bluuebunny/crossref_metadata_2025 huggingface dataset:
Sparse Feature-Weighted Double Laplacian Rank Constraint Non-Negative Matrix Factorization for Image Clustering
Authors: Ma Hu , Ma Ziping , Li Huirong , Wang Jingyu
Published: November 2024

As an extension of non-negative matrix factorization (NMF), graph-regularized non-negative matrix factorization (GNMF) has been widely applied in data mining and machine learning, particularly for tasks such as clustering and feature selection. Traditional GNMF methods typically rely on predefined graph structures to guide the decomposition process, using fixed data graphs and feature graphs to capture relationships between data points and features. However, these fixed graphs may limit the model’s expressiveness. Additionally, many NMF variants face challenges when dealing with complex data distributions and are vulnerable to noise and outliers. To overcome these challenges, we propose a novel method called sparse feature-weighted double Laplacian rank constraint non-negative matrix factorization (SFLRNMF), along with its extended version, SFLRNMTF. These methods adaptively construct more accurate data similarity and feature similarity graphs, while imposing rank constraints on the Laplacian matrices of these graphs. This rank constraint ensures that the resulting matrix ranks reflect the true number of clusters, thereby improving clustering performance. Moreover, we introduce a feature weighting matrix into the original data matrix to reduce the influence of irrelevant features and apply an L2,1/2 norm sparsity constraint in the basis matrix to encourage sparse representations. An orthogonal constraint is also enforced on the coefficient matrix to ensure interpretability of the dimensionality reduction results. In the extended model (SFLRNMTF), we introduce a double orthogonal constraint on the basis matrix and coefficient matrix to enhance the uniqueness and interpretability of the decomposition, thereby facilitating clearer clustering results for both rows and columns. However, enforcing double orthogonal constraints can reduce approximation accuracy, especially with low-rank matrices, as it restricts the model’s flexibility. To address this limitation, we introduce an additional factor matrix R, which acts as an adaptive component that balances the trade-off between constraint enforcement and approximation accuracy. This adjustment allows the model to achieve greater representational flexibility, improving reconstruction accuracy while preserving the interpretability and clustering clarity provided by the double orthogonality constraints. Consequently, the SFLRNMTF approach becomes more robust in capturing data patterns and achieving high-quality clustering results in complex datasets. We also propose an efficient alternating iterative update algorithm to optimize the proposed model and provide a theoretical analysis of its performance. Clustering results on four benchmark datasets demonstrate that our method outperforms competing approaches.
Disaffinity Vectors on a Riemannian Manifold and Their Applications
Authors: Deshmukh Sharief , Ishan Amira , Chen Bang-Yen
Published: November 2024

A disaffinity vector on a Riemannian manifold (M,g) is a vector field whose affinity tensor vanishes. In this paper, we observe that nontrivial disaffinity functions offer obstruction to the topology of M and show that the existence of a nontrivial disaffinity function on M does not allow M to be compact. A characterization of the Euclidean space is also obtained by using nontrivial disaffinity functions. Further, we study properties of disaffinity vectors on M and prove that every Killing vector field is a disaffinity vector. Then, we prove that if the potential field ζ of a Ricci soliton M,g,ζ,λ is a disaffinity vector, then the scalar curvature is constant. As an application, we obtain conditions under which a Ricci soliton M,g,ζ,λ is trivial. Finally, we prove that a Yamabe soliton M,g,ξ,λ with a disaffinity potential field ξ is trivial.
Embedding the Different Families of Fuzzy Sets into Banach Spaces by Using Cauchy Sequences
Authors: Wu Hsien-Chung
Published: November 2024

The family F(U) of all fuzzy sets in a normed space cannot be a vector space. This deficiency affects its application to practical problems. The topics of functional analysis and nonlinear analysis in mathematics are based on vector spaces. Since these two topics have been well developed such that their tools can be used to solve practical economics and engineering problems, lacking a vector structure for the family F(U) diminishes its applications to these kinds of practical problems when fuzzy uncertainty has been detected in a real environment. Embedding the whole family F(U) into a Banach space is still not possible. However, it is possible to embed some interesting and important subfamilies of F(U) into some suitable Banach spaces. This paper presents the concrete and detailed structures of these kinds of Banach spaces such that their mathematical structures can penetrate the core of practical economics and engineering problems in fuzzy environments. The important issue of uniqueness for these Banach spaces is also addressed via the concept of isometry.
Monochromatic Graph Decompositions Inspired by Anti-Ramsey Theory and Parity Constraints
Authors: Caro Yair , Tuza Zsolt
Published: November 2024

We open here many new tracks of research in anti-Ramsey Theory, considering edge-coloring problems inspired by rainbow coloring and further by odd colorings and conflict-free colorings. Let G be a graph and F any given family of graphs. For every integer n≥|G|, let f(n,G|F) denote the smallest integer k such that any edge coloring of Kn with at least k colors forces a copy of G in which each color class induces a member of F. Observe that in anti-Ramsey problems, each color class is a single edge, i.e., F={K2}. Among the many results introduced in this paper, we mention the following. (1) For every graph G, there exists a constant c=c(G) such that in any edge coloring of Kn with at least cn colors there is a copy of G in which every vertex v is incident with an edge whose color appears only once among all edges incident with v. (2) In sharp contrast to the above result we prove that if F is the class of all odd graphs (having vertices with odd degrees only) then f(n,Kk|F)=(1+o(1))ex(n,K⌈k/2⌉), which is quadratic for k≥5. (3) We exactly determine f(n,G|F) for small graphs when F belongs to several families representing various odd/even coloring constraints.
Existence, Nonexistence and Multiplicity of Positive Solutions for Generalized Laplacian Problems with a Parameter
Authors: Jeong Jeongmi , Kim Chan-Gyun
Published: November 2024

