bluuebunny/crossref_metadata_2025 huggingface dataset:
Retrospective Application of Risk Scores to Unruptured Anterior Communicating Artery Aneurysms
Authors: Wójtowicz Katarzyna , Przepiorka Lukasz , Kujawski Sławomir , Maj Edyta , Marchel Andrzej , Kunert Przemysław
Published: January 2024

Background: Treatment decisions for unruptured intracranial aneurysms (UIAs) pose a challenge for neurosurgeons, prompting the development of clinical scales assessing hemorrhage risk to provide management guidance. This study compares recommendations from the PHASES and UIA treatment scores (UIATS) applied to anterior communicating artery (AComA) UIAs against real-world management. Methods: While UIATS recommends management, for PHASES, an aneurysm with score of 10 or more was considered “high-risk”. Analysis involved assessing the concordance in each group alongside comparison to real-word management. Results: Among 129 patients, 46.5% were observed and 53.5% were treated. PHASES scores were significantly higher in the treatment group (p = 0.00002), and UIATS recommendations correlated with real-world decisions (p < 0.001). We observed no difference in the frequencies of UIATS recommendations between high- and low-risk groups. When comparing the UIATS and PHASES, 33% of high-risk aneurysms received a UIATS conservative management recommendation. In 39% of high-risk aneurysms, the UIATS recommendation was not definitive. Conversely, 27% of low-risk aneurysms obtained a UIATS UIA repair recommendation. Overall, concordance between PHASES and UIATS was 32%. Conclusions: Significant discordance in therapeutic suggestions underscores the predominant influence of center experience and individual assessments. Future studies should refine and validate decision-making strategies, potentially exploring alternative applications or developing tailored scales.
Exploring the Relationship between Diamine Oxidase and Psychotropic Medications in Fibromyalgia Treatment, Finding No Reduction in Diamine Oxidase Levels and Activity except with Citalopram
Authors: Tobajas Yaiza , Alemany-Fornés Marc , Samarra Iris , Romero-Giménez Jordi , Cuñé-Castellana Jordi , Tintoré Maria , del Pino Antoni , Canela Núria , del Bas Josep M. , Ortega-Olivé Nàdia , de Lecea Carlos , Escoté Xavier
Published: January 2024

Background: Histamine intolerance manifests when there is an imbalance between the production of histamine and the body’s capacity to metabolise it. Within the gastrointestinal tract, diamine oxidase (DAO) plays a pivotal role in breaking down ingested histamine. Insufficient levels of DAO have been linked to various diseases affecting the respiratory, cardiovascular, nervous, muscular, and digestive systems; some of these symptoms are evidenced in fibromyalgia syndrome. This underscores the crucial role of DAO in maintaining the histamine balance and highlights its association with diverse physiological systems and health conditions. The management of fibromyalgia commonly involves the use of psychotropic medications; however, their potential interactions with DAO remain not fully elucidated. Methods: This study delved into the influence of various psychotropic medications on DAO activity through in vitro experiments. Additionally, we explored their impact on the human intestinal cell line Caco-2, examining alterations in DAO expression at both the mRNA and protein levels along with DAO activity. Results: Notably, the examined drugs—sertraline, pregabalin, paroxetine, alprazolam, and lorazepam—did not exhibit inhibitory effects on DAO activity or lead to reductions in DAO levels. In contrast, citalopram demonstrated a decrease in DAO activity in in vitro assays without influencing DAO levels and activity in human enterocytes. Conclusions: These findings imply that a collaborative approach involving psychotropic medications and DAO enzyme supplementation for individuals with fibromyalgia and a DAO deficiency could offer potential benefits for healthcare professionals in their routine clinical practice.
Predictive Role of Pre-Operative Anemia in Early Recurrence of Endometrial Cancer: A Single-Center Study in Romania
Authors: Ionică Mihaela , Biris Marius , Gorun Florin , Nicolae Nicoleta , Popa Zoran Laurentiu , Muresan Maria Cezara , Forga Marius , Erdelean Dragos , Erdelean Izabella , Gorun Mihai Adrian , Neagoe Octavian Constantin
Published: January 2024

