bluuebunny/crossref_metadata_2025 huggingface dataset:
Brain Temperature as an Indicator of Cognitive Function in Traumatic Brain Injury Patients
Authors: Kitagawa Maho , Abiko Kagari , Sheriff Sulaiman , Maudsley Andrew A. , Li Xinnan , Sawamura Daisuke , Ahn Sinyeob , Tha Khin Khin
Published: December 2023

Whether brain temperature noninvasively extracted by magnetic resonance imaging has a role in identifying brain changes in the later phases of mild to moderate traumatic brain injury (TBI) is not known. This prospective study aimed to evaluate if TBI patients in subacute and chronic phases had altered brain temperature measured by whole-brain magnetic resonance spectroscopic imaging (WB-MRSI) and if the measurable brain temperature had any relationship with cognitive function scores. WB-MRSI was performed on eight TBI patients and fifteen age- and sex-matched control subjects. Brain temperature (T) was extracted from the brain’s major metabolites and compared between the two groups. The T of the patients was tested for correlation with cognitive function test scores. The results showed significantly lower brain temperature in the TBI patients (p < 0.05). Brain temperature derived from N-acetylaspartate (TNAA) strongly correlated with the 2 s paced auditory serial addition test (PASAT-2s) score (p < 0.05). The observation of lower brain temperature in TBI patients may be due to decreased metabolic activity resulting from glucose and oxygen depletion. The correlation of brain temperature with PASAT-2s may imply that noninvasive brain temperature may become a noninvasive index reflecting cognitive performance.
Comparative Analysis of Healthy Gut Microbiota in German and Korean Populations: Insights from Large-Scale Cohort Studies
Authors: Son Min Kee , Song Yuri , Chung Jin , Na Hee Sam
Published: December 2023

Healthy individuals often have different gut microbiota, and these differences can be influenced by their country of origin or their race. This study aimed to compare the gut microbiota compositions of healthy Germans and Koreans using 16S rRNA sequencing data extracted from public sources. Two cohorts, comprising 1592 samples (804 Germans and 788 Koreans), were analyzed for alpha and beta diversity, core microbiome, and abundances of specific taxa. The Prevotella enterotype was more prevalent in Koreans, and significant diversity differences were observed depending on cohorts and enterotypes. The core microbiomes across all enterotypes and cohorts included Bacteroides, Faecalibacterium, Parabacteroides, and Lachnospira. Several common core microbiomes were also found depending on enterotype. Koreans exhibited higher abundances of Faecalibacterium, Prevotella, and Bacteroides, while Germans had higher abundances of Blautia, Subdoligranulum, and Agathobacter. Distinctive microbiomes were identified by enterotype. The study enhances comprehension of gut microbiome variations linked to enterotype and geographical factors, and emphasizes the need for additional research to establish correlations between specific microbial properties and individual health status.
Automated Protocol for Monitoring Droplets and Fomites on Surfaces
Authors: Valeriani Federica , Margarucci Lory Marika , Ubaldi Francesca , Gianfranceschi Gianluca , Romano Spica Vincenzo
Published: December 2023

During the COVID-19 pandemic, extensive efforts focused on developing a better understanding of indirect transmission routes, environmental monitoring of fomites, and suitable surveillance strategies, providing new perspectives to also face other communicable diseases. Rapid methods for monitoring environmental contamination are strongly needed to support risk assessment, epidemiological surveillance and prevent infections from spreading. We optimized and automatized a protocol based on fomite detection by qPCR, using a microbial-signature approach based on marker genes belonging to the microbiota of droplets or different biological fluids. The procedure was implemented by exploiting the available tools developed for SARS-CoV-2 tracing, such as flocked swab sampling, real-time PCR equipment and automatic extraction of nucleic acids. This approach allowed scaling up, simplifying, and speeding up the extraction step of environmental swabs, processing at least 48 samples within 45 min vs. 90 min for about 24 samples by manual protocols. A comparison of microflora data by Next-Generation Sequencing (NGS) strongly supports the effectiveness of this semiautomated extraction procedure, providing good quality DNA with comparable representation of species as shown by biodiversity indexes. Today, equipment for qPCR is widely available and relatively inexpensive; therefore this approach may represent a promising tool for hospital hygiene in surveilling fomites associated with SARS-CoV-2 or other pathogen’s transmission.
Biofilm Formation in Campylobacter concisus: The Role of the luxS Gene
Authors: Huq Mohsina , Wahid Syeda Umme Habiba , Istivan Taghrid
Published: December 2023

Campylobacter concisus is a bacterium that inhabits human oral cavities and is an emerging intestinal tract pathogen known to be a biofilm producer and one of the bacterial species found in dental plaque. In this study, biofilms of oral and intestinal C. concisus isolates were phenotypically characterized. The role of the luxS gene, which is linked to the regulation of biofilm formation in other pathogens, was assessed in relation to the pathogenic potential of this bacterium. Biofilm formation capacity was assessed using phenotypic assays. Oral strains were shown to be the highest producers. A luxS mutant was created by inserting a kanamycin cassette within the luxS gene of the highest biofilm-forming isolate. The loss of the polar flagellum was observed with scanning and transmission electron microscopy (SEM and TEM). Furthermore, the luxS mutant exhibited a significant reduction (p < 0.05) in biofilm formation, motility, and its expression of flaB, in addition to the capability to invade intestinal epithelial cells, compared to the parental strain. The study concluded that C. concisus oral isolates are significantly higher biofilm producers than the intestinal isolates and that LuxS plays a role in biofilm formation, invasion, and motility in this bacterium.
Comparative Rumen Metagenome and CAZyme Profiles in Cattle and Buffaloes: Implications for Methane Yield and Rumen Fermentation on a Common Diet
Authors: Malik Pradeep K. , Trivedi Shraddha , Kolte Atul P. , Mohapatra Archit , Biswas Siddharth , Bhattar Ashwin V. K. , Bhatta Raghavendra , Rahman Habibar
Published: December 2023