We investigate the homogeneous Dirichlet boundary value problem for generalized Laplacian equations with a singular, potentially non-integrable weight. By examining asymptotic behaviors of the nonlinear term near 0 and ∞, we establish the existence, nonexistence, and multiplicity of positive solutions for all positive values of the parameter λ. Our proofs rely on the fixed point theorem concerning cone expansion and compression of norm type and the Leray–Schauder’s fixed point theorem.
Discovery and Characterization of an Atypical Crustin Antimicrobial Peptide from Pollicipes pollicipes
Authors: Zhang Wei , Wei Liumi , Chen Pengyu , Ning Biao , Wang Junjian , He Peng , Shang Chenjing , Yu Dahui
Published: November 2024

Crustins are a family of antimicrobial peptides (AMPs) that play a pivotal role in the innate immune system of crustaceans. The discovery of novel AMPs from natural sources is crucial for expanding our current database of these peptides. Here, we identified and characterized a novel member of the crustin family, named PpCrus-SWD1, derived from Pollicipes pollicipes. PpCrus-SWD1 consists of 138 amino acids and contains eight cysteine residues that form a conserved ‘four-disulfide core’ structure. Our recombinant PpCrus-SWD1 (rPpCrus-SWD1) exhibited potent inhibitory activity against three Gram-positive bacteria (Staphylococcus aureus, Bacillus sp. T2, and Streptococcus agalactiae) and six Gram-negative bacteria (Aeromonas hydrophila, Escherichia coli, Vibrio anguillarum, Vibrio alginolyticus, Vibrio parahemolyticus, and Acinetobacter sp. L3), with minimum inhibitory concentrations ranging from 16 to 64 μM. Furthermore, rPpCrus-SWD1 demonstrated binding affinity towards both bacteria and pathogen-associated molecular patterns (PAMPs), and damaged bacterial barrier. Additionally, it effectively inhibited alkaline protease activity in S. aureus and V. alginolyticus strains. These findings highlight the potential utility of this newly discovered crustin as an effective alternative to antibiotics.
OHVIRA Syndrome and Ureteral Ectopy Draining in the Ipsilateral Hemiuterus, Diagnosed in the Prepubertal Age Group: Case-Report and Literature Review
Authors: Telecan Teodora , Capras Roxana Denisa , Filip Gabriela Adriana , Ionutas Emanuela Maria , Stanca Dan Vasile , Crivii Carmen-Bianca
Published: November 2024

Background: Müllerian (paramesonephric) duct anomalies (MDA) are a rare condition, occurring in 5.5% of female newborns. One of the most complex malformations is represented by Obstructed Hemivagina and Ipsilateral Renal Anomalies (OHVIRA) syndrome, also known as Herlyn –Werner–Wunderlich (HWW) syndrome. Case presentation: We present the case of a 7-year-old asymptomatic premenarchal female patient diagnosed with OHVIRA syndrome with ipsilateral renal hypoplasia and ectopic ureteral implantation at the level of the uterus. As the patient developed urinary incontinence after the incision of the vaginal septum, right-sided 3D laparoscopic total nephrectomy was performed. Literature review: OHVIRA syndrome associated with ureteral ectopy is a rare occurrence, being encountered in 0.0064% of cases. The premenarchal diagnosis represents a challenge, due to the underdeveloped status of the genital tract. However, it should be ruled out in female newborns with unilateral renal agenesia or multicystic dysplastic kidney. Most reported cases describe the obstructed hemivagina as the site of ureteral ectopy. To our knowledge, this is the first reported case of OHVIRA syndrome with ectopic ureter draining at the level of the ipsilateral hemiuterus, diagnosed before the pubertal age. Conclusions: OHVIRA syndrome is one of the rarest Müllerian duct abnormalities. The management of these patients should be conducted in multidisciplinary teams, with long-term urological and gynecological follow-ups.
A Study of Theoretical Analysis and Modelling of Microalgal Membrane Photobioreactors for Microalgal Biomass Production and Nutrient Removal
Authors: Liao Yichen , Fatehi Pedram , Liao Baoqiang
Published: November 2024

This study presents a theoretical and mathematical analysis and modelling of the emerging microalgal membrane photobioreactors (M-MPBRs) for wastewater treatment. A set of mathematical models was developed to predict the biological performances of M-MPBRs. The model takes into account the effects of hydraulic retention time (HRT), solid retention time (SRT), and the N/P ratio of influent on the biological performance of M-MPBRs, such as microalgal biomass production and nutrient (N and P) removals. The model was calibrated and validated using experimental data from the literature. This modelling study explained that prolonged SRT could promote biomass production and nutrient removal, while prolonging HRT exhibited a negative effect. Furthermore, biomass production could be improved by augmenting nutrient loading, and nutrient removal would be limited under insufficient conditions. The modelling results demonstrated that the best performance was achieved at HRT = 1 d and SRT = 40 d for typical municipal wastewater with an influent N concentration = 40 mg/L. The modelling results are in good agreement with the experimental results from the literature. The findings suggest that the proposed models can be used as a powerful mathematical tool to optimize these parameters to improve the removal of nutrients (N and P), as well as the productivity of biomass in M-MPBRs. This study provides new insights into the use of mathematical models for the optimal design and operation of the emerging M-MPBRs for sustainable wastewater treatment.
Rare Earth Carbide (Nd-C and Ce-C) Synthesis and Characterization to Inform Phase Equilibrium in Advanced Nuclear Fuels
Authors: Cavazos Steven J. , Younus Sabiha , Uresti-Mireles Jesus , Sooby Elizabeth S. , Piro Markus H. A.
Published: November 2024

