bluuebunny/crossref_metadata_2025 huggingface dataset:
Discovery of Antibacterial Compounds with Potential Multi-Pharmacology against Staphylococcus Mur ligase Family Members by In Silico Structure-Based Drug Screening
Authors: Teshima Mio , Monobe Kohei , Okubo Saya , Aoki Shunsuke
Published: August 2024

Staphylococcus aureus (S. aureus) is a major bacterial infection in humans, leading to severe disease and causing death. The stagnation of antibiotic development in recent decades has made it difficult to combat drug-resistant infections. In this study, we performed an in silico structure-based drug screening (SBDS) targeting the S. aureus MurE (saMurE) enzyme involved in cell wall synthesis of S. aureus. saMurE is an enzyme that is essential for the survival of S. aureus but not present in humans. SBDS identified nine saMurE inhibitor candidates, Compounds 1–9, from a structural library of 154,118 compounds. Among them, Compound 2 showed strong antibacterial activity against Staphylococcus epidermidis (S. epidermidis) used as a model bacterium. Amino acid sequence homology between saMurE and S. epidermidis MurE is 87.4%, suggesting that Compound 2 has a similar inhibitory effect on S. aureus. Compound 2 showed an IC50 value of 301 nM for S. epidermidis in the dose-dependent growth inhibition assay. Molecular dynamics simulation showed that Compound 2 binds stably to both S. aureus MurD and S. aureus MurF, suggesting that it is a potential multi-pharmacological pharmacological inhibitor. The structural and bioactivity information of Compound 2, as well as its potential multiple-target activity, could contribute to developing new antimicrobial agents based on MurE inhibition.
Synthesis of Coumarin-Based Photosensitizers for Enhanced Antibacterial Type I/II Photodynamic Therapy
Authors: Ma Min , Luo Lili , Liu Libing , Ding Yuxuan , Dong Yixuan , Fang Bing
Published: August 2024

Photodynamic therapy (PDT) is an effective method for treating microbial infections by leveraging the unique photophysical properties of photosensitizing agents, but issues such as fluorescence quenching and the restricted generation of reactive oxygen species (ROS) under hypoxic conditions still remain. In this study, we successfully synthesized and designed a coumarin-based aggregation-induced emission luminogen (AIEgen), called ICM, that shows a remarkable capacity for type I ROS and type II ROS generation. The 1O2 yield of ICM is 0.839. The ROS it produces include hydroxyl radicals (HO•) and superoxide anions (O2•−), with highly effective antibacterial properties specifically targeting Staphylococcus aureus (a Gram-positive bacterium). Furthermore, ICM enables broad-spectrum fluorescence imaging and exhibits excellent biocompatibility. Consequently, ICM, as a potent type I photosensitizer for eliminating pathogenic microorganisms, represents a promising tool in addressing the threat posed by these pathogens.
Numerical Modeling of Anisotropic Particle Diffusion through a Cylindrical Channel
Authors: Cieśla Michał , Dybiec Bartłomiej , Krasowska Monika , Siwy Zuzanna , Strzelewicz Anna
Published: August 2024

The transport of molecules and particles through single pores is the basis of biological processes, including DNA and protein sequencing. As individual objects pass through a pore, they cause a transient change in the current that can be correlated with the object size, surface charge, and even chemical properties. The majority of experiments and modeling have been performed with spherical objects, while much less is known about the transport characteristics of aspherical particles, which would act as a model system, for example, for proteins and bacteria. The transport kinetics of aspherical objects is an especially important, yet understudied, problem in nanopore analytics. Here, using the Wiener process, we present a simplified model of the diffusion of rod-shaped particles through a cylindrical pore, and apply it to understand the translation and rotation of the particles as they pass through the pore. Specifically, we analyze the influence of the particles’ geometrical characteristics on the effective diffusion type, the first passage time distribution, and the particles’ orientation in the pore. Our model shows that thicker particles pass through the channel slower than thinner ones, while their lengths do not affect the passage time. We also demonstrate that both spherical and rod-shaped particles undergo normal diffusion, and the first passage time distribution follows an exponential asymptotics. The model provides guidance on how the shape of the particle can be modified to achieve an optimal passage time.
Molecular Docking-Based Virtual Screening of FDA-Approved Drugs Using Trypanothione Reductase Identified New Trypanocidal Agents
Authors: Gómez-Escobedo Rogelio , Méndez-Álvarez Domingo , Vázquez Citlali , Saavedra Emma , Vázquez Karina , Alcántara-Farfán Verónica , Cordero-Martínez Joaquín , Gonzalez-Gonzalez Alonzo , Rivera Gildardo , Nogueda-Torres Benjamín
Published: August 2024

American trypanosomiasis or Chagas disease, caused by Trypanosoma cruzi (T. cruzi), affects approximately 6–7 million people worldwide. However, its pharmacological treatment causes several uncomfortable side effects, causing patients’ treatment abandonment. Therefore, there is a need for new and better treatments. In this work, the molecular docking of nine hundred twenty-four FDA-approved drugs on three different sites of trypanothione reductase of T. cruzi (TcTR) was carried out to find potential trypanocidal agents. Finally, biological evaluations in vitro and in vivo were conducted with the selected FDA-approved drugs. Digoxin, alendronate, flucytosine, and dihydroergotamine showed better trypanocidal activity than the reference drugs benznidazole and nifurtimox in the in vitro evaluation against the trypomastigotes form. Further, these FDA-approved drugs were able to reduce 20–50% parasitemia in a short time in an in vivo model, although with less efficiency than benznidazole. Therefore, the results suggest a combined therapy of repurposed and canonical drugs against T. cruzi infection.
Synthesis and Antiallergic Activity of Dicoumarin Derivatives
Authors: Zhang Yuying , Wang Xiaoyu , Zhou Dejun
Published: August 2024