A study was undertaken to compare the rumen microbial community composition, methane yield, rumen fermentation, and CAZyme profiles between cattle and buffaloes. The primary aim of this study was to ascertain the impact of the host species on the above when diet and environmental factors are fixed. A total of 43 phyla, 200 orders, 458 families, and 1722 microbial genera were identified in the study. Bacteroidetes was the most prominent bacterial phylum and constituted >1/3rd of the ruminal microbiota; however, their abundances were comparable between cattle and buffaloes. Firmicutes were the second most abundant bacteria, found to be negatively correlated with the Bacteroidetes. The abundances of Firmicutes as well as the F/B ratio were not different between the two host species. In this study, archaea affiliated with the nine phyla were identified, with Euryarchaeota being the most prominent. Like bacterial phyla, the abundances of Euryarchaeota methanogens were also similar between the cattle and buffaloes. At the order level, Methanobacteriales dominated the archaea. Methanogens from the Methanosarcinales, Methanococcales, Methanomicrobiales, and Methanomassiliicoccales groups were also identified, but at a lower frequency. Methanobrevibacter was the most prevalent genus of methanogens, accounting for approximately three percent of the rumen metagenome. However, their distribution was not different between the two host species. CAZymes affiliated with five classes, namely CBM, CE, GH, GT, and PL, were identified in the metagenome, where the GH class was the most abundant and constituted ~70% of the total CAZymes. The protozoal numbers, including Entodiniomorphs and Holotrichs, were also comparable between the cattle and buffaloes. Results from the study did not reveal any significant difference in feed intake, nutrient digestibility, and rumen fermentation between cattle and buffaloes fed on the same diet. As methane yield due to the similar diet composition, feed ingredients, rumen fermentation, and microbiota composition did not vary, these results indicate that the microbiota community structure and methane emissions are under the direct influence of the diet and environment, and the host species may play only a minor role until the productivity does not vary. More studies are warranted to investigate the effect of different diets and environments on microbiota composition and methane yield. Further, the impact of variable productivity on both the cattle and buffaloes when the diet and environmental factors are fixed needs to be ascertained.
High-Throughput Short Sequence Typing Schemes for Pseudomonas aeruginosa and Stenotrophomonas maltophilia Pure Culture and Environmental DNA
Authors: Bourdin Thibault , Benoit Marie-Ève , Bédard Emilie , Prévost Michèle , Quach Caroline , Déziel Eric , Constant Philippe
Published: December 2023

Molecular typing techniques are utilized to determine genetic similarities between bacterial isolates. However, the use of environmental DNA profiling to assess epidemiologic links between patients and their environment has not been fully explored. This work reports the development and validation of two high-throughput short sequence typing (HiSST) schemes targeting the opportunistic pathogens Pseudomonas aeruginosa and Stenotrophomonas maltophilia, along with a modified SM2I selective medium for the specific isolation of S. maltophilia. These HiSST schemes are based on four discriminative loci for each species and demonstrate high discriminating power, comparable to pairwise whole-genome comparisons. Each scheme includes species-specific PCR primers for precise differentiation from closely related taxa, without the need for upstream culture-dependent methods. For example, the primers targeting the bvgS locus make it possible to distinguish P. aeruginosa from the very closely related Pseudomonas paraeruginosa sp. nov. The selected loci included in the schemes are adapted to massive parallel amplicon sequencing technology. An R-based script implemented in the DADA2 pipeline was assembled to facilitate HiSST analyses for efficient and accurate genotyping of P. aeruginosa and S. maltophilia. We demonstrate the performance of both schemes through in silico validations, assessments against reference culture collections, and a case study involving environmental samples.
RETRACTED: Drug Resistance and Molecular Characteristics of Carbapenem-Resistant OXA-48-Producing Klebsiella pneumoniae Strains in Hainan, China
Authors: Ye Min , Liu Lei , Liu Bin , Zhou Xiangdong , Li Qi
Published: December 2023

Background: The emergence and global spread of carbapenem-resistant hypervirulent Klebsiella pneumoniae (CR-hvKP) are of great concern to health services worldwide. These β-lactamases hydrolyze almost all β-lactams, are plasmid-encoded, and are easily transferable among bacterial species. They are mostly of the KPC types in CR-hvKp. OXA-48-producing hvKP strains have been rarely reported in the literature. Methods: OXA-48-producing hvKP strains were collected from clinical specimens at the First Affiliated Hospital of Hainan Medical University from January 2022 to March 2023. Hypervirulent strains were tested for virulence in a mouse lethality study and underwent whole genome sequencing to identify genomic features. Results: A total of 42 unique OXA-48-bearing K. pneumoniae strains were identified, including three CR-hvKP strains (KP2683-1, NCRE61, and KP2185), which were isolated from bacteremia, pulmonary abscess, and liver abscess separately. The three CR-hvKP strains belonged to two different clones of ST11 KL64 (KP2185 and NCRE61) and ST23 K1 (KP2683-1). The KP2683-1 strain had the highest virulence. Whole genome sequencing analysis indicated that NCRE61 and KP2185 acquired IncFIB-type plasmids with a set of virulence genes (iroBCDN, iucABCD, iutA, rmpA, and rmpA2), while KP2683-1 acquired an IncL-type blaOXA-48-harboring plasmid. Consecutive cultures showed that the blaOXA-48-harboring plasmids were highly stable in the three hvKP strains and could be transmitted to Escherichia coli J53 by conjugation. The drug susceptibility testing results show that Ceftazidime/avibactam is sensitive for OXA-48-producing hvKP. Conclusions: Our study highlighted the two evolutionary pathways of OXA-48-producing hvKP strains and confirmed their virulence through in vivo testing. Ceftazidime/avibactam may be a viable option for treating OXA-48-producing hvKP strains.
DIAG Approach: Introducing the Cognitive Process Mining by an Ontology-Driven Approach to Diagnose and Explain Concept Drifts
Authors: Namaki Araghi Sina , Fontanili Franck , Sarkar Arkopaul , Lamine Elyes , Karray Mohamed-Hedi , Benaben Frederick
Published: December 2023