As advances are being made regarding the performance of nuclear fuels, uranium carbides, and composites, such as (U,Zr)C and UO2 + UCx, have recently gained significant interest for deployment in nuclear space propulsion and high temperature gas-cooled reactors, respectively. However, the phase equilibria of several fission products in carbide systems remain unknown and may impact the overall fuel performance, specifically for particle nuclear fuels that are designed for commercial nuclear energy. Furthermore, comprehensive thermodynamic data on Rare Earth (RE) carbides, such as the Nd-C and Ce-C binary systems, remain limited. Presented in this study are the synthesis methods and characterizations of several Nd-C and Ce-C compositions. The findings from this research provide insights on the stability of RE-C binaries that form in irradiated nuclear fuels and address a critical knowledge gap in the current state of thermodynamics for two key RE-C systems.
A High-Precision Temperature Compensation Method for TMR Weak Current Sensors Based on FPGA
Authors: Wu Jie , Zhou Ke , Jin Qingren , Lu Baihua , Jin Zhenhu , Chen Jiamin
Published: November 2024

Tunnel magnetoresistance (TMR) sensors, known for their high sensitivity, efficiency, and compact size, are ideal for detecting weak currents, particularly leakage currents in smart grids. However, temperature variations can negatively impact their accuracy. This work investigates the effects of temperature variations on measurement accuracy. We analyzed the operating principles and temperature characteristics of TMR sensors and proposed a high-precision, software-based temperature compensation method using cubic spline interpolation combined with polynomial regression and zero-point self-calibration. Additionally, a field-programmable gate array (FPGA)-based temperature compensation circuit was designed and implemented. An experimental platform was established to comprehensively evaluate the sensor’s performance under various temperature conditions. Experimental results demonstrate that this method significantly enhances the sensor’s temperature stability, reduces the sensitivity temperature drift coefficient, and improves zero-point drift stability, outperforming other compensation methods. After compensation, the sensor’s measurement accuracy in complex temperature environments is substantially improved, enabling effective weak current detection in smart grids across diverse environments.
Insights on the Pooled Prevalence and Global Distribution of Leptospirosis in Goats: Systematic Review and Meta-Analysis
Authors: de Araújo Portela Roseane , Limeira Clécio Henrique , Bezerra José Artur Brilhante , Martins Camila Marinelli , da Costa Diego Figueiredo , Santos Carolina de Sousa Américo Batista , Alves Clebert José , Azevedo Sérgio Santos de
Published: November 2024

Leptospira spp. infection in small ruminants is usually asymptomatic or presents nonspecific clinical signs and has an economic impact on goat farming and public health. The aim of this study was to carry out a systematic review with meta-analysis on the global seroprevalence and distribution of leptospirosis in goats. The methodology was based on the recommendations of Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA), and the review project was registered in the International Prospective Register of Systematic Reviews (PROSPERO—ID: CRD42023405693). Overall, 79 articles were included in the study. The global prevalence of leptospirosis in goats was 18.6% (CI 95% = 15.08–22.71%), with no publication bias and high heterogeneity. The records originated from South America (n = 32), Asia (n = 26), Europe (n = 8), North America (n = 7), and Africa (n = 6), and seropositivities were 17%, 19%, 12%, 34%, and 22%, respectively. It is concluded that Leptospira spp. infection is widespread in goat herds, including regions with semi-arid and arid climates, and it is suggested that the prospects for controlling the disease should focus on avoiding environmental contamination and improving management measures and sanitary practices. This important information provides guidance for actions to protect against human contamination and to control animal leptospirosis.
Regulation of Isoleucine on Colonic Barrier Function in Rotavirus-Infected Weanling Piglets and Analysis of Gut Microbiota and Metabolomics
Authors: Jiang Changsheng , Chen Weiying , Yang Yanan , Li Xiaojin , Jin Mengmeng , Ghonaim Ahmed H. , Li Shenghe , Ren Man
Published: November 2024

