CPS) and biofilm, and appeared to have a significant competitive advantage when co-cultured with Kp-S. Moreover, Kp-R was easier to adhere to and invade A549 epithelial cells than Kp-S but caused less cell-viability damage according to cell counting kit-8 (CCK-8) tests. Immunofluorescence revealed that both Kp-R and Kp-S infection destroyed the tight junctions and F-actin of epithelial cells, while the damage caused by Kp-S was more severe than Kp-R. We detected the extracellular metabolites secreted by the two strains with UHPLC-Q-TOF MS to explore the critical secretion products. We identified 16 predominant compounds that were differentially expressed. Among them, inosine increased the viability of epithelial cells in a dose-dependent manner, and an A2AR antagonist can abolish such enhancement. D-mannose, which was secreted less in Kp-R, inhibited the viability of A549 cells in the range of low doses. These findings provide potential targets and research strategies for preventing and treating drug-resistant K. pneumoniae infections.
Exploring the Parallel G-Quadruplex Nucleic Acid World: A Spectroscopic and Computational Investigation on the Binding of the c-myc Oncogene NHE III1 Region by the Phytochemical Polydatin
Authors: Greco Francesca , Musumeci Domenica , Borbone Nicola , Falanga Andrea Patrizia , D’Errico Stefano , Terracciano Monica , Piccialli Ilaria , Roviello Giovanni Nicola , Oliviero Giorgia
Published: May 2022

Trans-polydatin (tPD), the 3-β-D-glucoside of the well-known nutraceutical trans-resveratrol, is a natural polyphenol with documented anti-cancer, anti-inflammatory, cardioprotective, and immunoregulatory effects. Considering the anticancer activity of tPD, in this work, we aimed to explore the binding properties of this natural compound with the G-quadruplex (G4) structure formed by the Pu22 [d(TGAGGGTGGGTAGGGTGGGTAA)] DNA sequence by exploiting CD spectroscopy and molecular docking simulations. Pu22 is a mutated and shorter analog of the G4-forming sequence known as Pu27 located in the promoter of the c-myc oncogene, whose overexpression triggers the metabolic changes responsible for cancer cells transformation. The binding of tPD with the parallel Pu22 G4 was confirmed by CD spectroscopy, which showed significant changes in the CD spectrum of the DNA and a slight thermal stabilization of the G4 structure. To gain a deeper insight into the structural features of the tPD-Pu22 complex, we performed an in silico molecular docking study, which indicated that the interaction of tPD with Pu22 G4 may involve partial end-stacking to the terminal G-quartet and H-bonding interactions between the sugar moiety of the ligand and deoxynucleotides not included in the G-tetrads. Finally, we compared the experimental CD profiles of Pu22 G4 with the corresponding theoretical output obtained using DichroCalc, a web-based server normally used for the prediction of proteins’ CD spectra starting from their “.pdb” file. The results indicated a good agreement between the predicted and the experimental CD spectra in terms of the spectral bands’ profile even if with a slight bathochromic shift in the positive band, suggesting the utility of this predictive tool for G4 DNA CD investigations.
Prediction of Drug-Drug Interaction Using an Attention-Based Graph Neural Network on Drug Molecular Graphs
Authors: Feng Yue-Hua , Zhang Shao-Wu
Published: May 2022

The treatment of complex diseases by using multiple drugs has become popular. However, drug-drug interactions (DDI) may give rise to the risk of unanticipated adverse effects and even unknown toxicity. Therefore, for polypharmacy safety it is crucial to identify DDIs and explore their underlying mechanisms. The detection of DDI in the wet lab is expensive and time-consuming, due to the need for experimental research over a large volume of drug combinations. Although many computational methods have been developed to predict DDIs, most of these are incapable of predicting potential DDIs between drugs within the DDI network and new drugs from outside the DDI network. In addition, they are not designed to explore the underlying mechanisms of DDIs and lack interpretative capacity. Thus, here we propose a novel method of GNN-DDI to predict potential DDIs by constructing a five-layer graph attention network to identify k-hops low-dimensional feature representations for each drug from its chemical molecular graph, concatenating all identified features of each drug pair, and inputting them into a MLP predictor to obtain the final DDI prediction score. The experimental results demonstrate that our GNN-DDI is suitable for each of two DDI predicting scenarios, namely the potential DDIs among known drugs in the DDI network and those between drugs within the DDI network and new drugs from outside DDI network. The case study indicates that our method can explore the specific drug substructures that lead to the potential DDIs, which helps to improve interpretability and discover the underlying interaction mechanisms of drug pairs.
Discriminant Analysis of the Nutritional Components between Organic Eggs and Conventional Eggs: A 1H NMR-Based Metabolomics Study
Authors: Xia Feng , Zhao Yanrong , Xing Meijun , Sun Zhenning , Huang Yizhou , Feng Jianghua , Shen Guiping
Published: May 2022