The remarkable growth of process mining applications in care pathway monitoring is undeniable. One of the sub-emerging case studies is the use of patients’ location data in process mining analyses. While the streamlining of published works is focused on introducing process discovery algorithms, there is a necessity to address challenges beyond that. Literature analysis indicates that explainability, reasoning, and characterizing the root causes of process drifts in healthcare processes constitute an important but overlooked challenge. In addition, incorporating domain-specific knowledge into process discovery could be a significant contribution to process mining literature. Therefore, we mitigate the issue by introducing cognitive process mining through the DIAG approach, which consists of a meta-model and an algorithm. This approach enables reasoning and diagnosing in process mining through an ontology-driven framework. With DIAG, we modeled the healthcare semantics in a process mining application and diagnosed the causes of drifts in patients’ pathways. We performed an experiment in a hospital living lab to examine the effectiveness of our approach.
Investigation of Volatile Components and Assessment of Antioxidant Potential in Seven Lamiaceae Plant Hydrosols
Authors: Xin Ziwei , Wang Wenjia , Yang Weizong , Li Yajie , Niu Lixin , Zhang Yanlong
Published: December 2023

Aromatic plants of the family Lamiaceae, especially of the genus Thymus, have promising antioxidant applications in pharmacology, medicine, food, cosmetology, and aromatherapy. Hydrosols (HDs) were extracted by hydrodistillation from seven species of Lamiaceae, including Thymus vulgaris, Thymus mongolicus, Mentha × piperita, Melissa officinalis, Rosmarinus officinali, Salvia elegans, and Leonurus artemisia. In total, 369 volatile components were determined and analyzed by gas chromatography–mass spectrometry (GC-MS). Among them, alcohols (2.86–28.48%), ethers (2.46–10.69%), and phenols (0.11–21.78%) constituted a large proportion, mainly linalool (0.28–19.27%), eucalyptol (0.16–6.97%), thymol (0–19.54%), and carvacrol (0–26.82%). Multivariate statistical analyses were performed and 27 differential metabolites were screened. Three different methods (ABTS+•, DPPH•, and FRAP) were used to determine the in vitro antioxidant activity of seven HDs. Thymus vulgaris hydrosols (Tv HDs) and Thymus mongolicus hydrosols (Tm HDs) had the strongest antioxidant activity and their stronger antioxidant capacity was related to their high levels of phenolic constituents, mainly thymol. The antioxidant activity of the other five Lamiaceae HDs was associated with their high alcohol (mainly linalool and eucalyptol) content, and the alcohol constituents may synergistically affect their antioxidant capacity. Therefore, the present study suggests that Lamiaceae plants can be utilized as antioxidant products or antioxidants in different industrial sectors including pharmaceuticals, food, cosmetics, and agrochemicals.
Fe2O3 Embedded in N-Doped Porous Carbon Derived from Hemin Loaded on Active Carbon for Supercapacitors
Authors: Yang Zitao , Luo Cunhao , Wang Ning , Liu Junshao , Zhang Menglong , Xu Jing , Zhao Yongnan
Published: December 2023

The high power density and long cyclic stability of N-doped carbon make it an attractive material for supercapacitor electrodes. Nevertheless, its low energy density limits its practical application. To solve the above issues, Fe2O3 embedded in N-doped porous carbon (Fe2O3/N-PC) was designed by pyrolyzing Hemin/activated carbon (Hemin/AC) composites. A porous structure allows rapid diffusion of electrons and ions during charge–discharge due to its large surface area and conductive channels. The redox reactions of Fe2O3 particles and N heteroatoms contribute to pseudocapacitance, which greatly enhances the supercapacitive performance. Fe2O3/N-PC showed a superior capacitance of 290.3 F g−1 at 1 A g−1 with 93.1% capacity retention after 10,000 charge–discharge cycles. Eventually, a high energy density of 37.6 Wh kg−1 at a power density of 1.6 kW kg−1 could be delivered with a solid symmetric device.
[18F]fluoride Activation and 18F-Labelling in Hydrous Conditions—Towards a Microfluidic Synthesis of PET Radiopharmaceuticals
Authors: Ovdiichuk Olga , Lahdenpohja Salla , Béen Quentin , Tanguy Laurent , Kuhnast Bertrand , Collet-Defossez Charlotte
Published: December 2023