Rotavirus (RV) is a significant contributor to diarrhea in both young children and animals, especially in piglets, resulting in considerable economic impacts on the global pig industry. Isoleucine (Ile), a branched-chain amino acid, is crucial for regulating nutrient metabolism and has been found to help mitigate diarrhea. This study aimed to assess the impact of isoleucine supplementation in feed on colonic barrier function, colonic microbiota, and metabolism in RV-infected weanling piglets. A total of thirty-two weaned piglets, aged 21 days, were randomly assigned to two dietary groups (each further divided into two subgroups, with eight replicates in each subgroup), receiving diets with either 0% or 1% isoleucine for a duration of 14 days. One group from each treatment was then challenged with RV, and the experimental period lasted for 19 days. The results showed that dietary Ile significantly increased the secretion of IL-4, IL-10, and sIgA in the colon of RV-infected weanling piglets (p < 0.05). In addition, Ile supplementation notably increased the expression of tight junction proteins, including Claudin-3, Occludin, and ZO-1 (p < 0.01), as well as the mucin protein MUC-1 in the colon of RV-infected weanling piglets (p < 0.05). Gut microbiota analysis revealed that dietary Ile increased the relative abundance of Prevotella and decreased the relative abundance of Rikenellaceae in the colons of RV-infected weanling piglets. Compared with the RV+CON, metabolic pathways in the RV+ILE group were significantly enriched in vitamin digestion and absorption, steroid biosynthesis, purine metabolism, pantothenate and CoA biosynthesis, cutin, suberine, and wax biosynthesis, as well as fatty acid biosynthesis, and unsaturated fatty acid biosynthesis. In conclusion, dietary Ile supplementation can improve immunity, colonic barrier function, colonic microbiota, and colonic metabolism of RV-infected weaned piglets. These findings provide valuable insights into the role of isoleucine in the prevention and control of RV.
Salmonella Phage vB_SpuM_X5: A Novel Approach to Reducing Salmonella Biofilms with Implications for Food Safety
Authors: Jin Xinxin , Sun Xiuxiu , Lu Qin , Wang Zui , Zhang Zhenggang , Ling Xiaochun , Xu Yunpeng , Liang Ruiqin , Yang Junjie , Li Li , Zhang Tengfei , Luo Qingping , Cheng Guofu
Published: November 2024

Salmonella, a prevalent foodborne pathogen, poses a significant social and economic strain on both food safety and public health. The application of phages in the control of foodborne pathogens represents an emerging research area. In this study, Salmonella pullorum phage vB_SpuM_X5 (phage X5) was isolated from chicken farm sewage samples. The results revealed that phage X5 is a novel Myoviridae phage. Phage X5 has adequate temperature tolerance (28 °C–60 °C), pH stability (4–12), and a broad host range of Salmonella bacteria (87.50% of tested strains). The addition of phage X5 (MOI of 100 and 1000) to milk inoculated with Salmonella reduced the number of Salmonella by 0.72 to 0.93 log10 CFU/mL and 0.66 to 1.06 log10 CFU/mL at 4 °C and 25 °C, respectively. The addition of phage X5 (MOI of 100 and 1000) to chicken breast inoculated with Salmonella reduced bacterial numbers by 1.13 to 2.42 log10 CFU/mL and 0.81 to 1.25 log10 CFU/mL at 4 °C and 25 °C, respectively. Phage X5 has bactericidal activity against Salmonella and can be used as a potential biological bacteriostatic agent to remove mature biofilms of Salmonella or for the prevention and control of Salmonella.
Toxicological Analysis of the Arylnaphthalene Lignan Justicidin B Using a Caenorhabditis elegans Model
Authors: Sciandrone Barbara , Kentsop Roméo Arago Dougué , Pensotti Roberta , Ottolina Gianluca , Mascheretti Iride , Mattana Monica , Regonesi Maria Elena
Published: November 2024

The screening of plant-derived compounds with anti-cancer properties is a promising strategy to meet the growing need for new, safe and effective anti-cancer drugs. Justicidin B is a plants secondary metabolite that displays anti-cancer properties in several tumor cells. Therefore, it represents a good candidate. We used the 3R-compliant organism Caenorhabditis elegans to evaluate the safety of justicidin B produced by in vitro-grown adventitious roots of Linum lewisii. We showed that a dose of 100 µg/mL justicidin B does not affect worm vitality in either short-term or chronic administration; in contrast, the 200 µg/mL dose induces a lifespan reduction, but only in short-term daily treatment. We attributed this effect to its accumulation in lipofuscin granules in the pharynx as observed through confocal analysis. HPLC analysis confirmed the higher accumulation justicidin B with a 200 µg/mL dose but also revealed the presence of metabolic derivatives that could be responsible for the toxicity. We also demonstrated that the 100 µg/mL dose does not affect worm fertility or development. Our results highlight the safety of justicidin B, supporting its employment in cancer therapy, and encourage the use of a C. elegans model as an appropriate tool to assess compounds’ toxicity before moving to more complex organisms.
An Environmentally Compatible and Less Costly (Greener) Microwave Digestion Method of Bone Samples Using Dilute Nitric Acid for Analysis by ICP-MS
Authors: Bussan Derek D. , Nielsen Forrest H. , Douvris Chris , Kelzenberg Brett , Grimestad Allison , Cao Jay J.
Published: November 2024

An environmentally compatible and less costly (greener) analytical method for the digestion of bone meal samples using microwave-assisted dilute nitric acid (HNO3) was developed and optimized. The method, employing a mixture of 1 mL concentrated HNO3 and 4 mL of deionized water, offered a comparable performance to the conventional method using 5 mL of concentrated HNO3. The accuracy of the method was validated by using certified reference material NIST 1486 (Bone Meal); percentage recoveries were within ±15% for all eight certified elements. Statistical analysis revealed no significant differences (p > 0.05) in percentage recoveries between the green and conventional methods for all elements except calcium. The greenness of the developed method was evaluated by using the analytical Eco-Scale, achieving a score of 87, categorizing it as an “excellent green analysis” method. This research highlights the potential for adopting greener practices in trace element analysis that reduce the environmental impact and safety risks associated with concentrated acids.
New Conjugates of Vancomycin with Cell-Penetrating Peptides—Synthesis, Antimicrobial Activity, Cytotoxicity, and BBB Permeability Studies
Authors: Ruczyński Jarosław , Prochera Katarzyna , Kaźmierczak Natalia , Kosznik-Kwaśnicka Katarzyna , Piechowicz Lidia , Mucha Piotr , Rekowski Piotr
Published: November 2024