The difference of nutrient composition between organic eggs and conventional eggs has always been a concern of people. In this study, 1H nuclear magnetic resonance (NMR) technique combined with multivariate statistical analyses was conducted to identify the metabolite different in egg yolk and egg white in order to reveal the nutritional components information between organic and conventional eggs. The results showed that the nutrient content and composition characteristics were different between organic and conventional eggs, among which the content of glucose, putrescine, amino acids and their derivatives were found higher in the organic eggs yolk, while phospholipids were demonstrated higher in conventional eggs yolk. Organic acid, alcohol, amine, choline and amino acids were higher in conventional eggs white, but glucose and lactate in organic egg were higher. Our study demonstrated that there are more nutritive components and higher nutritional value in organic eggs than conventional eggs, especially for the growth and development of infants and young children, and conventional eggs have more advantages in promoting lipid metabolism, preventing fatty liver, and reducing serum cholesterol. Eggs have important nutritional value to human body, and these two kinds of eggs can be selected according to the actual nutrient needs.
Use of Microwave Maceration in Red Winemaking: Effect on Fermentation and Chemical Composition of Red Wines
Authors: Muñoz García Raquel , Oliver-Simancas Rodrigo , Arévalo Villena María , Martínez-Lapuente Leticia , Ayestarán Belén , Marchante-Cuevas Lourdes , Díaz-Maroto María Consuelo , Pérez-Coello María Soledad
Published: May 2022

The objective of this study was to evaluate the effect of microwave treatment of crushed grapes on the yeast population of the must and on the development of alcoholic fermentation, as well as on the extraction of different compounds from the grapes such as polysaccharides and amino acids that can affect the organoleptic quality and stability of the wine. This study demonstrated for the first time the effect of the microwave treatment of grapes on native yeast species and their diversity, producing an increase in fermentation kinetics and a decrease in the lag phase. The microwave treatment produced a positive effect on the extraction of amino acids and polysaccharides from the grapes, resulting in significantly higher amounts of the main amino acids of the must and some major volatile compounds in the treated samples. The polysaccharides most affected by the microwave treatment were the PRAGs, the main polysaccharides liberated from grapes during the maceration.
Decoding an Amino Acid Sequence to Extract Information on Protein Folding
Authors: Kikuchi Takeshi
Published: May 2022

Protein folding is a complicated phenomenon including various time scales (μs to several s), and various structural indices are required to analyze it. The methodologies used to study this phenomenon also have a wide variety and employ various experimental and computational techniques. Thus, a simple speculation does not serve to understand the folding mechanism of a protein. In the present review, we discuss the recent studies conducted by the author and their colleagues to decode amino acid sequences to obtain information on protein folding. We investigate globin-like proteins, ferredoxin-like fold proteins, IgG-like beta-sandwich fold proteins, lysozyme-like fold proteins and β-trefoil-like fold proteins. Our techniques are based on statistics relating to the inter-residue average distance, and our studies performed so far indicate that the information obtained from these analyses includes data on the protein folding mechanism. The relationships between our results and the actual protein folding phenomena are also discussed.
Synthesis and In-Vivo Evaluation of Benzoxazole Derivatives as Promising Anti-Psoriatic Drugs for Clinical Use
Authors: Ayoub Rami , Jilani Jamal , Jarrar Qais , Alani Raad , Ardianto Chrismawan , Goh Khang Wen , Ali Dalia , Moshawih Said
Published: May 2022

2-(4-Chlorophenyl)-5-benzoxazoleacetic acid (CBA) and its ester, methyl-2-(4-chloro-phenyl)-5-benzoxazoleacetate (MCBA), were synthesized, and their structures were confirmed by 1HNMR, IR, and mass spectrophotometry. The anti-psoriatic activities of CBA and MCBA were tested using an imiquimod (IMQ)-induced psoriatic mouse model, in which mice were treated both topically (1% w/w) and orally (125 mg/kg) for 14 days. The erythema intensity, thickness, and desquamation of psoriasis were scored by calculating the psoriasis area severity index (PASI). The study also included the determination of histopathological alterations in the skin tissues of treated mice. Topical and oral administration of CBA and MCBA led to a reduction in erythema intensity, thickness, and desquamation, which was demonstrated by a significant decrease in the PASI value. In addition, skin tissues of mice treated with CBA and MCBA showed less evidence of psoriatic alterations, such as hyperkeratosis, parakeratosis, scale crust, edema, psoriasiform, and hyperplasia. After administration of either topical or oral dosing, the anti-psoriatic effects were found to be stronger in MCBA-treated than in CBA-treated mice. These effects were comparable to those produced by Clobetasol propionate, the reference drug. This drug discovery could be translated into a potential new drug for future clinical use in psoriasis treatment.
Exploring In Vitro Biological Cellular Responses of Pegylated β-Cyclodextrins
Authors: Rincón-López Juliana , Martínez-Aguilera Miguelina , Guadarrama Patricia , Juarez-Moreno Karla , Rojas-Aguirre Yareli
Published: May 2022

βCDPEG5 and βCDPEG2 are two derivatives comprising seven PEG linear chains of 5 and 2 kDa, respectively, conjugated to βCD. As βCDPEGs display different physicochemical properties than their precursors, they could also trigger distinct cellular responses. To investigate the biological behavior of βCDPEGs in comparison to their parent compounds, we performed broad toxicological assays on RAW 264.7 macrophages, MC3T3-E1 osteoblasts, and MDCK cells. By analyzing ROS and NO2− overproduction in macrophages, we found that βCDPEGs induced a moderate stress response without affecting cell viability. Although MC3T3-E1 osteoblasts were more sensitive than MDCK cells to βCDPEGs and the parent compounds, a similar pattern was observed: the effect of βCDPEG5 on cell viability and cell cycle progression was larger than that of βCDPEG2; PEG2 affected cell viability and cell cycle more than βCDPEG2; cell post-treatment recovery was favorable in all cases, and the compounds had similar behaviors regarding ROS generation. The effect on MDCK cell migration followed a similar pattern. In contrast, for osteoblasts, the interference of βCDPEG5 with cell migration was smaller than that of βCDPEG2; likewise, the effect of PEG2 was shorter than its conjugate. Overall, the covalent conjugation of βCD and PEGs, particularly to yield βCDPEG2, improved the biocompatibility profile, evidencing that a favorable biological response can be tuned through a thoughtful combination of materials. Moreover, this is the first time that an in vitro evaluation of βCD and PEG has been presented for MC3T3-E1 and MDCK cells, thus providing valuable knowledge for designing biocompatible nanomaterials constructed from βCD and PEGs.
In Situ Construction of ZIF-67-Derived Hybrid Tricobalt Tetraoxide@Carbon for Supercapacitor
Authors: Gong Hao , Bie Shiguang , Zhang Jian , Ke Xianbin , Wang Xiaoxing , Liang Jianquan , Wu Nian , Zhang Qichang , Luo Chuanxian , Jia Yanmin
Published: May 2022