18F-labelled radiopharmaceuticals are indispensable in positron emission tomography. The critical step in the preparation of 18F-labelled tracers is the anhydrous F-18 nucleophilic substitution reaction, which involves [18F]F− anions generated in aqueous media by the cyclotron. For this, azeotropic drying by distillation is widely used in standard synthesisers, but microfluidic systems are often not compatible with such a process. To avoid this step, several methods compatible with aqueous media have been developed. We summarised the existing approaches and two of them have been studied in detail. [18F]fluoride elution efficiencies have been investigated under different conditions showing high 18F-recovery. Finally, a large scope of precursors has been assessed for radiochemical conversion, and these hydrous labelling techniques have shown their potential for tracer production using a microfluidic approach, more particularly compatible with iMiDEV™ cassette volumes.
The Impact of Surface Chemistry and Synthesis Conditions on the Adsorption of Antibiotics onto MXene Membranes
Authors: Afolabi Moyosore A. , Xiao Dequan , Chen Yongsheng
Published: December 2023

MXene, a two-dimensional (2D) nanomaterial with diverse applications, has gained significant attention due to its 2D lamellar structure, abundance of surface groups, and conductivity. Despite various established synthesis methods since its discovery in 2011, MXenes produced through different approaches exhibit variations in structural and physicochemical characteristics, impacting their suitability for environmental application. This study delves into the effect of synthesis conditions on MXene properties and its adsorption capabilities for four commonly prescribed antibiotics. We utilized material characterization techniques to differentiate MXenes synthesized using three prevalent etchants: hydrofluoric acid (HF), mixed acids (HCl/HF), and fluoride salts (LiF/HCl). Our investigation of adsorption performance included isotherm and kinetic analysis, complemented by density functional theory calculations. The results of this research pinpointed LiF/HCl as an efficient etchant, yielding MXene with favorable morphology and surface chemistry. Electrostatic interactions and hydrogen bonding between MXene surface terminations and ionizable moieties of the antibiotic molecules emerge as pivotal factors in adsorption. Specifically, a higher presence of oxygen terminations increases the binding affinities. These findings provide valuable guidance for etchant selection in environmental applications and underscore the potential to tailor MXenes through synthesis conditions to design membranes capable of selectively removing antibiotics and other targeted substances.
Sea Urchin-like NiCo2O4 Catalyst Activated Peroxymonosulfate for Degradation of Phenol: Performance and Mechanism
Authors: Chen Chunguang , Zhang Junkai , Liu Jia , Li Jiani , Ma Shuo , Yu Aishui
Published: December 2023

How to efficiently activate peroxymonosulfate (PMS) in a complex water matrix to degrade organic pollutants still needs greater efforts, and cobalt-based bimetallic nanomaterials are desirable catalysts. In this paper, sea urchin-like NiCo2O4 nanomaterials were successfully prepared and comprehensively characterized for their structural, morphological and chemical properties via techniques, such as X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), among others. The sea urchin-like NiCo2O4 nanomaterials exhibited remarkable catalytic performance in activating PMS to degrade phenol. Within the NiCo2O4/PMS system, the removal rate of phenol (50 mg L−1, 250 mL) reached 100% after 45 min, with a reaction rate constant k of 0.091 min−1, which was 1.4-times higher than that of the monometallic compound Co3O4/PMS system. The outstanding catalytic activity of sea urchin-like NiCo2O4 primarily arises from the synergistic effect between Ni and Co ions. Additionally, a comprehensive analysis of key parameters influencing the catalytic activity of the sea urchin-like NiCo2O4/PMS system, including reaction temperature, initial pH of solution, initial concentration, catalyst and PMS dosages and coexisting anions (HCO3−, Cl−, NO3− and humic acid), was conducted. Cycling experiments show that the material has good chemical stability. Electron paramagnetic resonance (EPR) and quenching experiments verified that both radical activation (SO4•−, •OH, O2•−) and nonradical activation (1O2) are present in the NiCo2O4/PMS system. Finally, the possible degradation pathways in the NiCo2O4/PMS system were proposed based on gas chromatography–mass spectrometry (GC-MS). Favorably, sea urchin-like NiCo2O4-activated PMS is a promising technology for environmental treatment and the remediation of phenol-induced water pollution problems.
Non-Invasive Detection of Biomolecular Abundance from Fermentative Microorganisms via Raman Spectra Combined with Target Extraction and Multimodel Fitting
Authors: Li Xinli , Li Suyi , Wu Qingyi
Published: December 2023

Biomolecular abundance detection of fermentation microorganisms is significant for the accurate regulation of fermentation, which is conducive to reducing fermentation costs and improving the yield of target products. However, the development of an accurate analytical method for the detection of biomolecular abundance still faces important challenges. Herein, we present a non-invasive biomolecular abundance detection method based on Raman spectra combined with target extraction and multimodel fitting. The high gain of the eXtreme Gradient Boosting (XGBoost) algorithm was used to extract the characteristic Raman peaks of metabolically active proteins and nucleic acids within E. coli and yeast. The test accuracy for different culture times and cell cycles of E. coli was 94.4% and 98.2%, respectively. Simultaneously, the Gaussian multi-peak fitting algorithm was exploited to calculate peak intensity from mixed peaks, which can improve the accuracy of biomolecular abundance calculations. The accuracy of Gaussian multi-peak fitting was above 0.9, and the results of the analysis of variance (ANOVA) measurements for the lag phase, log phase, and stationary phase of E. coli growth demonstrated highly significant levels, indicating that the intracellular biomolecular abundance detection was consistent with the classical cell growth law. These results suggest the great potential of the combination of microbial intracellular abundance, Raman spectra analysis, target extraction, and multimodel fitting as a method for microbial fermentation engineering.
Use of Double Gelled Microspheres to Improve Release Control of Cinnamon-Loaded Nanoemulsions
Authors: Santamaría Esther , Maestro Alicia , González Carmen
Published: December 2023