Vancomycin (Van) is a glycopeptide antibiotic commonly used as a last resort for treating life-threatening infections caused by multidrug-resistant bacterial strains, such as Staphylococcus aureus and Enterococcus spp. However, its effectiveness is currently limited due to the rapidly increasing number of drug-resistant clinical strains and its inherent cytotoxicity and poor penetration into cells and specific regions of the body, such as the brain. One of the most promising strategies to enhance its efficacy appears to be the covalent attachment of cell-penetrating peptides (CPPs) to the Van structure. In this study, a series of vancomycin conjugates with CPPs—such as TP10, Tat (47–57), PTD4, and Arg9—were designed and synthesized. These conjugates were tested for antimicrobial activity against four reference strains (Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, and Pseudomonas aeruginosa) and two clinical drug-resistant strains: methicillin-resistant S. aureus and vancomycin-resistant E. faecium. In addition, cytotoxicity tests (using a human fibroblast cell line) and blood–brain barrier (BBB) permeability tests (using a parallel artificial membrane permeability assay—PAMPA-BBB assay) were conducted for selected compounds. Our research demonstrated that conjugation of Van with CPPs, particularly with Tat (47–57), Arg9, or TP10, significantly enhances its antimicrobial activity against Gram-positive bacteria such as S. aureus and Enterococcus spp., reduces its cytotoxicity, and improves its access to brain tissues. We conclude that these findings provide a strong foundation for the design of novel antimicrobial agents effective in treating infections caused by drug-resistant staphylococcal and enterococcal strains, while also being capable of crossing the BBB.
Organosulfur and Organoselenium Chemistry
Authors: Wang Ming
Published: November 2024

Organosulfur- and organoselenium-containing compounds play a crucial role in organic synthesis [...]
Evaluation of Quinazolin-2,4-Dione Derivatives as Promising Antibacterial Agents: Synthesis, In Vitro, In Silico ADMET and Molecular Docking Approaches
Authors: Abdelmonsef Aboubakr H. , El-Naggar Mohamed , Ibrahim Amal O. A. , Abdelgeliel Asmaa S. , Shehadi Ihsan A. , Mosallam Ahmed M. , Khodairy Ahmed
Published: November 2024

A series of new quinazolin-2,4-dione derivatives incorporating amide/eight-membered nitrogen-heterocycles 2a–c, in addition, acylthiourea/amide/dithiolan-4-one and/or phenylthiazolidin-4-one 3a–d and 4a–d. The starting compound 1 was prepared by reaction of 4-(2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-benzoyl chloride with ammonium thiocyanate and cyanoacetic acid hydrazide. The reaction of 1 with strong electrophiles, namely, o-aminophenol, o-amino thiophenol, and/or o-phenylene diamine, resulted in corresponding quinazolin-2,4-dione derivatives incorporating eight-membered nitrogen-heterocycles 2a–d. Compounds 3a–d and 4a–d were synthesized in good-to-excellent yield through a one-pot multi-component reaction (MCR) of 1 with carbon disulfide and/or phenyl isocyanate under mild alkaline conditions, followed by ethyl chloroacetate, ethyl iodide, methyl iodide, and/or concentrated HCl, respectively. The obtained products were physicochemically characterized by melting points, elemental analysis, and spectroscopic techniques, such as FT-IR, 1H-NMR, 13C-NMR, and MS. The antibacterial efficacy of the obtained eleven molecules was examined in vitro against two Gram-positive bacterial strains (Staphylococcus aureus and Staphylococcus haemolyticus). Furthermore, Computer-Aided Drug Design (CADD) was performed on the synthesized derivatives, standard drug (Methotrexate), and reported antibacterial drug with the target enzymes of bacterial strains (S. aureus and S. haemolyticus) to explain their binding mode of actions. Notably, our findings highlight compounds 2b and 2c as showing both the best antibacterial activity and docking scores against the targets. Finally, according to ADMET predictions, compounds 2b and 2c possessed acceptable pharmacokinetics properties and drug-likeness properties.
Extraction of Bioactive Compounds and Influence of Storage Conditions of Raw Material Chamaenerion angustifolium (L.) Holub Using Different Strategies
Authors: Armonavičius Domantas , Stankevičius Mantas , Maruška Audrius
Published: November 2024

The study evaluates different preparation methods for identifying the best strategy for extracting biologically active compounds from raw Chamaenerion angustifolium (L.) Holub plant material. The methodologies include direct aqueous methanol extraction with a combination of natural aerobic and anaerobic fermentation for 24–72 h, followed by 35 °C and 60 °C drying. Furthermore, the study also focuses on determining the different temperature storage conditions on the stability of biologically active compounds. UV-VIS spectroscopy was used to quantitatively evaluate the total content of phenolic compounds, flavonoids, and radical scavenging activity. For qualitative analysis, chromatographic separation with electrochemical detection (ED) of extracted compounds, a gradient high-performance liquid chromatography (HPLC) system was used. Study results indicate that 48 h natural aerobic fermentation followed by 35 °C drying and 75% (v/v) aqueous methanol extraction yielded the maximum amount of biologically active compounds in Chamaenerion angustifolium (L.) Holub leaves, blossom, and stem samples. Freezing samples in liquid nitrogen had the lowest impact on the total content of phenolic compounds, flavonoids, and radical scavenging activity. HPLC-ED system results identified chlorogenic acid, oenothein B, trans-p-Coumaric acid, ellagic acid, and rutin in Chamaenerion angustifolium (L.) Holub leave samples.
Unveiling the Photocatalytic Potential of BiAgOS Solid Solution for Hydrogen Evolution Reaction
Authors: Ben Abdelhadi Oumaima , El Kassaoui Majid , Moatassim Hajar , Kotbi Ahmed , Balli Mohamed , Mounkachi Omar , Jouiad Mustapha
Published: November 2024