The Co3O4 electrode is a very promising material owing to its ultrahigh capacitance. Nevertheless, the electrochemical performance of Co3O4-based supercapacitors is practically confined by the limited active sites and poor conductivity of Co3O4. Herein, we provide a facile synthetic strategy of tightly anchoring Co3O4 nanosheets to a carbon fiber conductive cloth (Co3O4@C) using the zeolitic imidazolate framework-67 (ZIF-67) sacrificial template via in situ impregnation and the pyrolysis method. Benefiting from the enhancement of conductivity and the increase in active sites, the binder-free porous Co3O4@C supercapacitor electrodes possess typical pseudocapacitance characteristics, with an acceptable specific capacitance of ~251 F/g at 1 A/g and long-term cycling stability (90% after cycling 5000 times at 3 A/g). Moreover, the asymmetric and flexible supercapacitor composed of Co3O4@C and activated carbon is further assembled, and it can drive the red LED for 6 min.
Modelling and Optimisation of Laser-Structured Battery Electrodes
Authors: Schweighofer Lukas , Eschelmüller Bernd , Fröhlich Katja , Pfleging Wilhelm , Pichler Franz
Published: May 2022

An electrochemical multi-scale model framework for the simulation of arbitrarily three-dimensional structured electrodes for lithium-ion batteries is presented. For the parameterisation, the electrodes are structured via laser ablation, and the model is fit to four different, experimentally electrochemically tested cells. The parameterised model is used to optimise the parameters of three different pattern designs, namely linear, gridwise, and pinhole geometries. The simulations are performed via a finite element implementation in two and three dimensions. The presented model is well suited to depict the experimental cells, and the virtual optimisation delivers optimal geometrical parameters for different C-rates based on the respective discharge capacities. These virtually optimised cells will help in the reduction of prototyping cost and speed up production process parameterisation.
Enhanced Thermoelectric Properties of Te Doped Polycrystalline Sn0.94Pb0.01Se
Authors: Li Fujin , Bo Lin , Zhang Ruipeng , Liu Sida , Zhu Junliang , Zuo Min , Zhao Degang
Published: May 2022

Thermoelectric materials can directly convert heat and electricity, which is a kind of promising energy material. In view of cost and mechanical properties, polycrystalline SnSe material with high zT value is greatly desired. In this study, polycrystalline Sn0.94Pb0.01Se1-xTex samples were prepared by the vacuum melting–hot pressing sintering method. Sn vacancies, Pb and Te atoms were simultaneously introduced into the polycrystalline SnSe. The power factor of Sn0.94Pb0.01Se1-xTex samples was decreased, which could be attributed to the generation of n-type semiconductor SnSe2. In addition, the phonons were strongly scattered by point defects and dislocations, which led to the decrease of thermal conductivity—from 0.43 Wm−1K−1 to 0.29 Wm−1K−1 at 750 K. Finally, the polycrystalline Sn0.94Pb0.01Se0.96Te0.04 sample achieved the maximum zT value of 0.60 at 750 K.
New and Efficient Bioactive Glass Compositions for Controlling Endodontic Pathogens
Authors: Correia Bruna L. , Gomes Ana T. P. C. , Noites Rita , Ferreira José M. F. , Duarte Ana S.
Published: May 2022

Endodontic treatment aims to conserve teeth through removing infected tissue, disinfecting, and filling/sealing the root canal. One of the most important treatment steps is the removal of microorganisms to avoid reinfection and consequent tooth loss. Due to increased resistance to intracanal medications, new alternative procedures are needed. Thus, an intracanal medication is suggested using three bioactive glass (BG) compositions (BG1, BG2, and BG3) produced by the sol–gel method, with different molar contents of bactericidal oxides. The BGs were morphologically and physically characterized. Their ability to inhibit the growth of two oral pathogens responsible for the failure of endodontic treatments (E. faecalis and C. albicans) was also studied. The results suggest that BG2 and BG3 can inhibit the growth of E. faecalis after 48 h of incubation, and all BG samples have a significant effect on C. albicans survival.
Nanostructured Materials for Energy Storage and Conversion
Authors: Pasquini Luca
Published: May 2022

The conversion and storage of renewable energy sources is an urgent challenge that we need to tackle to transition from a fossil fuel-based economy to a low-carbon society [...]
Structure and Magnetic Properties of ErFexMn12−x (7.0 ≤ x ≤ 9.0, Δx = 0.2)
Authors: Gao Penglin , Xia Yuanhua , Gong Jian , Ju Xin
Published: May 2022