The use of nanoemulsions as encapsulation systems for active ingredients, such as cinnamon oil, has been studied. A surfactant based on polyoxyethylene glycerol esters from coconut/palm kernel oil has been used. The nanoemulsions were obtained by the two most commonly low-energy emulsification methods, the composition inversion phase (PIC) and the temperature inversion phase (PIT) methods. Nanoemulsions were successfully obtained by both methods, with very small droplet sizes (5–14 nm) in both cases, but a greater stability was observed when the PIT method was used. Nanoemulsions were encapsulated by external gelation using two different polysaccharides, alginate or chitosan, dissolved in the continuous phase of the nanoemulsion. Then, the nanoemulsion was dropped into a bath with a gelling agent. To improve the release control of cinnamon oil and avoid the burst effect, beads prepared with one of the polysaccharides were coated with the second polysaccharide and then gelled again. Double gelled beads were successfully obtained, the core with chitosan and the outer layer (shell) with alginate. SEM images showed the morphology of the single beads presenting high porosity. When the beads were coated, the porosity decreased because the second polysaccharide molecules covered the pre-existing pores. The smoother surface was obtained when this second layer was, in turn, gelled. The release patterns at pH = 2 and pH = 7 were studied. It was observed that the double gelled bead provided a more gradual release, but maintained approximately the same amount of final released oil. The release patterns were fitted to the Korsmeyer-Peppas model. The fitting parameters reflected the effect of the different coating layers, correlating with different diffusion mechanisms according to the bead core and shell materials.
In Silico and In Vivo Pharmacokinetic Evaluation of 84-B10, a Novel Drug Candidate against Acute Kidney Injury and Chronic Kidney Disease
Authors: Su Man , Liu Xianru , Zhao Yuru , Zhu Yatong , Wu Mengqiu , Liu Kun , Yang Gangqiang , Liu Wanhui , Wang Lin
Published: December 2023

Acute kidney injury (AKI) and chronic kidney disease (CKD) have become public health problems due to high morbidity and mortality. Currently, drugs recommended for patients with AKI or CKD are extremely limited, and candidates based on a new mechanism need to be explored. 84-B10 is a novel 3-phenylglutaric acid derivative that can activate the mitochondrial protease, Lon protease 1 (LONP1), and may protect against cisplatin-induced AKI and unilateral ureteral obstruction- or 5/6 nephrectomy [5/6Nx]-induced CKD model. Preclinical studies have shown that 84-B10 has a good therapeutic effect, low toxicity, and is a good prospect for further development. In the present study, the UHPLC-MS/MS method was first validated then applied to the pharmacokinetic study and tissue distribution of 84-B10 in rats. Physicochemical properties of 84-B10 were then acquired in silico. Based on these physicochemical and integral physiological parameters, a physiological based pharmacokinetic (PBPK) model was developed using the PK-Sim platform. The fitting accuracy was estimated with the obtained experimental data. Subsequently, the validated model was employed to predict the pharmacokinetic profiles in healthy and chronic kidney injury patients to evaluate potential clinical outcomes. Cmax in CKD patients was about 3250 ng/mL after a single dose of 84-B10 (0.41 mg/kg), and Cmax,ss was 1360 ng/mL after multiple doses. This study may serve in clinical dosage setting in the future.
Development of Self-Assembling bis-1,4-Dihydropyridines: Detailed Studies of Bromination of Four Methyl Groups and Bromine Nucleophilic Substitution
Authors: Kaukulis Martins , Rucins Martins , Lacis Davis , Plotniece Aiva , Sobolev Arkadij
Published: December 2023

One of the most important steps in the synthesis of 1,4-dihydropyridine (1,4-DHP) amphiphiles is the bromination of methyl groups in positions 2 and 6 of the entire ring. However, up to now, only N-bromosuccinimide was mainly used for bromination 1,4-DHPs. In this work, the synthesis of bis-1,4-DHP derivatives with ethyl and dodecyl ester groups attached to 1,4-DHP ring at positions 3 and 5 was performed by Hantzsch synthesis. The experimental studies were carried out to find out the best conditions and the agent for the tetra bromination of bis-1,4-DHP methyl groups at positions 2 and 6. Four different brominating agents were screened. The use of pyridinium bromide–perbromide in ethyl acetate was found to be optimal for the bromination of methyl groups. The bromination reaction was followed by the synthesis of cationic pyridine moiety containing amphiphilic bis-1,4-DHP derivatives. By nucleophilic substitution of bromine with various substituted pyridines, 12 new amphiphilic bis-1,4-DHP derivatives were obtained. Evaluation of self-assembling properties of tetracationic bis-1,4-dihydropyridine derivatives by dynamic light scattering (DLS) measurements was also performed.
Safe Application of 75% Trifloxystrobin–Tebuconazole as Water-Dispersible Granules in Paddy Based on Residue and Dietary Risk Assessment
Authors: Wang Siwei , Liu Yanping , Zhu Manshan
Published: December 2023