The growing emphasis on green energy has spurred momentum in research and development within the field of photocatalytic materials, particularly for green hydrogen production. Among the most abundant oxides on Earth, oxychalcogenides stand out for their cost-effectiveness and ease of synthesis. In this context, we present an investigation of the potential use of BiAgOS as an efficient photocatalyst for hydrogen generation. Utilizing density functional theory and ab initio molecular dynamics (AIMD) simulations, we computed its physical properties and assessed its photocatalytic performance. Specifically, using Heyd–Scuseria–Ernzerhof corrections, our calculations yielded an appropriate electronic gap of ~1.47 eV necessary for driving the water-splitting reaction. Additionally, we obtained a very high optical absorption coefficient of ~5 × 105/cm–1 and an estimation of hydrogen generation yield of ~289.56 µmol∙g–1. These findings suggest that BiAgOS holds promise for enabling the development of cheap, reliable, and highly efficient photocatalysts for hydrogen production.
Preparation and Performance Study of Composite Aramid Paper for High-Frequency Working Conditions
Authors: Li Xiaonan , Qin Tong , Zhang Wenxu , Wang Hong , Chen Yanhong , Li Kangle , Wang Qing , Wang Yibo
Published: November 2024

When the power converter connects to the high-frequency transformer breaks through the bottleneck and reaches a frequency of 100 kHz or even higher, the high-frequency transformer’s inter-turn insulation faces more serious high-frequency discharge and high-temperature problems. In order to improve the service performance of oil-immersed high-frequency transformer insulation paper, composite K-BNNS particles are prepared by ultrasonic stripping, heat treatment, and thermomagnetic stirring. Then, K-BNNS particles are mixed with PMIA (polymeric m-phenylenediamine solution) slurry to produce composite aramid paper. And the effects of K-BNNS particles with different contents on the thermal conductivity, dielectric properties, partial discharge properties, and mechanical properties of aramid paper are explored. It can be found that, when the addition of composite particles (K-BNNS) is 10%, the comprehensive performance of composite aramid paper is the best. Compared with Nomex paper, the in-plane and through-plane thermal conductivity of composite insulating paper F-10 increased by 668.33% and 760.66%, respectively. Moreover, the high-frequency breakdown voltage increased by 48.73% and the tensile strength increased by 2.49%. The main reason is that the composite particles form a complete thermal conductive network in the aramid paper matrix and a large number of hydrogen bonds with the matrix, which enhances the internal interface bonding force of the material and changes the charge transport mechanism.
Lipidomic Signature of Healthy Diet Adherence and Its Association with Cardiometabolic Risk in American Adults
Authors: Berkowitz Loni , Echeverría Guadalupe , Salazar Cristian , Faúndez Cristian , Coe Christopher L. , Ryff Carol , Rigotti Attilio
Published: November 2024

Background: The aim of this study was to identify the blood lipidomic profile associated with a healthy eating pattern in a middle-aged US population sample and to determine its relationship with metabolic disorders and cardiovascular risk (CVR). Methodology: Self-reported information about diet and blood samples were obtained from 2114 adult participants in the Midlife in the United States study (MIDUS). Food intake data were used to design a Healthy Diet Index (MIDUS-HEI) and to evaluate the predictive value by examining its association with health variables. The associated lipid signature (HEI-LS) was constructed using Lasso regression, from lipidomic data (LC/MS). Associations between HEI-LS, cardiometabolic biomarkers, and estimated CVR were assessed using multiple linear regression. Results: MIDUS-HEI score was a robust indicator of dietary quality and inversely associated with body mass index (p < 0.001) and metabolic syndrome (p = 0.012). A lipidomic signature comprising 57 distinct lipid species was highly correlated with the MIDUS-HEI score (r = 0.39, p < 10⁻16). It was characterized by lower levels of saturated fatty acid and adrenic acid (n-6) and higher levels of docosahexaenoic acid (n-3). Healthier HEI-LS scores were strongly associated with better cardiometabolic indicators and lower estimated CVR (OR 0.89 CI 95% 0.87–0.91). Conclusions: The MIDUS-HEI effectively assessed dietary quality, confirming the link between poor diet quality and metabolic disorders in American population. Lipidomic profiling offered an objective assessment of dietary patterns and provided insights into the relationship between diet quality, metabolic responses, and CVR. This approach supports precision nutrition strategies for at-risk populations.
Food Functional Factors in Alzheimer’s Disease Intervention: Current Research Progress
Authors: Nie Rong-Zu , Luo Huo-Min , Liu Ya-Ping , Wang Shuang-Shuang , Hou Yan-Jie , Chen Chen , Wang Hang , Lv Hui-Lin , Tao Xing-Yue , Jing Zhao-Hui , Zhang Hao-Kun , Li Pei-Feng
Published: November 2024