The magnetic interactions of iron-rich manganese-based ThMn12 type rare earth metal intermetallic compounds are extremely complex. The antiferromagnetic structure sublattice and the ferromagnetic structure sublattice had coexisted and competed with each other. Previous works are focus on studying magnetic properties of RFexMn12−x (x = 0–9.0, Δx = 0.2). In this work, we obtained a detailed magnetic phase diagram for iron-rich ErFexMn12−x series alloy samples with a fine composition increment (Δx = 0.2), and studied the exchange bias effect and magneto-caloric effect of samples. ErFexMn12−x series (x = 7.0–9.0, Δx = 0.2) alloy samples were synthesized by arc melting, and the pure ThMn12-type phase structure was confirmed by X-ray diffraction (XRD). The neutron diffraction test was used to confirm the Mn atom preferentially occupying the 8i position and to quantify the Mn. The magnetic properties of the materials were characterized by a comprehensive physical property measurement system (PPMS). Accurate magnetic phase diagrams of the samples in the composition range 7.0–9.0 were obtained. Along with temperature decrease, the samples experienced paramagnetic, ferromagnetic changes for samples with x < 7.4 and x > 8.4, and paramagnetic, antiferromagnetic and ferromagnetic or paramagnetic, ferromagnetic and antiferromagnetic changes for samples with 7.4 ≤ x ≤ 8.2. The tunable exchange bias effect was observed for sample with 7.4 ≤ x ≤ 8.2, which resulting from competing magnetic interacting among ferromagnetic and antiferromagnetic sublattices. The maximum magnetic entropy change in an ErFe9.0Mn3.0 specimen reached 1.92 J/kg/K around room temperature when the magnetic field change was 5 T. This study increases our understanding of exchange bias effects and allows us to better control them.
Graphene-Based Temperature Sensors–Comparison of the Temperature and Humidity Dependences
Authors: Štulík Jiří , Musil Ondřej , Josefík František , Kadlec Petr
Published: May 2022

Four different graphene-based temperature sensors were prepared, and their temperature and humidity dependences were tested. Sensor active layers prepared from reduced graphene oxide (rGO) and graphene nanoplatelets (Gnp) were deposited on the substrate from a dispersion by air brush spray coating. Another sensor layer was made by graphene growth from a plasma discharge (Gpl). The last graphene layer was prepared by chemical vapor deposition (Gcvd) and then transferred onto the substrate. The structures of rGO, Gnp, and Gpl were studied by scanning electron microscopy. The obtained results confirmed the different structures of these materials. Energy-dispersive X-ray diffraction was used to determine the elemental composition of the materials. Gcvd was characterized by X-ray photoelectron spectroscopy. Elemental analysis showed different oxygen contents in the structures of the materials. Sensors with a small flake structure, i.e., rGO and Gnp, showed the highest change in resistance as a function of temperature. The temperature coefficient of resistance was 5.16−3·K−1 for Gnp and 4.86−3·K−1 for rGO. These values exceed that for a standard platinum thermistor. The Gpl and Gcvd sensors showed the least dependence on relative humidity, which is attributable to the number of oxygen groups in their structures.
Band Gap Engineering of Newly Discovered ZnO/ZnS Polytypic Nanomaterials
Authors: Zagorac Dejan , Zagorac Jelena , Pejić Milan , Matović Branko , Schön Johann Christian
Published: May 2022

We report on a new class of ZnO/ZnS nanomaterials based on the wurtzite/sphalerite architecture with improved electronic properties. Semiconducting properties of pristine ZnO and ZnS compounds and mixed ZnO1−xSx nanomaterials have been investigated using ab initio methods. In particular, we present the results of our theoretical investigation on the electronic structure of the ZnO1−xSx (x = 0.20, 0.25, 0.33, 0.50, 0.60, 0.66, and 0.75) nanocrystalline polytypes (2H, 3C, 4H, 5H, 6H, 8H, 9R, 12R, and 15R) calculated using hybrid PBE0 and HSE06 functionals. The main observations are the possibility of alternative polytypic nanomaterials, the effects of structural features of such polytypic nanostructures on semiconducting properties of ZnO/ZnS nanomaterials, the ability to tune the band gap as a function of sulfur content, as well as the influence of the location of sulfur layers in the structure that can dramatically affect electronic properties. Our study opens new fields of ZnO/ZnS band gap engineering on a multi-scale level with possible applications in photovoltaics, light-emitting diodes, laser diodes, heterojunction solar cells, infrared detectors, thermoelectrics, or/and nanostructured ceramics.
Diet Quality and Dietary Inflammatory Index in Dutch Inflammatory Bowel Disease and Irritable Bowel Syndrome Patients
Authors: de Graaf Marlijne C. G. , Spooren Corinne E. G. M. , Hendrix Evelien M. B. , Hesselink Martine A. M. , Feskens Edith J. M. , Smolinska Agnieszka , Keszthelyi Daniel , Pierik Marieke J. , Mujagic Zlatan , Jonkers Daisy M. A. E.
Published: May 2022