Allergies are one of the diseases whose incidence rates have increased in recent years due to the greenhouse effect and extreme climate change. Therefore, the development of new antiallergic drugs has attracted the interest of researchers in chemistry and pharmacy fields. Dicoumarin is a coumarin derivative with various biological activities, but its antiallergic activity has not been evaluated. In this study, 14 different dicoumarin derivatives were synthesized by diethylamine-catalyzed condensation reactions of 4-hydroxycoumarin with 14 different aldehydes, and they were identified on the basis of their spectral data. The dicoumarin derivatives were subjected to studies on the degranulation of rat basophilic leukemia cells (RBL-2H3 cells) and mouse bone-marrow-derived mast cells (mBMMCs), and some of them showed good inhibitory effects on the degranulation of the two types of mast cells, demonstrating their good antiallergic activity. This study presents a new method of developing new antiallergic drugs.
Impact of Incorporating Dried Chaga Mushroom (Inonotus obliquus) into Gluten-Free Bread on Its Antioxidant and Sensory Characteristics
Authors: Kobus Zbigniew , Krzywicka Monika , Blicharz-Kania Agata , Bosacka Alicja , Pecyna Anna , Ivanišová Eva , Kozłowicz Katarzyna , Kovačiková Eva
Published: August 2024

Gluten-free bread is increasingly popular among individuals with celiac disease, and The incorporation of mushroom flour offers a novel method to enhance its nutritional profile, antioxidant content, and sensory properties. This study aimed to evaluate the antioxidant and sensory characteristics of gluten-free bread with varying amounts of chaga mushroom flour (5%, 10%, 15%, 20%). The total contents of polyphenols and flavonoids were measured using a spectrophotometric method. Antioxidant activity was assessed through DPPH and FRAP methods, while textural properties were evaluated using the TPA test. Bread colour was analysed using the CIELab system, and sensory evaluation was performed by a panel of trained consumers. The results showed that gluten-free bread enriched with chaga flour had increased polyphenol and flavonoid content and enhanced antioxidant activity. The highest levels of polyphenols, flavonoids, DPPH, and FRAP activity were found in bread with 20% chaga. The addition of chaga mushroom significantly affected the bread’s hardness, cohesiveness, and chewiness. Specifically, 20% chaga flour had the most pronounced effect on hardness and elasticity, while 15% chaga flour had the greatest impact on chewiness and cohesiveness. The bread’s colour darkened with higher chaga concentrations. The results of sensory evaluation showed a negative correlation between consumer preferences and bread fortified with chaga mushroom flour. The overall consumer acceptability score indicates that only a small addition of mushroom flour (up to 10%) can be used to bake gluten-free bread.
Using Extracted Sugars from Spoiled Date Fruits as a Sustainable Feedstock for Ethanol Production by New Yeast Isolates
Authors: Antonopoulou Georgia , Kamilari Maria , Georgopoulou Dimitra , Ntaikou Ioanna
Published: August 2024

This study focuses on investigating sugar recovery from spoiled date fruits (SDF) for sustainable ethanol production using newly isolated yeasts. Upon their isolation from different food products, yeast strains were identified through PCR amplification of the D1/D2 region and subsequent comparison with the GenBank database, confirming isolates KKU30, KKU32, and KKU33 as Saccharomyces cerevisiae; KKU21 as Zygosaccharomyces rouxii; and KKU35m as Meyerozyma guilliermondii. Optimization of sugar extraction from SDF pulp employed response surface methodology (RSM), varying solid loading (20–40%), temperature (20–40 °C), and extraction time (10–30 min). Linear models for sugar concentration (R1) and extraction efficiency (R2) showed relatively high R2 values, indicating a good model fit. Statistical analysis revealed significant effects of temperature and extraction time on extraction efficiency. The results of batch ethanol production from SDF extracts using mono-cultures indicated varying consumption rates of sugars, biomass production, and ethanol yields among strains. Notably, S. cerevisiae strains exhibited rapid sugar consumption and high ethanol productivity, outperforming Z. rouxii and M. guilliermondii, and they were selected for scaling up the process at fed-batch mode in a co-culture. Co-cultivation resulted in complete sugar consumption and higher ethanol yields compared to mono-cultures, whereas the ethanol titer reached 46.8 ± 0.2 g/L.
Mechanical and Lattice Thermal Properties of Si-Ge Lateral Heterostructures
Authors: Zhao Liuhuan , Huang Lei , Wang Ke , Mu Weihua , Wu Qiong , Ma Zhen , Ren Kai
Published: August 2024

Two-dimensional (2D) materials have drawn extensive attention due to their exceptional characteristics and potential uses in electronics and energy storage. This investigation employs simulations using molecular dynamics to examine the mechanical and thermal transport attributes of the 2D silicene–germanene (Si-Ge) lateral heterostructure. The pre-existing cracks of the Si-Ge lateral heterostructure are addressed with external strain. Then, the effect of vacancy defects and temperature on the mechanical attributes is also investigated. By manipulating temperature and incorporating vacancy defects and pre-fabricated cracks, the mechanical behaviors of the Si-Ge heterostructure can be significantly modulated. In order to investigate the heat transport performance of the Si-Ge lateral heterostructure, a non-equilibrium molecular dynamics approach is employed. The efficient phonon average free path is obtained as 136.09 nm and 194.34 nm, respectively, in the Si-Ge heterostructure with a zigzag and armchair interface. Our results present the design and application of thermal management devices based on the Si-Ge lateral heterostructure.
Exploring Aromaticity Effects on Electronic Transport in Cyclo[n]carbon Single-Molecule Junctions
Authors: Yang Peiqi , Pan Haoyang , Wang Yudi , Li Jie , Dong Yangyu , Wang Yongfeng , Hou Shimin
Published: August 2024