This study aims to investigate the association between anemia and early recurrence in endometrial cancer patients. We retrospectively analyzed the data of 473 endometrial cancer patients treated at our hospital from January 2015 to December 2020. Patients were divided into two groups based on their hemoglobin (Hb) level: anemia group (Hb < 12 g/dL) and non-anemia group (Hb ≥12 g/dL). Early recurrence was defined as recurrence within 2 years of diagnosis. Univariate and multivariate logistic regression analyses were used to identify the predictors of early recurrence. The prevalence of anemia was 38.26% (181/473). The incidence of early recurrence was 12.89% (61/473) in the anemia group and 9.24% (38/412) in the non-anemia group (p = 0.004). Univariate analysis showed that anemia was a significant predictor of early recurrence (odds ratio (OR) = 2.27, 95% confidence interval (CI): 1.35–3.80, p = 0.003). Multivariate analysis confirmed that anemia was an independent predictor of early recurrence (OR = 2.11, 95% CI: 1.21–3.84, p = 0.01). Anemia is an independent predictor of early recurrence in endometrial cancer patients. Patients with endometrial cancer should be screened for anemia and treated if present. Additionally, patients with anemia should be closely monitored for early signs of recurrence and treated aggressively.
Preoperative Spinal Arterial Supply Mapping Using Non-Selective Cone Beam Computed Tomography before Complex Aortic Repair
Authors: Bonnet Baptiste , Kobeiter Hicham , Pescatori Lorenzo , Zaarour Youssef , Boughanmi Wafa , Ghosn Mario , Cochennec Frédéric , Mongardon Nicolas , Desgranges Pascal , Tacher Vania , Derbel Haytham
Published: January 2024

Pre-op spinal arterial mapping is crucial for complex aortic repair. This study explores the utility of non-selective cone beam computed tomography (CBCT) for pre-operative spinal arterial mapping to identify the Adamkiewicz artery (AKA) in patients undergoing open or endovascular repair of the descending thoracic or thoracoabdominal aorta at risk of spinal cord ischemia. Pre-operative non-selective dual-phase CBCT after intra-aortic contrast injection was performed in the aortic segment to be treated. The origin of detected AKA was assessed based on image fusion between CBCT and pre-interventional computed tomography angiography. Then, the CBCT findings were compared with the incidence of postoperative spinal cord ischemia (SCI). Among 21 included patients (median age: 68 years, 20 men), AKA was detected in 67% within the explored field of view, predominantly from T7 to L1 intercostal and lumbar arteries. SCI occurred in 14%, but none when AKA was not detected (p < 0.01). Non-selective CBCT for AKA mapping is deemed safe and feasible, with potential predictive value for post-surgical spinal cord ischemia risk. The study concludes that non-selective aortic CBCT is a safe and feasible method for spinal arterial mapping, providing promising insights into predicting post-surgical SCI risk.
Steatotic Liver Disease and Sepsis Outcomes—A Prospective Cohort Study (SepsisFAT)
Authors: Krznaric Juraj , Papic Neven , Vrsaljko Nina , Gjurasin Branimir , Kutlesa Marko , Vince Adriana
Published: January 2024

Background: While it has been shown that steatotic liver disease (SLD) is associated with systemic changes in immune response, the impact of SLD on sepsis outcomes has not yet been established. The aim of this study was to investigate the association between SLD and sepsis severity and outcomes. Methods: A prospective observational study included consecutively hospitalized adult patients with community-acquired sepsis during a 16-month period. Results: Of the 378 included patients (49.5% male, median age of 69, IQR 57–78 years), 174 (46%) were diagnosed with SLD. Patients with SLD were older and more frequently fulfilled the criteria for metabolic syndrome. There were no differences in the source and etiology of sepsis between the groups. Patients with SLD exhibited a higher incidence of acute kidney injury (29.3% vs. 17.6%), the need for renal replacement therapy (16.1% vs. 8.8%), and more frequent use of invasive mechanical ventilation (29.3% vs. 18.1%). In-hospital mortality was significantly higher in the SLD group (18.39% vs. 9.8%). The multivariable analysis indicated that SLD was associated with mortality (HR 2.82, 95% CI 1.40–5.71) irrespective of the other elements within metabolic syndrome. Conclusions: SLD might be associated with higher sepsis in-hospital mortality, and more frequent development of acute kidney and respiratory insufficiency requiring more critical care support.
Impact of Stem Cells on Reparative Regeneration in Abdominal and Dorsal Skin in the Rat
Authors: Kananykhina Evgeniya , Elchaninov Andrey , Bolshakova Galina
Published: January 2024