The present study describes the development of a highly effective approach for determining the residue distribution and dissipation of trifloxystrobin and tebuconazole, and their risk assessment in brown rice, husk, straw, and grain using high-performance liquid chromatography–tandem mass spectrometry (HPLC-MS/MS). The current study provides considerable novel information regarding the safe utilization of a mixture of trifloxystrobin and tebuconazole in paddy production. The samples demonstrated a range of mean recoveries between 72% and 86%, with a 1.1–9.2% relative standard deviation (RSD). The limits of quantification (LOQ) and half-lives (t1/2) for brown rice, husk, straw, and grain were, respectively, established to be 0.001–0.01 mg/kg and 4.1–7.7 days. The concentrations of terminal residues in the brown rice, husk, straw, and grain were, respectively, found to be 0.02–0.05, 0.03–0.11, 0.02–0.07, and 0.02–0.05 mg/kg after being treated twice at 168.75 g a.i./ha with 21 and 28 days of pre-harvest intervals (PHIs). Trifloxystrobin and tebuconazole presented a non-negligible chronic risk to human subjects, as evidenced by a risk quotient (RQ) value of less than 1.
Comparison of Antibacterial Activities of Korean Pine (Pinus densiflora) Needle Steam Distillation Extract on Escherichia coli and Staphylococcus aureus Focusing on Membrane Fluidity and Genes Involved in Membrane Lipids and Stress
Authors: Zhang Ya , Chung Woo-Kyung , Moon Su-Hyun , Lee Jeoung-Gyu , Om Ae-Son
Published: December 2023

The antibacterial activity and mechanism of Pinus densiflora extracts against Escherichia coli and Staphylococcus aureus were investigated. The growth inhibition tests of paper diffusion and optical density exhibited that the extracts have potent antibacterial potentials against foodborne pathogens. The measurement of membrane fluidity by fluorescence polarization has indicated that one of the antibacterial mechanisms involves the disruption of membrane integrity resulting in an increase in the membrane fluidity in both of E. coli and S. aureus. The alteration of fatty acid composition was accompanied by the disturbance of membranes thus shifting the proportion of saturated verses unsaturated fatty acids or trans fatty acids from 1.27:1 to 1.35:1 in E. coli and 1.47:1 to 2.31:1 in S. aureus, most likely to compensate for the increased membrane fluidity by means of a higher proportion of saturated fatty acids which is known to render rigidity in membranes. Realtime q-PCR (polymerase chain reaction) analysis of fatty acid synthetic genes and bacterial stress genes revealed that there was minimal influence of P. densiflora extracts on fatty acid genes except for fab I and the stress rpos in E. coli, and relatively greater impact on fatty acid genes and the stress sigB in S. aureus.
Exploring Antioxidant and α-Glucosidase Inhibitory Activities in Mulberry Leaves (Morus alba L.) across Growth Stages: A Comprehensive Metabolomic Analysis with Chemometrics
Authors: Li Wenjie , Hao Shenghui , Li Hengyang , An Qi , Yang Lina , Guo Bing , Xue Zijing , Liu Yongli , Guo Long , Zheng Yuguang , Zhang Dan
Published: December 2023

Metabolic product accumulation exhibited variations among mulberry (Morus alba L.) leaves (MLs) at distinct growth stages, and this assessment was conducted using a combination of analytical techniques including high-performance liquid chromatography (HPLC), gas chromatography–mass spectrometry (GC-MS), and liquid chromatography–mass spectrometry (LC-MS). Multivariate analysis was applied to the data, and the findings were correlated with antioxidant activity and α-glucosidase inhibitory effects in vitro. Statistical analyses divided the 27 batches of MLs at different growth stages into three distinct groups. In vitro assays for antioxidant activity and α-glucosidase inhibition revealed that IC50 values were highest at the Y23 stage, which corresponds to the ‘Frost Descends’ solar term. In summary, the results of this study indicate that MLs at different growth stages throughout the year can be categorized into three primary growth stages using traditional Chinese solar terms as reference points, based on the observed variations in metabolite content.
Nesting Ecology of Lepidochelys olivacea in Lobito, Angola
Authors: Ferreira Inês M. , Murillo Luz , Le-Corre Jean-Marie , Correia Marco , Anastácio Rita , Pereira Mário J.
Published: December 2023

The scarcity on the Atlantic coast of the African sea turtle population and its dynamics data is well known. This article discusses the nesting ecology methods and analysis of a nascent Angolan project aimed at preserving the nesting female population of the Olive Ridley turtle (Lepidochelys olivacea) on the coast of Lobito. This study examines the nesting ecology of this species from 2020 to 2023. Females had an average CCL of 70.2 cm and CCW of 68.5 cm. These females laid 127 eggs in nests that averaged 47.0 cm deep. The ex situ nest incubation period averaged 60 days, and the hatchling success was 82.1%. Some techniques used in this project require modifications and enhancements. The utilization of photo identification did not yield the anticipated outcomes, prompting the adoption of passive integrated transponders (PITs) in the last season. However, due to limited funding, the success of this method is contingent upon an augmented field effort, allowing for the recapture of a larger number of females. The continuity of this project hinges upon collaboration between higher authorities and the local community. Together, it is possible to deepen the understanding of the nesting ecology of this species and address pivotal issues for its conservation, thereby implementing the most effective preservation measures.
Enhanced Degradation of Levofloxacin through Visible-Light-Driven Peroxymonosulfate Activation over CuInS2/g-C3N4 Heterojunctions
Authors: Zhong Xin , Ji Meihuan , Wu Wenxin , Lu Caicai , Liu Wenping , Jiang Fubin
Published: December 2023