Cyclo[n]carbon (Cn) is one member of the all-carbon allotrope family with potential applications in next-generation electronic devices. By employing first-principles quantum transport calculations, we have investigated the electronic transport properties of single-molecule junctions of Cn, with n = 14, 16, 18, and 20, connected to two bulk gold electrodes, uncovering notable distinctions arising from the varying aromaticities. For the doubly aromatic C14 and C18 molecules, slightly deformed complexes at the singlet state arise after bonding with one Au atom at each side; in contrast, the reduced energy gaps between the highest occupied and the lowest unoccupied molecular orbitals due to the orbital reordering observed in the doubly anti-aromatic C16 and C20 molecules lead to heavily deformed asymmetric complexes at the triplet state. Consequently, spin-unpolarized transmission functions are obtained for the Au-C14/18-Au junctions, while spin-polarized transmission appears in the Au-C16/20-Au junctions. Furthermore, the asymmetric in-plane π-type hybrid molecular orbitals of the Au-C16/20-Au junctions contribute to two broad but low transmission peaks far away from the Fermi level (Ef), while the out-of-plane π-type hybrid molecular orbitals dominate two sharp transmission peaks that are adjacent to Ef, thus resulting in much lower transmission coefficients at Ef compared to those of the Au-C14/18-Au junctions. Our findings are helpful for the design and application of future cyclo[n]carbon-based molecular electronic devices.
Meso-Macroporous Hydroxyapatite Powders Synthesized in Polyvinyl Alcohol or Polyvinylpyrrolidone Media
Authors: Antonova Olga S. , Goldberg Margarita A. , Fomin Alexander S. , Kucheryaev Kirill A. , Konovalov Anatoliy A. , Sadovnikova Margarita A. , Murzakhanov Fadis F. , Sitnikov Aleksey I. , Leonov Alexander V. , Andreeva Nadezhda A. , Khayrutdinova Dinara R. , Gafurov Marat R. , Barinov Sergey M. , Komlev Vladimir S.
Published: August 2024

Mesoporous hydroxyapatite (HA) is widely used in various applications, such as the biomedical field, as a catalytic, as a sensor, and many others. The aim of this work was to obtain HA powders by means of chemical precipitation in a medium containing a polymer—polyvinyl alcohol or polyvinylpyrrolidone (PVP)—with concentrations ranging from 0 to 10%. The HA powders were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, atomic emission spectroscopy with inductively coupled plasma, electron paramagnetic resonance, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The specific surface area (SSA), pore volume, and pore size distributions were determined by low-temperature nitrogen adsorption measurements, and the zeta potential was established. The formation of macropores in powder agglomerates was determined using SEM and TEM. The synthesis in 10% PVP increased the SSA from 101.3 to 158.0 m2/g, while the ripening for 7 days led to an increase from 112.3 to 195.8 m2/g, with the total pore volume rising from 0.37 to 0.71 cm3/g. These materials could be classified as meso-macroporous HA. Such materials can serve as the basis for various applications requiring improved textural properties and may lay the foundation for the creation of bulk 3D materials using a technique that allows for the preservation of their unique pore structure.
Objectively Measured Sleep Duration and Health-Related Quality of Life in Older Adults with Metabolic Syndrome: A One-Year Longitudinal Analysis of the PREDIMED-Plus Cohort
Authors: Marcos-Delgado Alba , Martín-Sánchez Vicente , Martínez-González Miguel Ángel , Corella Dolores , Salas-Salvadó Jordi , Schröder Helmut , Martínez Alfredo , Alonso-Gómez Ángel M. , Wärnberg Julia , Vioque Jesús , Romaguera Dora , López-Miranda José , Estruch Ramon , Tinahones Francisco J. , Santos-Lozano José M. , Álvarez-Pérez Jacqueline , Bueno-Cavanillas Aurora , Cano-Ibáñez Naomi , Amezcua-Prieto Carmen , Hernández-Segura Natalia , Tur Josep A. , Pintó Xavier , Delgado-Rodríguez Miguel , Matía-Martín Pilar , Vidal Josep , Vázquez Clotilde , Daimiel Lidia , Ros Emili , Toledo Estefanía , Garcidueñas-Fimbres Tany E. , Viaplana Judith , Asensio Eva M. , Zomeño María D. , Garcia-Rios Antonio , Oncina-Cánovas Alejandro , Barón-López Francisco Javier , Pérez-Farinos Napoleón , Sayon-Orea Carmen , Galmés-Panadés Aina M. , Casas Rosa , Tojal-Sierra Lucas , Gómez-Pérez Ana M. , Buil-Corsiales Pilar , García-Gavilán Jesús F. , Ortega-Azorín Carolina , Castañer Olga , Peña-Orihuela Patricia J. , González-Palacios Sandra , Babio Nancy , Fitó Montse , Nieto Javier
Published: August 2024