Inflammatory bowel disease (IBD) and irritable bowel syndrome (IBS) share common culprit foods and potential pathophysiological factors. However, how diet may contribute to disease course and whether this differs between both entities is unclear. We therefore investigated the association of dietary indices with intestinal inflammation and gastrointestinal symptoms in both IBD and IBS patients. Food frequency questionnaires from 238 IBD, 261 IBS and 195 healthy controls (HC) were available to calculate the overall diet quality by the Dutch Healthy Diet-Index 2015 (DHD-2015) and its inflammatory potential by the Adapted Dietary Inflammatory Index (ADII). Intestinal inflammation and symptoms were evaluated by faecal calprotectin and the Gastrointestinal Symptom Rating Scale, respectively. The DHD-2015 was lower in IBD and IBS versus HC (p < 0.001), being associated with calprotectin levels in IBD (b = −4.009, p = 0.006), and with abdominal pain (b = −0.012, p = 0.023) and reflux syndrome (b = −0.016, p = 0.004) in IBS. ADII scores were comparable between groups and were only associated with abdominal pain in IBD (b = 0.194, p = 0.004). In this side-by-side comparison, we found a lower diet quality that was differentially associated with disease characteristics in IBD versus IBS patients. Longitudinal studies are needed to further investigate the role of dietary factors in the development of flares and predominant symptoms.
Antilipidemic and Hepatoprotective Effects of Ethanol Extract of Justicia spicigera in Streptozotocin Diabetic Rats
Authors: Murillo-Villicaña Marina , Noriega-Cisneros Ruth , Peña-Montes Donovan J. , Huerta-Cervantes Maribel , Aguilera-Méndez Asdrubal , Cortés-Rojo Christian , Salgado-Garciglia Rafael , Montoya-Pérez Rocío , Riveros-Rosas Héctor , Saavedra-Molina Alfredo
Published: May 2022

Oxidative stress is a factor that contributes to the development of complications in diabetes; however, its effects can be counteracted using exogenous antioxidants that are found in some plants, which is why people turn to traditional medicines in the search for therapeutic treatment. Justicia spicigera has been demonstrated to have the capacity to reduce glycemic levels; however, its effects on non-insulin-dependent organs such as the liver have not been reported. During 30 days of administration of Justicia spicigera ethanol extract, the blood glucose and weight of rats were measured every 5 days. Once the treatment was concluded, the rats were sacrificed. Corporal weight, blood glucose, cholesterol, very-low-density lipoprotein (VLDL), triglycerides, total lipids, and liver profile were reduced in the diabetic condition and normalized with the application of ethanol extract from J. spicigera (EJS). Additionally, there was a significant increase in catalase and superoxide dismutase activity in the control diabetic rats, a decrease in their activity with the extract administration, and no effect on normoglycemic rats. In conclusion, EJS is considered to be capable of reducing oxidative stress by maintaining diminished lipid and liver function profiles in male Wistar rats with streptozotocin-induced diabetes.
Factors Affecting Dental Caries Experience in 12-Year-Olds, Based on Data from Two Polish Provinces
Authors: Andrysiak-Karmińska Kinga , Hoffmann-Przybylska Alicja , Przybylski Piotr , Witkowska Zuzanna , Walicka Ewa , Borysewicz-Lewicka Maria , Gregorczyk-Maga Iwona , Rahnama Mansur , Gerreth Karolina , Opydo-Szymaczek Justyna
Published: May 2022

(1) Background: Dental caries is a chronic disease that affects a child’s dentition from the first stages of life. Several factors contribute to the development of the disease, including an improper diet. This cross-sectional study aimed to identify risk factors of dental caries in 12-year-old adolescents from Greater Poland and Lubusz Provinces (Poland). (2) Material and methods: The research was conducted in adolescents from five primary schools. A questionnaire consisted of close-ended questions on socioeconomic characteristics on family, diet, and oral hygiene habits. An assessment of the dentition was carried out in accordance with World Health Organization (WHO) recommendations. In addition to cavitated carious lesions, incipient caries lesions were noted according to the International Caries Detection and Assessment System, adapted for epidemiological studies (ICDASepiDMFt). (3) Results: The mean number of teeth with untreated caries; removed due to caries; and restored because of caries (DMFt) was 1.52 ± 1.90, while the ICDASepiDMFt index amounted to 2.64 ± 2.55, respectively. Children who did not brush every day had significantly higher odds of having ICDASepiDMFt > 0 than children brushing at least once daily (OR = 10.32, 95% CI = 1.36–78.32, p = 0.0240). Adolescents who drank sweet carbonated drinks every day had significantly higher ICDASepiDMTt than children who drank sweet carbonated drinks less frequently (p = 0.0477). (4) Conclusions: The research revealed that dental caries indices of 12-year-old adolescents from Greater Poland and Lubusz Provinces depend mainly on oral hygiene behaviors. The only significant nutritional factor that differentiated the caries intensity was the daily consumption of sweet carbonated drinks.
HM-Chromanone Ameliorates Hyperglycemia and Dyslipidemia in Type 2 Diabetic Mice
Authors: Park Jae Eun , Son Jaemin , Seo Youngwan , Han Ji Sook
Published: May 2022

The effects of (E)-5-hydroxy-7-methoxy-3-(2-hydroxybenzyl)-4-chromanone (HMC) on hyperglycemia and dyslipidemia were investigated in diabetic mice. Mice were separated into three groups: db/db, rosiglitazone and HMC. Blood glucose or glycosylated hemoglobin values in HMC-treated mice were significantly lower compared to db/db mice. Total cholesterol, LDL-cholesterol, and triglyceride values were lower, and HDL-C levels were higher, in the HMC group compared to the diabetic and rosiglitazone groups. HMC markedly increased IRS-1Tyr612, AktSer473 and PI3K levels and plasma membrane GLUT4 levels in skeletal muscle, suggesting improved insulin resistance. HMC also significantly stimulated AMPKThr172 and PPARα in the liver, and ameliorated dyslipidemia by inhibiting SREBP-1c and FAS. Consequently, HMC reduced hyperglycemia by improving the expression of insulin-resistance-related genes and improved dyslipidemia by regulating fatty acid synthase and oxidation-related genes in db/db mice. Therefore, HMC could ameliorate hyperglycemia and dyslipidemia in type 2 diabetic mice.
The Therapeutic Role of Ketogenic Diet in Neurological Disorders
Authors: Pietrzak Diana , Kasperek Kamila , Rękawek Paweł , Piątkowska-Chmiel Iwona
Published: May 2022