In this work, the heterojunctions of CuInS2 embedded in the g-C3N4 materials (xCuInS2/g-C3N4, abbreviated as xCIS/GCN) was successfully prepared for peroxymonosulfate (PMS) activation under visible light. The catalysts are characterized by different techniques, such as XRD, FTIR, SEM, TEM, and UV-vis. The unique heterojunction composites can suppress the recombination of photogenerated pairs. The catalytic results showed that the 3CIS/GCN exhibited excellent catalytic levofloxacin (LVF) degradation efficiency, while more than 98.9% of LVF was removed in 60 min over a wide pH range. SO4•−, O2•−, OH•, and 1O2 were verified as the main reactive species for LVF degradation via the quenching experiments and electron paramagnetic resonance technology (EPR). The synergetic effect of xCIS/GCN, PMS, and visible light irradiation was discussed. The possible LVF degradation pathway was proposed through byproducts analysis (LC-MS). Moreover, the 3CIS/GCN/vis-PMS system has very low metal leaching. Owing to xCIS/GCN having good properties for PMS activation, it has potential applications for LVF or other hazardous pollutants degradation.
Bayesian Optimization of Wet-Impregnated Co-Mo/Al2O3 Catalyst for Maximizing the Yield of Carbon Nanotube Synthesis
Authors: Shin Sangsoo , Song Hyeongyun , Shin Yeon Su , Lee Jaegeun , Seo Tae Hoon
Published: December 2023

Multimetallic catalysts have demonstrated their high potential for the controlled synthesis of carbon nanotubes (CNTs), but their development requires a more complicated optimization than that of monometallic catalysts. Here, we employed Bayesian optimization (BO) to optimize the preparation of Co-Mo/Al2O3 catalyst using wet impregnation, with the goal of maximizing carbon yield in the chemical vapor deposition (CVD) synthesis of CNTs. In the catalyst preparation process, we selected four parameters to optimize: the weight percentage of metal, the ratio of Co to Mo in the catalyst, the drying temperature, and the calcination temperature. We ran two parallel BO processes to compare the performance of two types of acquisitions: expected improvement (EI), which does not consider noise, and one-shot knowledge gradient (OKG), which takes noise into account. As a result, both acquisition functions successfully optimized the carbon yield with similar performance. The result suggests that the use of EI, which has a lower computational load, is acceptable if the system has sufficient robustness. The investigation of the contour plots showed that the addition of Mo has a negative effect on carbon yield.
Bonding State and Thermal Expansion Coefficient of Mn-Doped Ba0.5Sr0.5FeO3−δ Perovskite Oxides for IT-SOFCs
Authors: Lim Taeheun , Yun Sung-sin , Jo Kanghee , Lee Heesoo
Published: December 2023

The oxygen vacancy formation behavior and electrochemical and thermal properties of Ba0.5Sr0.5Fe1−xMnxO3−δ (BSFMnx, x = 0–0.15) cathode materials were investigated. For thermogravimetric analysis, the weight decreased from 1.98% (x = 0) to 1.81% (x = 0.15) in the 400–950 °C range, which was due to oxygen loss from the lattice. The average oxidation state of the B-site increased, the Oads/Olat ratio decreased, and the binding energy of the Olat peak increased with Mn doping. These results indicate that Mn doping increases the strength of the metal–oxygen bond and decreases the amount of oxygen vacancies in the lattice. The electrical conductivity of BSFMnx increased with the temperature due to the thermally activated small-polaron hopping mechanism showing a maximum value of 10.4 S cm−1 (x = 0.15) at 450 °C. The area-specific resistance of BSFMn0.15 was 0.14 Ω cm2 at 700 °C and the thermal expansion coefficient (TEC) gradually decreased to 12.7 × 10−6 K−1, which is similar to that of Ce0.8Sm0.2O2 (SDC) (12.2 × 10−6 K−1). Mn doping increased the metal–oxygen bonding energy, which reduced the oxygen reduction reaction activity but improved the electrical conductivity and thermal stability with SDC.
Clonal Diversity, Antibiotic Resistance, and Virulence Factor Prevalence of Community Associated Staphylococcus aureus in Southeastern Virginia
Authors: Cranmer Katelyn D. , Pant Mohan D. , Quesnel Suzanne , Sharp Julia A.
Published: December 2023

Staphylococcus aureus is a significant human pathogen with a formidable propensity for antibiotic resistance. Worldwide, it is the leading cause of skin and soft tissue infections (SSTI), septic arthritis, osteomyelitis, and infective endocarditis originating from both community- and healthcare-associated settings. Although often grouped by methicillin resistance, both methicillin-resistant (MRSA) and methicillin-sensitive (MSSA) strains are known to cause significant pathologies and injuries. Virulence factors and growing resistance to antibiotics play major roles in the pathogenicity of community-associated strains. In our study, we examined the genetic variability and acquired antibiograms of 122 S. aureus clinical isolates from SSTI, blood, and urinary tract infections originating from pediatric patients within the southeast region of Virginia, USA. We identified a suite of clinically relevant virulence factors and evaluated their prevalence within these isolates. Five genes (clfA, spA, sbi, scpA, and vwb) with immune-evasive functions were identified in all isolates. MRSA isolates had a greater propensity to be resistant to more antibiotics as well as significantly more likely to carry several virulence factors compared to MSSA strains. Further, the carriage of various genes was found to vary significantly based on the infection type (SSTI, blood, urine).
Parasite Fauna and Coinfections in Urban Rats Naturally Infected by the Zoonotic Parasite Angiostrongylus cantonensis
Authors: Galán-Puchades María Teresa , Gosálvez Carla , Trelis María , Gómez-Samblás Mercedes , Solano-Parada Jennifer , Osuna Antonio , Sáez-Durán Sandra , Bueno-Marí Rubén , Fuentes Marius V.
Published: December 2023