The aim of our cross-sectional and longitudinal study is to assess the relationship between daytime and night-time sleep duration and health-related quality of life (HRQoL) in adults with metabolic syndrome after a 1-year healthy lifestyle intervention. Analysis of the data from 2119 Spanish adults aged 55–75 years from the PREDIMED-Plus study was performed. Sleep duration was assessed using a wrist-worn accelerometer. HRQoL was measured using the SF-36 questionnaire. Linear regression models adjusted for socioeconomic and lifestyle factors and morbidity were developed. In cross-sectional analyses, participants with extreme night-time sleep duration categories showed lower physical component summary scores in Models 1 and 2 [β-coefficient (95% confidence interval) <6 h vs. 7–9 h: −2, 3 (−3.8 to −0.8); p = 0.002. >9 h vs. 7–9 h: −1.1 (−2.0 to −0.3); p = 0.01]. Participants who sleep less than 7 h a night and take a nap are associated with higher mental component summary scores [β-coefficient (95% confidence interval) 6.3 (1.3 to 11.3); p = 0.01]. No differences between night-time sleep categories and 12-month changes in HRQoL were observed. In conclusion, in cross-sectional analyses, extremes in nocturnal sleep duration are related to lower physical component summary scores and napping is associated with higher mental component summary scores in older adults who sleep less than 7 h a night.
The Concentration of Salivary Extracellular Vesicles Is Related to Obesity
Authors: Röhrborn Kristin , Krueger Martin , Kalusa Mirjam , Fietz Simone A. , Ewe Alexander , Aigner Achim , Stumvoll Michael , Kovacs Peter , Blüher Matthias , Schamarek Imke , Rohde-Zimmermann Kerstin
Published: August 2024

Background and aims: Saliva is essential for the proper dilution and distribution of taste molecules on the tongue. It harbors extracellular vesicles (EVs), which mediate cell–cell communication. Changes in the composition of salivary EVs may arise under obese conditions and may potentially be involved in taste sensation and dysregulated eating behavior. Therefore, this study addresses the relationship between the size and concentration of salivary EVs and metabolic shifts in obesity or factors of taste sensation. Materials and methods: A total of 119 participants in the Obese Taste Bud (OTB) Study were included, who performed a standardized taste test, underwent taste bud density assessment, and were phenotypically characterized for anthropometrics, blood- and saliva adipokine levels, and various metabolic factors. Utilizing size exclusion chromatography followed by ultrafiltration, EVs were extracted from 2 mL of actively secreted saliva. EVs were characterized using nanoparticle tracking analyses, Western blot, and scanning transmission electron microscopy. Finally, group comparisons and bivariate correlation analyses were conducted. Results: Among the total cohort, the median size of salivary EVs was 190.05 nm, and the overall concentration ranged from 1.4 × 107 to 1.76 × 109 per mL of saliva. The size range and concentration of EVs per mL are negatively correlated (p = 0.0002, r = −0.264). Comparing lean participants (mean rank of 45.98) with those presenting obesity (mean rank of 34.46), a significant difference in the salivary EV content was observed (p = 0.029). Body weight, BMI, arm and calf circumferences, as well as the percentage of body fat were all negatively related to the concentration of EVs in all study participants (all p < 0.05, r > −0.2). No associations were found between the EV parameters and taste perception but serum alkaline phosphatase levels were negatively correlated (p = 0.007, r = −0.284) and adiponectin serum levels were positively correlated to the EV concentration (p = 0.036, r = 0.208). Conclusion: The current study provides evidence for the relation between salivary EVs and anthropometric as well as metabolic parameters of obesity. This can provide the basis for further research on the cargo of salivary EVs and how they may influence taste sensation, and may elucidate their potential connection to altered eating habits in obesity.
Seed Disinfection Treatments Minimized Microbial Load and Enhanced Nutritional Properties of Fenugreek Sprouts Which Alleviated Diabetes-Negative Disorders in Diabetic Rats
Authors: Dahab Abeer A. , Bayomy Hala M. , El-Salam Hemat S. Abd , Almasoudi Seham E. , Ozaybi Nawal A. , Mahmoud Gehan A. , Atteya Amira K. G. , El-Serafy Rasha S.
Published: August 2024

Sprouts are an attractive food product that contains high amounts of nutritional substances and has pro-health features. Sprout consumption has strongly increased despite its potential risk to health due to its microbial load. Both the safety and shelf life of sprouts may be negatively affected by a high microbial load. To reduce the microbial contamination in sprouts before consumption, the initial microbial load on the seeds needs to be controlled. Many herbal sprouts have been recommended for diabetes, and fenugreek is one of these sprouts. Thus, the current experiment aimed at disinfecting fenugreek seeds using microwave (5, 10, and 20 s) and hot water (30, 45, and 60 s) treatments for different durations. The best-disinfected sprouts with the highest nutritional properties were used to evaluate their influence on streptozocin-induced diabetic rats in comparison with fenugreek seed feeding. Microwave treatments showed the highest sprout length, fresh weight, total free amino acids, antioxidants, reducing sugars, and total phenols. Additionally, microwave seed treatments showed the lowest bacteria and mold counts on sprouts produced relative to hot water treatments, and the best seed treatment was a microwave for 20 s, which gave the best values in this respect. Feeding diabetic rats with different fenugreek seeds or sprout rates (0, 5, 7.5, and 10% w/w) improved body weight, restricted the growth of glucose levels, lowered total cholesterol and triglycerides, and improved HDL compared with the positive control group, and fenugreek sprouts at higher rates showed the maximum improvements in blood glucose, total cholesterol, and triglycerides. Treating fenugreek seed with microwave radiation for 20 s to disinfect the seeds before sprouting is recommended for lowering the microbial load with optimum nutritional and antioxidant activity, and feeding diabetic rats with these sprouts at the rate of 7.5 and 10% had promising effects on hyperglycemia and associated disorders.
Dietary Flavonoids: Mitigating Air Pollution’s Cardiovascular Risks
Authors: Rocha-Velasco Oscar Andrés , Morales-Suárez-Varela María , Llopis-González Agustín
Published: August 2024