The ketogenic diet (KD) is a high-fat, low-carbohydrate and adequate-protein diet that has gained popularity in recent years in the context of neurological diseases (NDs). The complexity of the pathogenesis of these diseases means that effective forms of treatment are still lacking. Conventional therapy is often associated with increasing tolerance and/or drug resistance. Consequently, more effective therapeutic strategies are being sought to increase the effectiveness of available forms of therapy and improve the quality of life of patients. For the moment, it seems that KD can provide therapeutic benefits in patients with neurological problems by effectively controlling the balance between pro- and antioxidant processes and pro-excitatory and inhibitory neurotransmitters, and modulating inflammation or changing the composition of the gut microbiome. In this review we evaluated the potential therapeutic efficacy of KD in epilepsy, depression, migraine, Alzheimer’s disease and Parkinson’s disease. In our opinion, KD should be considered as an adjuvant therapeutic option for some neurological diseases.
Alcohol, Drinking Pattern, and Chronic Disease
Authors: Barbería-Latasa María , Gea Alfredo , Martínez-González Miguel A.
Published: May 2022

This review discusses the inconsistent recommendations on alcohol consumption and its association with chronic disease, highlighting the need for an evidence-based consensus. Alcohol is an addictive substance consumed worldwide, especially in European countries. Recommendations on alcohol consumption are controversial. On one hand, many nonrandomized studies defend that moderate consumption has a beneficial cardiovascular effect or a lower risk of all-cause mortality. On the other hand, alcohol is associated with an increased risk of cancer, neurological diseases, or injuries, among others. For years, efforts have been made to answer the question regarding the safe amount of alcohol intake, but controversies remain. Observational studies advocate moderate alcohol consumption following a Mediterranean pattern (red wine with meals avoiding binge drinking) as the best option for current drinkers. However, agencies such as the IARC recommend abstention from alcohol as it is a potent carcinogen. In this context, more randomized trial with larger sample size and hard clinical endpoints should be conducted to clarify the available evidence and provide clinicians with support for their clinical practice.
Dietary and Food Consumption Patterns and Their Associated Factors in the Tibetan Plateau Population: Results from 73 Counties with Agriculture and Animal Husbandry in Tibet, China
Authors: Kong Chang , Yang Linsheng , Gong Hongqiang , Wang Li , Li Hairong , Li Yonghua , Wei Binggan , Nima Cangjue , Deji Yangzong , Zhao Shengcheng , Guo Min , Gu Lijuan , Yu Jiangping , Gesang Zongji , Li Rujun
Published: May 2022

Dietary imbalances are an important cause of morbidity and mortality, both in China and globally. Abnormal element content in the natural environment and the unbalanced dietary structure of populations coexist in the Tibetan Plateau. This study analyzed the dietary and food consumption patterns of 617 Tibetan residents and their associated factors. Cluster analysis revealed three modes of dietary pattern; the food consumption scores (FCSs) of subjects in modes with relatively high consumption frequency of staple food and relatively singular dietary structure were the lowest. Although the FCSs of most subjects were acceptable (FCS > 35), subjects with relatively low FCSs were more dependent on locally cultivated highland barley that is probably low in selenium. Hierarchical linear models revealed both individual–family and regional factors were significantly related (p values < 0.05) with the food consumption of subjects as follows: age, travel time from township to county, and cultivation area of highland barley were negatively related; numbers of individuals aged 40–60 years and pork, beef, and mutton production were positively related. Individuals with secondary or higher education had higher FCSs. A single indicator may be incomprehensive in dietary and food consumption studies. For people with a relatively unbalanced diet, an analysis of the main foods they consume is critical. Dietary and food consumption patterns might have relatively large inter-regional and intra-regional variations; therefore, factors that influence it might be multi-level and multi-scale.
Dietary Modulation of the Immune Function: Direct and Microbiota-Dependent Effect
Authors: Pérez-Cano Francisco J.
Published: May 2022

Diet is critical in maintaining optimal immune function [...]
Comparison of the 24 h Dietary Recall of Two Consecutive Days, Two Non-Consecutive Days, Three Consecutive Days, and Three Non-Consecutive Days for Estimating Dietary Intake of Chinese Adult
Authors: Huang Kun , Zhao Liyun , Guo Qiya , Yu Dongmei , Yang Yuxiang , Cao Qiuye , Yuan Xiaolin , Ju Lahong , Li Shujuan , Cheng Xue , Xu Xiaoli , Fang Hongyun
Published: May 2022