Alzheimer’s disease (AD) is a complex multifactorial neurodegenerative disease. With the escalating aging of the global population, the societal burden of this disease is increasing. Although drugs are available for the treatment of AD, their efficacy is limited and there remains no effective cure. Therefore, the identification of safe and effective prevention and treatment strategies is urgently needed. Functional factors in foods encompass a variety of natural and safe bioactive substances that show potential in the prevention and treatment of AD. However, current research focused on the use of these functional factors for the prevention and treatment of AD is in its initial stages, and a complete theoretical and application system remains to be determined. An increasing number of recent studies have found that functional factors such as polyphenols, polysaccharides, unsaturated fatty acids, melatonin, and caffeine have positive effects in delaying the progression of AD and improving cognitive function. For example, polyphenols exhibit antioxidant, anti-inflammatory, and neuroprotective effects, and polysaccharides promote neuronal growth and inhibit inflammation and oxidative stress. Additionally, unsaturated fatty acids inhibit Aβ production and Tau protein phosphorylation and reduce neuroinflammation, and melatonin has been shown to protect nerve cells and improve cognitive function by regulating mitochondrial homeostasis and autophagy. Caffeine has also been shown to inhibit inflammation and reduce neuronal damage. Future research should further explore the mechanisms of action of these functional factors and develop relevant functional foods or nutritional supplements to provide new strategies and support for the prevention and treatment of AD.
Keto Analogues in Patients with Chronic Kidney Disease with or Without Kidney Transplantation
Authors: Kleinová Patrícia , Blichová Tímea , Graňák Karol , Kollár Andrej , Vnučák Matej , Dedinská Ivana
Published: November 2024

Background: Keto analogues in combination with a (very) low-protein diet significantly reduces the progression to end-stage kidney disease. The question of their benefit and safety for kidney transplant recipients remains. This study aimed to show the renoprotective effect and safety of the use of this method in patients with chronic kidney disease and a kidney transplantation. Materials: This was a retrospective monocentric study conducted by the transplant nephrology department in Martin, in which patients with chronic kidney disease, with or without kidney transplant therapy, who received a low-protein diet and supplementation with keto analogues were included (n = 59). The changes in their glomerular filtration rate, proteinemia, calcaemia, weight, and glycaemia and the side effects associated with a low-protein diet and keto analogue use were studied in the patients with chronic kidney disease with or without kidney transplantation. Results: The kidney transplant recipients had a significantly more advanced stage of chronic kidney disease (p = 0.0001) than the non-transplanted patients at the time of the prescription of the keto analogues (p = 0.0001). Furthermore, the kidney transplant recipients had a significantly longer follow-up period (p = 0.0001), with a difference of 27 months within subgroups. During the observed period, we recorded a decrease in glomerular filtration, but without statistical significance. In our group, we did not confirm a significant occurrence of adverse effects associated with a low-protein diet and keto analogues. Conclusion: Keto analogues reduce the progression of chronic kidney disease and stabilise glomerular filtration in patients with chronic kidney disease. Based on our analysis, treatment with keto analogues is effective and safe for kidney transplant recipients after kidney transplantation.
Does the Ketogenic Diet Mediate Inflammation Markers in Obese and Overweight Adults? A Systematic Review and Meta-Analysis of Randomized Clinical Trials
Authors: Rondanelli Mariangela , Gasparri Clara , Pirola Martina , Barrile Gaetan Claude , Moroni Alessia , Sajoux Ignacio , Perna Simone
Published: November 2024

Background/Objectives. The ketogenic diet has emerged as a potential treatment strategy for reducing inflammation. The purpose of this meta-analysis and systematic review is to look into how a ketogenic diet affects inflammatory biomarkers in persons who are overweight or obese. Methods. We conducted an extensive search of Web of Science, PubMed, Scopus, and Google Scholar to find pertinent studies reporting changes in inflammatory biomarkers such as C-reactive protein (CRP), the erythrocyte sedimentation rate, and cytokines after a ketogenic diet. Results. Seven randomized controlled trials involving 218 overweight or obese individuals who followed a ketogenic or control diet over 8 weeks to 2 years were included in the review, and five of those were considered for the meta-analysis. The primary outcomes were CRP and IL-6 levels. The results reported significant decreases after treatment for CRP (mean of −0.62 mg/dL (95% CI: −0.84, −0,40), and a slight, but not statistically significant, reduction in IL-6 (mean of −1.31 pg/mL (95% CI: −2.86, 0.25). Conclusions. The ketogenic diet could contribute to modulating inflammation in obese and overweight subjects.
Determining the Magic Wavelength Without Modulation of the Trap Depth
Authors: Xia Jingjing , Guo Feng , Zhou Yanhua , Lu Xiaotong , Chang Hong
Published: November 2024

In this paper, the magic wavelength of the 87Sr optical lattice clock is determined by a method that bypasses the need for lattice trap depth modulation. Instead, it relies on an additional AC Stark shift generated by a dipole beam operating near the frequency of the lattice light and oriented perpendicular to the optical lattice. The magic wavelength is inferred by measuring the AC Stark shift induced by the dipole beam as a function of its power under various frequency detunings. The effect of the dipole beam on the external states of the cold ensemble is evaluated through comparative analysis of the radial and axial sideband spectra, both with and without the dipole beam. Variations in density shift resulting from changes in external states are evaluated using comprehensive numerical calculations. By avoiding trap depth modulation, this method effectively suppresses the influence of the density shift, thereby offering a promising avenue for accurately determining the magic wavelength.
CRRT Is More Than Just Continuous Renal Replacement Therapy
Authors: Erdélyi Lóránd , Trásy Domonkos
Published: November 2024