Air pollution significantly impacts cardiovascular health, yet pollution reduction strategies in cardiovascular disease prevention remain limited. Dietary flavonoids show promise in protecting cardiovascular health, but their potential to mitigate air-pollution-induced risks is unexplored. This study investigates this research gap. Following PRISMA-ScR guidelines, literature from 2014–2024 was searched across MedLine/PubMed, ScienceDirect, and MDPI databases. Of 463 identified studies, 53 were eligible for analysis based on PICO criteria. Findings revealed significant impacts of air pollution on cardiovascular health, including increased disease risks and mortality. Flavonoid intake demonstrated protective effects against these risks. Flavonoid mechanisms include improved endothelial function, antioxidant and anti-inflammatory effects, blood pressure regulation, antiplatelet effects, cardioprotection, and enhanced lipid and glucose metabolism. Higher flavonoid intake was consistently associated with reduced cardiovascular risks. While reducing pollution remains crucial, promoting flavonoid-rich diets is a promising complementary strategy. Public health initiatives should raise awareness about these benefits. Further research on direct interactions between flavonoid intake and air pollution exposure is needed. Current evidence supports integrating dietary interventions into broader strategies to reduce air pollution’s cardiovascular impacts.
Effects of Physical Exercise on the Microbiota in Irritable Bowel Syndrome
Authors: Li Chunpeng , Li Jianmin , Zhou Qiaorui , Wang Can , Hu Jiahui , Liu Chang
Published: August 2024

Irritable bowel syndrome (IBS) is a prevalent functional gastrointestinal disorder characterized by abdominal pain, bloating, diarrhea, and constipation. Recent studies have underscored the significant role of the gut microbiota in the pathogenesis of IBS. Physical exercise, as a non-pharmacological intervention, has been proposed to alleviate IBS symptoms by modulating the gut microbiota. Aerobic exercise, such as running, swimming, and cycling, has been shown to enhance the diversity and abundance of beneficial gut bacteria, including Lactobacillus and Bifidobacterium. These bacteria produce short-chain fatty acids that possess anti-inflammatory properties and support gut barrier integrity. Studies involving IBS patients participating in structured aerobic exercise programs have reported significant improvements in their gut microbiota’s composition and diversity, alongside an alleviation of symptoms like abdominal pain and bloating. Additionally, exercise positively influences mental health by reducing stress and improving mood, which can further relieve IBS symptoms via the gut–brain axis. Long-term exercise interventions provide sustained benefits, maintaining the gut microbiota’s diversity and stability, supporting immune functions, and reducing systemic inflammation. However, exercise programs must be tailored to individual needs to avoid exacerbating IBS symptoms. Personalized exercise plans starting with low-to-moderate intensity and gradually increasing in intensity can maximize the benefits and minimize risks. This review examines the impact of various types and intensities of physical exercise on the gut microbiota in IBS patients, highlighting the need for further studies to explore optimal exercise protocols. Future research should include larger sample sizes, longer follow-up periods, and examine the synergistic effects of exercise and other lifestyle modifications. Integrating physical exercise into comprehensive IBS management plans can enhance symptom control and improve patients’ quality of life.
Associations of Perchlorate, Nitrate, and Thiocyanate with Bone Mineral Density in the US General Population: A Multi-Cycle Study of NHANES 2011–2018
Authors: Wang Donglan , Zhang Ying , He Yayu , Song Fengmei , Tang Yan , Chen Limou , Wang Yangcan , Yang Fei , Yao Xueqiong
Published: August 2024

Background: Perchlorate, nitrate, and thiocyanate are widely recognized as endocrine disrupting chemicals, which are closely related to thyroid function. Animal and human studies show a correlation between thyroid hormone and bone mineral density (BMD). However, it remains unknown whether perchlorate, nitrate, and thiocyanate were associated with BMD. This study aimed to explore the association between perchlorate, nitrate, and thiocyanate exposure with BMD. Method: A cross-sectional analysis among 5607 participants from the 2011–2018 National Health and Nutrition Examination Survey (NHANES) was conducted in the present study. Perchlorate, nitrate, and thiocyanate were detected in urine by ion chromatography. Survey-weighted generalized linear regression, restricted cubic splines, and qgcomp models were used to assess the association of BMDs with single and mixed perchlorate, nitrate, and thiocyanate exposures. In addition, age, gender, and BMI stratified these associations. Results: Negative associations were found between perchlorate and nitrate with BMDs. Furthermore, based on the qgcomp model results, the combined association of perchlorate, nitrate, and thiocyanate exposure was negatively associated with BMDs (β = −0.017, 95% CI: −0.041, −0.024 for total BMD; β = −0.017, 95% CI: −0.029, −0.005 for lumbar BMD). Additionally, there was a significant effect after gender, age, and BMI stratification between perchlorate, nitrate, and thiocyanate with BMDs in the normal weight group (β = −0.015, 95% CI: −0.020, −0.011 for total BMD; β = −0.022, 95% CI: −0.028, −0.016 for lumbar BMD) and children and adolescents group (β = −0.025, 95% CI: −0.031, −0.019 for total BMD; β −0.017, 95% CI: −0.029, −0.005 for lumbar BMD). Conclusions: The present study indicated a negative correlation between BMDs and urinary perchlorate, nitrate, and thiocyanate levels, with nitrate being the main contributor to the mixture effect. People with normal weight and children and adolescents were more likely to be affected.
Gut Microbiome Is Related to Cognitive Impairment in Peritoneal Dialysis Patients
Authors: Martín-del-Campo Fabiola , Vega-Magaña Natali , Salazar-Félix Noé , Cueto-Manzano Alfonso , Peña-Rodríguez Marcela , Cortés-Sanabria Laura , Romo-Flores María , Rojas-Campos Enrique
Published: August 2024