The specific forms of 24 h dietary recall used by national nutrition surveys differ, such as two non-consecutive days and three consecutive days. However, it is unclear which form of 24 h dietary recall is more accurate in the Chinese population. The purpose of this study was to compare the performance of 24 h recalls on two consecutive days (C2), three consecutive days (C3), two non-consecutive days (NC2), and three non-consecutive days (NC3) in estimating Chinese adult dietary intake. A total of 595 participants completed more than twenty-three 24 h recalls. The average of all completed 24 h recalls of each subject was defined as the individual’s true dietary intake. The dietary intake in the four scenarios of 24 h recalls was calculated using the within-person mean (WPM) method and National Cancer Institute (NCI) method and compared with the true values. Equivalent testing was used to evaluate whether scenarios NC2 and C3 were equivalent. Bias and mean bias were used as a measure of precision and accuracy, respectively. For the WPM method, the precision between the four scenarios was similar. For mean, the accuracy between the four scenarios was similar, yielding estimates that were close to the true intakes. However, for percentiles, the accuracy in descending order was scenario NC3, C3, NC2, and C2. Furthermore, the difference between two and three days was greater than that between consecutive and non-consecutive days. In most case, the distribution of dietary intakes calculated from scenarios NC2 and C3 was equivalent with equivalence margins of 5% (p < 0.05). Usually, the NCI method was significantly more accurate than the WPM method. We concluded that three non-consecutive 24 h recalls relative to three consecutive days increases accuracy. Two non-consecutive days can be substituted to some extent for three consecutive days. The new form of 24 h recall needs to be used with caution when applied practically in the China nutrition surveys. Furthermore, using the NCI method to calculate dietary intake from 24 h recall may be a way to reduce costs and increase accuracy.
Identification of Allergens in White- and Red-Fleshed Pitaya (Selenicereus undatus and Selenicereus costaricensis) Seeds Using Bottom-Up Proteomics Coupled with Immunoinformatics
Authors: Hao Mengzhen , Xijiri  , Zhao Ziyi , Che Huilian
Published: May 2022

White-fleshed pitaya (Selenicereus undatus) and red-fleshed pitaya (Selenicereus costaricensis) are becoming increasingly popular because of their nutritional and medicinal benefits. However, in addition to their beneficial properties, allergy to pitaya fruits has occurred in daily life. In this study, we investigated the protein profile of pitaya fruit seeds and focused on the most reactive proteins against immunoglobulin E (IgE) in sera from allergic patients by immunoblotting. A protein band of approximately 20 kDa displayed a clear reaction with the serum IgE. The protein bands of interest were excised, in-gel digested, and analyzed using liquid chromatography–tandem mass spectrometry (LC–MS/MS), followed by data searching against a restricted database (Caryophyllales in UniProtKB) for protein identification. Immunoinformatic tools were used to predict protein allergenicity. The potential allergens included cupin_1 and heat shock protein 70 (HSP70) in white-fleshed pitaya seeds, and cupin_1, heat shock protein 70, and heat shock protein sti1-like in red-fleshed pitaya seeds are potential allergens. The expression of potential allergens was further verified at the transcriptional level in the species of S. undatus and S. costaricensis.
Children’s School-Day Nutrient Intake in Ontario: A Cross-Sectional Observational Study Comparing Students’ Packed Lunches from Two School Schedules
Authors: Neilson Lisa J. , Macaskill Lesley A. , Luk Jonathan M. H. , Sharma Navreeti , Salvadori Marina I. , Seabrook Jamie A. , Dworatzek Paula D. N.
Published: May 2022

This study compared the caloric and nutrient values of packed lunch contents and consumption in the Balanced School Day (BSD) (two 20 min eating periods) versus the Traditional Schedule (TS) (one 20 min lunch). Foods consumed during school were assessed by direct food observation in 321 grade 3 and 4 students, aged 7–10 years, at 9 BSD and 10 TS elementary schools in Ontario. Packed lunch contents in the BSD were significantly higher than the TS in energy (3128.14 ± 1100.36 vs. 2658.98 ± 951.34 kJ, p < 0.001, respectively). Similarly, carbohydrates, total sugar, protein, fat, saturated fatty acids (SFA), calcium, iron, and sodium were significantly higher in the BSD versus TS packed lunches. Correspondingly, students in the BSD consumed significantly more energy, carbohydrates, total sugar, and SFA compared to the TS. Overall, lunches brought by students in the BSD schedule provided more energy across all macronutrients, with only a few micronutrients showing increased amounts, suggesting two 20 min eating opportunities could contribute to excess caloric intake during school, potentially contributing to the prevalence of childhood overweight and obesity in Canada. Furthermore, packed lunches in both schedules had excess amounts of nutrients of concern and much work is needed to ensure that children in Canada receive nutritious lunches at school.
Antimalarial Drug Strategies to Target Plasmodium Gametocytes
Authors: Munro Bruce A. , McMorran Brendan J.
Published: May 2022

Onward transmission of Plasmodium falciparum from humans to mosquitoes is dependent upon a specialised transmission stage called the gametocyte. Despite its critical role in transmission, key questions regarding gametocyte biology remain to be answered, and there are no widely prescribed therapeutics to eliminate them. Advances in our understanding of the biology of the gametocyte in combination with growing information regarding the mechanism of action of anti-plasmodial therapies provide an emerging view as to which of the biological processes of the gametocyte present viable targets for drug intervention and explain the variable activity of existing therapies. A deeper understanding of the gametocyte and transmission stages of P. falciparum is a path to identifying and characterising novel drug targets. This review will examine how a selection of current and potential gametocytocidals mediate their effect.
Effects of the Prior Use of Statins on Head and Neck Cancer Risk: A Hospital-Based Case–Control Study
Authors: Saka-Herrán Constanza , Jané-Salas Enric , Mano-Azul Antonio , Torrejón-Moya Aina , Estrugo-Devesa Albert , López-López José
Published: May 2022