The physiology of the kidney has long been understood, and its mechanisms are well described. The pathology of renal failure is also a deeply researched area. It seems logical, therefore, to create devices that can replace the lost normal function of the kidney. Using the physical processes that take place in the kidney, such as diffusion or convection across a membrane, various renal replacement therapies (RRT) have been created. There are those that are used intermittently and those that are used for longer periods. What they have in common is that all RRTs have the same purpose; to replace the excretory function of the kidney that has been lost. CRRT is an extracorporeal renal replacement therapy that effectively replicates the excretory function of the kidneys in cases of acute renal failure. However, it has become increasingly evident that this rapidly advancing treatment modality offers benefits beyond merely substituting kidney function, with its applications continuing to expand significantly with non-renal and other indications. The use of these devices has raised new questions, many of which are still not clearly answered. When should this start? Who should receive it? How long should it last? What indication should it be for? What modality should it be with? How does it change the pharmacokinetics of the medicines? To answer these questions, it is first worth understanding the mechanisms behind the processes and the factors that influence them. This should not only focus on the procedures used in RRT therapies, but also consider the patient’s condition and the physicochemical properties of the drugs. In this review, we aim to provide a literature summary to highlight the factors that may influence the success of RRT therapies.
Arginine Hydrochloride Reduce Rectal Mucosal Irritation of Sodium Aescinate: Molecular Docking, Physical Properties, Anti-Hemorrhoidal Activity, Safety and Topical Gel Formulations Investigation
Authors: Hu Di , Zeng Qiuyang , Wang Huanrong , Jiang Wei
Published: November 2024

Background/Objectives: Sodium aescinate (SA) is commonly used topically due to its anti-inflammatory, anti-edematous, and anti-swelling properties. However, the clinical application of SA is limited by strong irritation, and cannot be used on the damaged skin and mucous membrane. This study aimed to investigate whether arginine hydrochloride (Arg·HCl) could reduce the rectal mucosal irritation of SA through the formation of a gel. Methods: Molecular docking was first used to explore potential interactions between SA and Arg·HCl. Gels for rectal administration were then formulated by combining SA with various ratios of Arg·HCl (from 1:0 to 1:10). In vitro tests, including pH, centrifuge stability, viscosity, and spreadability analysis, were conducted. The optimal gel formulation was determined based on rectal mucosal irritation tests and anti-inflammatory experiments. Additionally, the anti-hemorrhoidal characteristics and safety of the optimal gel in terms of acute toxicity and dermal sensitivity were evaluated. Results: The optimal SA to Arg·HCl ratio of 1:6 (F5-SA gel) was identified, significantly reducing rectal mucosal irritation while enhancing anti-inflammatory activity. The F5-SA gel demonstrated high efficacy against hemorrhoids, notably promoting anal ulcer healing. When administered rectally to rabbits at a dose of 132 mg·kg−1·d−1 (198 times the recommended therapeutic dose), no other obvious side effects were observed except a significant reduction in food intake on the day of administration. In addition, the gel did not induce dermal sensitivity. Conclusions: The F5-SA gel is a promising formulation that can reduce irritation and toxic side effects, and enhance the therapeutic effect to some extent, ultimately achieving a safer and more effective rectal delivery system for SA.
Strategies to Stabilize Dalbavancin in Aqueous Solutions; Section-2: The Effects of 2 Hydroxypropyl-β-Cyclodextrin and Acetate Buffer with and Without Divalent Metal Ions
Authors: Jakaria Sardar M. , Budil David E. , Murtagh James , Revilla Graham
Published: November 2024

Objectives: The effect of 2-hydroxpropyl-β-cyclodextrin (2HPβCD) with or without divalent metal ions (Ca2+, Mg2+, and Zn2+) on the stability of dalbavancin in acetate buffer was investigated. Methods: Dalbavancin recovery from formulations with 2HPβCD and divalent metal ions after four weeks of storage at 5 °C and 55 °C was measured by RP-HPLC and HP-SEC; a longer-term study was carried out over six months at 5 °C, 25 °C, and 40 °C. Binding of 2HPβCD was characterized by isothermal titration calorimetry (ITC) and nuclear magnetic resonance (NMR). Results: The stability of the dalbavancin formulations after 4 weeks at 55 °C in 10 mM acetate buffer was significantly improved with 0.6 mM, 5.5 mM, and 55 mM 2HPβCD relative to without 2HPβCD. No further improvement was observed with the addition of any of the divalent cations. Dalbavancin in a 1:10 molar ratio with 2HPβCD was more stable at a concentration of 1 mg/mL than at 20 mg/mL under accelerated conditions at 40 °C for six months. ITC revealed two 2HPβCD binding sites to dalbavancin in 10 mM acetate: one with a 1:1 stoichiometry and thermodynamics consistent with known cyclodextrin–drug interactions, and a second with 0.1:1 stoichiometry, a positive binding enthalpy, and an unusually large entropy of binding. NMR spectroscopy indicates that dalbavancin exhibits aggregation in acetate buffer that is disrupted by 2HPβCD binding. Conclusions: 2HPβCD significantly improves the short- and long-term heat stability of dalbavancin in pH 4.5 acetate buffer at and above molar ratios of 1:1. The strong 1:1 binding of 2HPβCD to dalbavancin demonstrated by ITC confirms that this stability is conferred by the formation of a stable complex. This observation, combined with the NMR results, points to the aliphatic hydrocarbon chain of the glycone moiety as the most likely site of 2HPβCD–dalbavancin interaction.