Gut microbiota disturbances may influence cognitive function, increasing uremic toxins and inflammation in dialysis patients; therefore, we aimed to evaluate the association of the gut microbiota profile with cognitive impairment (CI) in patients on automated peritoneal dialysis (APD). In a cross-sectional study, cognitive function was evaluated using the Montreal Cognitive Assessment in 39 APD patients and classified as normal cognitive function and CI. The gut microbiota was analyzed using the 16S rRNA gene sequencing approach. All patients had clinical, biochemical and urea clearance evaluations. Eighty-two percent of patients were men, with a mean age of 47 ± 24 years and 11 (7–48) months on PD therapy; 64% had mild CI. Patients with CI were older (53 ± 16 vs. 38 ± 14, p = 0.006) and had a higher frequency of diabetes mellitus (56% vs. 21%, p = 0.04) and constipation (7% vs. 48%, p = 0.04) and lower creatinine concentrations (11.3 ± 3.7 vs. 14.9 ± 5.4, p = 0.02) compared to normal cognitive function patients. Patients with CI showed a preponderance of S24_7, Rikenellaceae, Odoribacteraceae, Odoribacter and Anaerotruncus, while patients without CI had a greater abundance of Dorea, Ruminococcus, Sutterella and Fusobacteria (LDA score (Log10) > 2.5; p < 0.05). After glucose and age adjustment, Odoribacter was still associated with CI. In conclusion, patients with CI had a different gut microbiota characterized by the higher abundance of indole-producing and mucin-fermenting bacteria compared to normal cognitive function patients.
Association of Salty and Sweet Taste Recognition with Food Reward and Subjective Control of Eating Behavior
Authors: Schamarek Imke , Richter Florian Christoph , Finlayson Graham , Tönjes Anke , Stumvoll Michael , Blüher Matthias , Rohde-Zimmermann Kerstin
Published: August 2024

Sweet and salty tastes are highly palatable and drive food consumption and potentially uncontrolled eating, but it remains unresolved whether the ability to recognize sweet and salty affects food reward and uncontrolled eating. We investigate the association of sweet and salty taste recognition with liking and wanting and uncontrolled eating. Thirty-eight, mainly female (68%) participants of the Obese Taste Bud study, between 22 and 67 years old, with a median BMI of 25.74 kg/m2 (interquartile range: 9.78 kg/m2) completed a taste test, the Leeds Food Preference Questionnaire to assess food reward, the Power of Food Scale (PFS) and the Three-Factor Eating Questionnaire to assess different aspects of uncontrolled eating. Better salty taste recognition predicted greater implicit wanting for high-fat savory foods (β = 0.428, p = 0.008) and higher PFS total (β = 0.315; p = 0.004) and PFS present subscale scores (β = 0.494, p = 0.002). While neither sweet nor salty taste recognition differed between lean individuals and individuals with obesity, those with greater trait uncontrolled eating showed significantly better salty taste recognition (U = 249.0; p = 0.009). Sweet taste recognition did not associate with food reward or uncontrolled eating. Better salty but not sweet taste recognition associates with a greater motivation for, but not liking of, particularly savory high-fat foods and further relates to greater loss of control over eating. Salty taste perception, with taste recognition in particular, may comprise a target to modulate food reward and uncontrolled eating.
Cardiovascular Risk Factors as Predictors of Nutritional Status in Older Mexican Adults
Authors: Hernández-Torres Dennys Alexandra , López-Hernández Myrna Elizabeth , Camacho-Moll Maria Elena , Bermúdez de León Mario , Peñuelas-Urquides Katia , González-Escalante Laura Adiene , González-Reyna Román , García-Leija Darinka Laillete , Escobedo-Guajardo Brenda Leticia
Published: August 2024

Aging is commonly accompanied by increased cardiovascular risk and diet plays a crucial role in health condition. The aim of this study was to determine cardiovascular risk factors as predictors of nutritional risk in Mexican older adults. A cross-sectional study on Mexican patients aged ≥60 years with cardiovascular risk factors affiliated with a medical unit in Northeast Mexico was performed from July to December 2021. The nutritional risk evaluations were performed using the Mini Nutritional Assessment (MNA) questionnaire. After a multivariate analysis, the cardiovascular risk factors identified as independent predictors of risk of malnutrition were hypertriglyceridemia (adjusted OR (AOR): 1.8; 95% CI: 1.03–3.14; p = 0.04) and systolic hypertension I (AOR: 2.28; 95% CI: 1.04–5.02; p = 0.041); age over 80 years (AOR: 5.17; 95% CI: 1.83–14.65, p = 0.002) and elementary school education (AOR: 2.34; 95% CI: 1.20–4.55; p = 0.013) were also related. The cross-sectional design and single-center approach of this study limits the generalizability of the results; however, conducting timely evaluations of blood pressure, triglyceride levels, and risk of malnutrition using the MNA tool for patients aged ≥60 years could prevent illness and reduce mortality within this population group.
Nicotinamide Suppresses Hyperactivation of Dendritic Cells to Control Autoimmune Disease through PARP Dependent Signaling
Authors: Cao Ai-Ping , Wang Yun-Ying , Shen Yan-Yan , Liu Yan-Hong , Liu Jia-Yu , Wang Yao , Guo Yue , Wang Rui-Bo , Xie Bo-Yang , Pan Xin , Li Ai-Ling , Xia Qing , Zhang Wei-Na , Zhou Tao
Published: August 2024