When the zoonotic parasite of rodents that can cause human neuroangiostrongyliasis, i.e., Angiostrongylus cantonensis, is found in its natural definitive hosts, it is usually reported in isolation, as if the rat lungworm were the only component of its parasite community. In this study, we report the coinfections found in rats naturally infected by A. cantonensis in urban populations of Rattus norvegicus and Rattus rattus in Valencia, Spain. In addition to the rat lungworms, which were found in 14 of the 125 rats studied (a prevalence of 11.20%), 18 other parasite species (intestinal and tissular protists, microsporidia and helminths) were found, some of them with high burdens. Fourteen of these nineteen species found are potential zoonotic parasites, namely Blastocystis, Giardia duodenalis, Cryptosporidium spp., Enterocytozoon bieneusi, Encephalitozoon hellem, Toxoplasma gondii, Brachylaima spp., Hydatigera taeniaeformis s.l. larvae, Hymenolepis nana, Hymenolepis diminuta, Angiostrongylus cantonensis, Calodium hepaticum, Gongylonema neoplasticum and Moniliformis moniliformis. The total predominance of coinfected rats as well as their high parasite loads seem to indicate a trend towards parasite tolerance.
Partially Coherent Off-Axis Double Vortex Beam and Its Properties in Oceanic Turbulence
Authors: Chen Luli , Wang Guiqiu , Yin Yan , Zhong Haiyang , Liu Dajun , Wang Yaochuan
Published: December 2023

A partially coherent off-axis double vortex beam (PCOADVB) composed of two off-axis vortices is theoretically presented. The analytical equations of a PCOADVB in oceanic turbulence are presented, and the intensity profiles and the number of coherence vortices of the PCOADVBs are investigated based on the derived expressions. The numerical results show that the intensity profiles of PCOADVBs are determined by the initial topological charges M1 and M2 and the positions of the off-axis vortices (x1d,y1d) and (x2d,y2d). The intensity profiles of PCOADVBs will lose the off-axis ring intensity profile and acquire a Gaussian-like profile as z increases, and stronger oceanic turbulence and a smaller σ can help the PCOADVB evolve into a spot with a Gaussian-like profile faster on propagation. The number of coherence vortices of a PCOADVB in oceanic turbulence will increase on propagation. The PCOADVB may have potential applications in underwater laser sensing and wireless communications.
Fiber-Optic Hydraulic Sensor Based on an End-Face Fabry–Perot Interferometer with an Open Cavity
Authors: Morozov Oleg , Agliullin Timur , Sakhabutdinov Airat , Kuznetsov Artem , Valeev Bulat , Qaid Mohammed , Ponomarev Roman , Nurmuhametov Danil , Shmyrova Anastasia , Konstantinov Yuri
Published: December 2023

The paper describes the design and manufacturing process of a fiber optic microphone based on a macro cavity at the end face of an optical fiber. The study explores the step-by-step fabrication of a droplet-shaped macro cavity on the optical fiber’s end surface, derived from the formation of a quasi-periodic array of micro-cavities due to the fuse effect. Immersing the end face of an optical fiber with a macro cavity in liquid leads to the formation of a closed area of gas where interfacial surfaces act as Fabry–Perot mirrors. The study demonstrates that the macro cavity can act as a standard foundational element for diverse fiber optic sensors, using the droplet-shaped end-face cavity as a primary sensor element. An evaluation of the macro cavity interferometer’s sensitivity to length alterations is presented, highlighting its substantial promise for use in precise fiber optic measurements. However, potential limitations and further research directions include investigating the influence of external factors on microphone sensitivity and long-term stability. This approach not only significantly contributes to optical measurement techniques but also underscores the necessity for the continued exploration of the parameters influencing device performance.
Non-Gaussian Signal Statistics’ Impact on LIBS Analysis
Authors: Lednev Vasily N. , Sdvizhenskii Pavel A. , Liu Dashuang , Gudkov Sergey V. , Pershin Sergey M.
Published: December 2023

A detailed study has been carried out to reveal signal statistics’ impact on analysis sensitivity in laser-induced breakdown spectroscopy (LIBS) measurements. For several signals measured simultaneously, it was demonstrated that space-, spectra- and time-integrated plasma emission followed a normal distribution while the spectra- and time-resolved LIBS signal (atomic line intensity, plasma background emissions) distribution functions were biased compared to a Gaussian distribution function. For the first time in LIBS, the impact of a non-Gaussian distribution function on the limit of detection (LOD)’s determination has been studied in detail for single-shot spectra as well as for averaged spectra. Here, we demonstrated that the non-symmetrical distribution of the LIBS signals influenced the estimated LODs, so knowledge of a LIBS signal’s distribution function provides more reliable results, and the analysis sensitivity can be wrongly estimated if Gaussian distribution is presumed.
Design for Ultrafast Raster Photography with a Large Amount of Spatio-Temporal Information
Authors: Zhu Yongle , Zeng Xuanke , Ling Weijun , Zeng Liangwei , Zhao Yuxiang , Yang Jinfang , Li Jingzhen
Published: December 2023

Due to the lack of theoretical research on the amount of spatio-temporal information in high-speed photography technologies, obtaining an optimized system with the best amount of spatio-temporal information remains a challenge, resulting in insufficient effective information and observation accuracy for ultrafast events. This paper presents an ultrafast raster imaging (URI) system with a large amount of spatio-temporal information based on the all-optical raster principle in single-shot. Specifically, we derive the optimal equation of spatial resolution and the expression for the maximum amount of spatio-temporal information that can achieve excellent performance for a URI system. It serves as a general guideline for obtaining a large amount of information design in the URI system. Compared with the existing URI systems, the advanced URI system exhibits an improvement of nearly one order of magnitude in the amount of spatio-temporal information and more than twofold in spatial resolution. It shows great potential for capturing intricate and non-repetitive ultrafast events on the femtosecond time scale.