Mechanisms related to the potential beneficial effects of statins on cancer are mainly related to the inhibition of the mevalonate pathway. The purpose of this study was to assess the association between prior use of statins and the risk of head and neck cancer. A hospital-based case–control study was conducted at the Dentistry Hospital of the University of Barcelona, including 101 incident cases of head and neck cancer and 101 controls matched to cases by age and sex. Multivariate logistic regression models were used to assess the association between prior statin exposure and head and neck cancer risk. Of the 202 patients included in total, 28.2% had previously received prescriptions for statins. Prior use of statins was found in 25.7% of cases and 30.7% of controls. Exposure to statins was not associated with head and neck cancer risk (OR = 0.72; 95% CI 0.28–1.84; p = 0.49). There was also no time- or dose-dependent association. Similar trends were observed when analyzed by subsites of cancer and recurrence rate. Our findings do not support a beneficial effect of prior statin exposure on head and neck cancer risk. Future research relying on observational data should emulate randomized clinical trials before clinical implications for repurposing drugs can be drawn.
Improving Antimicrobial Activity and Physico-Chemical Properties by Isosteric Replacement of 2-Aminothiazole with 2-Aminooxazole
Authors: Juhás Martin , Bachtíková Andrea , Nawrot Daria Elżbieta , Hatoková Paulína , Pallabothula Vinod Sukanth Kumar , Diepoltová Adéla , Janďourek Ondřej , Bárta Pavel , Konečná Klára , Paterová Pavla , Šesták Vít , Zitko Jan
Published: May 2022

Antimicrobial drug resistance is currently one of the most critical health issues. Pathogens resistant to last-resort antibiotics are increasing, and very few effective antibacterial agents have been introduced in recent years. The promising drug candidates are often discontinued in the primary stages of the drug discovery pipeline due to their unspecific reactivity (PAINS), toxicity, insufficient stability, or low water solubility. In this work, we investigated a series of substituted N-oxazolyl- and N-thiazolylcarboxamides of various pyridinecarboxylic acids. Final compounds were tested against several microbial species. In general, oxazole-containing compounds showed high activity against mycobacteria, especially Mycobacterium tuberculosis (best MICH37Ra = 3.13 µg/mL), including the multidrug-resistant strains. Promising activities against various bacterial and fungal strains were also observed. None of the compounds was significantly cytotoxic against the HepG2 cell line. Experimental measurement of lipophilicity parameter log k’w and water solubility (log S) confirmed significantly (typically two orders in logarithmic scale) increased hydrophilicity/water solubility of oxazole derivatives in comparison with their thiazole isosteres. Mycobacterial β-ketoacyl-acyl carrier protein synthase III (FabH) was suggested as a probable target by molecular docking and molecular dynamics simulations.
[99mTc]Tc-Labeled Plectin-Targeting Peptide as a Novel SPECT Probe for Tumor Imaging
Authors: Gong Jiali , Zhao Lingzhou , Yang Jiqin , Zhu Meilin , Zhao Jinhua
Published: May 2022

Certain receptors are often overexpressed during tumor occurrence and development and closely correlate with carcinogenesis. Owing to its overexpression on the cell membrane and cytoplasm of various tumors, plectin, which is involved in tumor proliferation, migration, and invasion, has been viewed as a promising target for cancer imaging. Hence, plectin-targeting agents have great potential as imaging probes for tumor diagnosis. In this study, we developed a [99mTc]Tc-labeled plectin-targeted peptide (PTP) as a novel single-photon emission computed tomography (SPECT) probe for tumor imaging and investigated its pharmacokinetics, biodistribution, and targeting ability in several types of tumor-bearing mouse models. The PTP had good biocompatibility and targeting ability to tumor cells in vitro and could be readily labeled with [99mTc]Tc after modification with the bifunctional chelator 6-hydrazino nicotinamide (HYNIC). Furthermore, the prepared [99mTc]Tc-labeled PTP ([99mTc]Tc-HYNIC-PTP) showed high radiochemical purity and excellent stability in vitro. In addition, favorable biodistribution, fast blood clearance, and clear accumulation of [99mTc]Tc-HYNIC-PTP in several types of tumors were observed, with a good correlation between tumor uptake and plectin expression levels. These results indicate the potential of [99mTc]Tc-HYNIC-PTP as a novel SPECT probe for tumor imaging.
Development of Anticancer Peptides Using Artificial Intelligence and Combinational Therapy for Cancer Therapeutics
Authors: Hwang Ji Su , Kim Seok Gi , Shin Tae Hwan , Jang Yong Eun , Kwon Do Hyeon , Lee Gwang
Published: May 2022

Cancer is a group of diseases causing abnormal cell growth, altering the genome, and invading or spreading to other parts of the body. Among therapeutic peptide drugs, anticancer peptides (ACPs) have been considered to target and kill cancer cells because cancer cells have unique characteristics such as a high negative charge and abundance of microvilli in the cell membrane when compared to a normal cell. ACPs have several advantages, such as high specificity, cost-effectiveness, low immunogenicity, minimal toxicity, and high tolerance under normal physiological conditions. However, the development and identification of ACPs are time-consuming and expensive in traditional wet-lab-based approaches. Thus, the application of artificial intelligence on the approaches can save time and reduce the cost to identify candidate ACPs. Recently, machine learning (ML), deep learning (DL), and hybrid learning (ML combined DL) have emerged into the development of ACPs without experimental analysis, owing to advances in computer power and big data from the power system. Additionally, we suggest that combination therapy with classical approaches and ACPs might be one of the impactful approaches to increase the efficiency of cancer therapy.