Dendritic cells (DCs) are crucial in initiating and shaping both innate and adaptive immune responses. Clinical studies and experimental models have highlighted their significant involvement in various autoimmune diseases, positioning them as promising therapeutic targets. Nicotinamide (NAM), a form of vitamin B3, with its anti-inflammatory properties, has been suggested, while the involvement of NAM in DCs regulation remains elusive. Here, through analyzing publicly available databases, we observe substantial alterations in NAM levels and NAM metabolic pathways during DCs activation. Furthermore, we discover that NAM, but not Nicotinamide Mononucleotide (NMN), significantly inhibits DCs over-activation in vitro and in vivo. The suppression of DCs hyperactivation effectively alleviates symptoms of psoriasis. Mechanistically, NAM impairs DCs activation through a Poly (ADP-ribose) polymerases (PARPs)-NF-κB dependent manner. Notably, phosphoribosyl transferase (NAMPT) and PARPs are significantly upregulated in lipopolysaccharide (LPS)-stimulated DCs and psoriasis patients; elevated NAMPT and PARPs expression in psoriasis patients correlates with higher psoriasis area and severity index (PASI) scores. In summary, our findings underscore the pivotal role of NAM in modulating DCs functions and autoimmune disorders. Targeting the NAMPT-PARP axis emerges as a promising therapeutic approach for DC-related diseases.
Staphylococcal Enterotoxins: Description and Importance in Food
Authors: Cieza Mirian Yuliza Rubio , Bonsaglia Erika Carolina Romão , Rall Vera Lucia Mores , Santos Marcos Veiga dos , Silva Nathália Cristina Cirone
Published: August 2024

Staphylococcus aureus stands out as one of the most virulent pathogens in the genus Staphylococcus. This characteristic is due to its ability to produce a wide variety of staphylococcal enterotoxins (SEs) and exotoxins, which in turn can cause staphylococcal food poisoning (SFP), clinical syndromes such as skin infections, inflammation, pneumonia, and sepsis, in addition to being associated with the development of inflammation in the mammary glands of dairy cattle, which results in chronic mastitis and cell necrosis. SEs are small globular proteins that combine superantigenic and emetic activities; they are resistant to heat, low temperatures, and proteolytic enzymes and are tolerant to a wide pH range. More than 24 SE genes have been well described (SEA-SEE, SEG, SEH, SEI, SEJ, SElK, SElL, SElM, SElN, SElO, SElP, SElQ, SElR, SElS, SElT, SElU, SElV, SElW, SElX, SElY, and SElZ), being a part of different SFP outbreaks, clinical cases, and isolated animal strains. In recent years, new genes (sel26, sel27, sel28, sel31, sel32, and sel33) from SEs have been described, as well as two variants (seh-2p and ses-3p) resulting in a total of thirty-three genes from Ses, including the nine variants that are still in the process of genetic and molecular structure evaluation. SEs are encoded by genes that are located in mobile genetic elements, such as plasmids, prophages, pathogenicity islands, and the enterotoxin gene cluster (egc), and housed in the genomic island of S. aureus. Both classical SEs and SE-like toxins (SEls) share phylogenetic relationships, structure, function, and sequence homology, which are characteristics for the production of new SEs through recombination processes. Due to the epidemiological importance of SEs, their rapid assessment and detection have been crucial for food security and public health; for this reason, different methods of identification of SEs have been developed, such as liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS), molecular methods, and whole-genome sequencing; providing the diagnosis of SEs and a better understanding of the occurrence, spread, and eradication of SEs. This review provides scientific information on the enterotoxins produced by S. aureus, such as structural characteristics, genetic organization, regulatory mechanisms, superantigen activity, mechanisms of action used by SEs at the time of interaction with the immune system, methods of detection of SEs, and recent biocontrol techniques used in food.
Hepatitis C Elimination in Egypt: Story of Success
Authors: Gomaa Asmaa , Gomaa Mohamed , Allam Naglaa , Waked Imam
Published: August 2024

Egypt has long been overwhelmed by the hepatitis C virus (HCV) infection, and it used to be the country with the world’s highest prevalence rates. The disease had been a significant public health problem, affecting millions of Egyptians and posing severe economic and social challenges. By the early 2000s, it was estimated that around 10% of the Egyptian population was infected with HCV. However, in recent years, with the availability of direct-acting antiviral therapies, the country has made enormous steps in combating this public health threat. The combination of innovative health strategies and political will enabled Egypt to establish a successful model of care for HCV management and to be the first country to eliminate hepatitis C, setting a model for the rest of the world. In 2023, Egypt became the first country to fulfill the World Health Organization’s set programmatic criteria of reduction of hepatitis C incidence and mortalities to levels close to elimination of disease or achieve the “gold tier” status on the path to disease elimination.
Nanoparticle-Based Drug Delivery Systems in Inhaled Therapy: Improving Respiratory Medicine
Authors: Cojocaru Elena , Petriș Ovidiu Rusalim , Cojocaru Cristian
Published: August 2024

Inhaled nanoparticle (NP) therapy poses intricate challenges in clinical and pharmacodynamic realms. Recent strides have revolutionized NP technology by enabling the incorporation of diverse molecules, thus circumventing systemic clearance mechanisms and enhancing drug effectiveness while mitigating systemic side effects. Despite the established success of systemic NP delivery in oncology and other disciplines, the exploration of inhaled NP therapies remains relatively nascent. NPs loaded with bronchodilators or anti-inflammatory agents exhibit promising potential for precise distribution throughout the bronchial tree, offering targeted treatment for respiratory diseases. This article conducts a comprehensive review of NP applications in respiratory medicine, highlighting their merits, ranging from heightened stability to exacting lung-specific delivery. It also explores cutting-edge technologies optimizing NP-loaded aerosol systems, complemented by insights gleaned from clinical trials. Furthermore, the review examines the current challenges and future prospects in NP-based therapies. By synthesizing current data and perspectives, the article underscores the transformative promise of NP-mediated drug delivery in addressing chronic conditions such as chronic obstructive pulmonary disease, a pressing global health concern ranked third in mortality rates. This overview illuminates the evolving landscape of NP inhalation therapies, presenting optimistic avenues for advancing respiratory medicine and improving patient outcomes.
Advances in Cyclodextrins and Their Derivatives in Nano-Delivery Systems
Authors: Ji Xin-Yu , Zou Yi-Xuan , Lei Han-Fang , Bi Yong , Yang Rui , Tang Ji-Hui , Jin Qing-Ri
Published: August 2024

The diversity of cyclodextrins and their derivatives is increasing with continuous research. In addition to monomolecular cyclodextrins with different branched chains, cyclodextrin-based polymers have emerged. The aim of this review is to summarize these innovations, with a special focus on the study of applications of cyclodextrins and their derivatives in nano-delivery systems. The areas covered include nanospheres, nano-sponges, nanogels, cyclodextrin metal–organic frameworks, liposomes, and emulsions, providing a comprehensive and in-depth understanding of the design and development of nano-delivery systems.
15th Anniversary of Pharmaceutics—Advances in Process and Formulation Modeling
Authors: Bilgili Ecevit , Poozesh Sadegh
Published: August 2024

The modeling of processes and formulations significantly enhances product development in the pharmaceutical industry [...]
Refining Mark Burgin’s Case against the Church–Turing Thesis
Authors: Daylight Edgar Graham
Published: August 2024

The outputs of a Turing machine are not revealed for inputs on which the machine fails to halt. Why is an observer not allowed to see the generated output symbols as the machine operates? Building on the pioneering work of Mark Burgin, we introduce an extension of the Turing machine model with a visible output tape. As a subtle refinement to Burgin’s theory, we stipulate that the outputted symbols cannot be overwritten: at step i, the content of the output tape is a prefix of the content at step j, where i<j. Our Refined Burgin Machines (RBMs) compute more functions than Turing machines, but fewer than Burgin’s simple inductive Turing machines. We argue that RBMs more closely align with both human and electronic computers than Turing machines do. Consequently, RBMs challenge the dominance of Turing machines in computer science and beyond.
The Genetic Diversity of the Macrophyte Ceratophyllum demersum in Backwaters Reflects Differences in the Hydrological Connectivity and Water Flow Rate of Habitats
Authors: Engloner Attila I. , Németh Kitti , Bereczki Judit
Published: August 2024

Macrophytes often live in fluvial backwaters that have a variety of hydrological connections to a main river. Since the ability of these plants to adapt to changing environments may depend on the genetic diversity of the populations, it is important to know whether it can be influenced by habitat characteristics. We examined the microsatellite polymorphism of the submerged macrophyte Ceratophyllum demersum from various backwaters and showed that the genetic diversity of this plant clearly reflects habitat hydrological differences. The greatest genetic variability was found in a canal system where constant water flow maintained a direct connection between the habitats and the river. In contrast, an isolated backwater on the protected side of the river had the lowest plant genetic diversity. Oxbows permanently connected to the branch system with static or flowing water, and former river branches temporarily connected to the main bed contained populations with moderately high or low genetic variability. The results demonstrate that habitat fragmentation can be a result not only of the loss of direct water contact, but also of the lack of flowing water. Adverse hydrological changes can reduce the genetic diversity of populations and thus the ability of this macrophyte to adapt to changing environments.
Improving Rice Quality by Regulating the Heading Dates of Rice Varieties without Yield Penalties
Authors: Liu Jianguo , Yi Qinqin , Dong Guojun , Chen Yuyu , Guo Longbiao , Gao Zhenyu , Zhu Li , Ren Deyong , Zhang Qiang , Li Qing , Li Jingyong , Liu Qiangming , Zhang Guangheng , Qian Qian , Shen Lan
Published: August 2024

The heading date, a critical trait influencing the rice yield and quality, has always been a hot topic in breeding research. Appropriately delaying the flowering time of excellent northern rice varieties is of great significance for improving yields and enhancing regional adaptability during the process for introducing varieties from north to south. In this study, genes influencing the heading date were identified through genome-wide association studies (GWAS). Using KenDao 12 (K12), an excellent cultivar from northern China, as the material, the specific flowering activator, OsMADS50, was edited using the genome-editing method to regulate the heading date to adapt to the southern planting environment. The results indicated that the osmads50 mutant line of K12 flowered about a week later, with a slight increase in the yield and good adaptability in the southern region in China. Additionally, the expressions of key flowering regulatory genes, such as Hd1, Ghd7, Ehd1, Hd3a, and RFT1, were reduced in the mutant plants, corroborating the delayed flowering phenotype. Yield trait analysis revealed that the primary factor for improved yield was an increase in the number of effective tillers, although there is potential for further enhancements in the seed-setting rate and grain plumpness. Furthermore, there were significant increases in the length-to-width ratio of the rice grains, fat content, and seed transparency, all contributing to an overall improvement in the rice quality. In summary, this study successfully obtained a rice variety with a delayed growth period through OsMADS50 gene editing, effectively implementing the strategy for adapting northern rice varieties to southern climates. This achievement significantly supports efforts to enhance the rice yield and quality as well as to optimize production management practices.