A characteristic feature of repair processes in mammals is the formation of scar tissue at the site of injury, which is designed to quickly prevent contact between the internal environment of the organism and the external environment. Despite this general pattern, different organs differ in the degree of severity of scar changes in response to injury. One of the areas in which regeneration after wounding leads to the formation of a structure close to the original one is the abdominal skin of laboratory rats. Finding out the reasons for such a phenomenon is essential for the development of ways to stimulate full regeneration. The model of skin wound healing in the abdominal region of laboratory animals was reproduced in this work. It was found that the wound surface is completely epithelialized on the abdomen by 20 days, while on the back—by 30 days. The qPCR method revealed higher expression of marker genes of skin stem cells (Sox9, Lgr6, Gli1, Lrig1) in the intact skin of the abdomen compared to the back, which corresponded to a greater number of hairs with which stem cells are associated on the abdomen compared to the back. Considering that some stem cell populations are associated with hair, it can be suggested that one of the factors in faster regeneration of abdominal skin in the rat is the greater number of stem cells in this area.
Influence of Urban Park Pathway Features on the Density and Intensity of Walking and Running Activities: A Case Study of Shanghai City
Authors: Chen Junqi , Tao Zheng , Wu Wenrui , Wang Ling , Chen Dan
Published: January 2024

Walking and running activities (W&RAs), encompassing strolling, slow walking, brisk walking, jogging, and running, hold significant importance as popular forms of exercise within urban parks. Recognized for their efficacy in promoting public health and preventing chronic diseases, understanding the nuanced impact of pathway features on W&RAs is crucial for advancing health-centric urban park planning. Based on extensive, high-frequency field observation data, we utilize multiple OLS regression models and univariate OLS regression models to investigate the relationship between urban park pathway features and variations in W&RAs, specifically examining activity density and intensity. Subsequently, we propose corresponding pathway optimization strategies. Our findings highlight the primary determinants, with vegetation coverage ratio, path type, and security facility density influencing activity density; and control value, time required to reach the nearest entrance, and pavement type influencing activity intensity. Significantly, increased vegetation coverage enhances density, while interconnected spaces and improved accessibility elevate intensity. In conclusion, our study delineates key features that merit prioritization, specifies their optimal ranges and proposes optimization design strategies for urban park pathways. By shedding light on these considerations, our research contributes valuable insights to the realm of health-oriented urban park planning and design.
A Multifunctional Cementitious Composite for Pavement Subgrade
Authors: Roshan Mohammad Jawed , Abedi Mohammadmahdi , Gomes Correia António , Fangueiro Raul , Mendes Paulo Mateus
Published: January 2024

Premature failure and degradation of layers are the main problems for transportation infrastructure. Addressing these issues necessitates implementing structural health monitoring (SHM) for pavement construction layers. To this end, this research investigated the stress/strain and damage detection capabilities of a self-sensing cementitious composite developed for potential utilization in the construction of an intelligent subgrade layer. The prepared self-sensing cementitious composite consisted of 10% cement and hybrid conductive fillers, including multiwalled carbon nanotubes (MWCNTs) and graphene nanoplatelets (GNPs) in sand. Initial findings reveal that the electrical resistivity of the composite is significantly affected by the concentration of MWCNTs/GNPs, with a minimum concentration of more than 0.5% needed to achieve a responsive cementitious composite. Moreover, the piezoresistive analysis indicates that an increase in the concentration of MWCNTs/GNPs and stress levels leads to an improvement in the stress/strain-sensing performance. When the self-sensing cementitious composite is subjected to equivalent stress levels, variations in the fractional changes in resistivity (FCR) exhibit an increasing trend with decreasing resilient modulus, stemming from a decrease in stiffness due to the increased concentration of MWCNTs/GNPs. Additionally, the electrochemical impedance spectroscopy (EIS) analysis demonstrates a contraction for the Nyquist plots under compressive ramp loading prior to failure, followed by the expansion of these curves post-failure. Scanning electron microscopy (SEM) images visually showcase the bridging effects of MWCNTs and the filling effects of GNPs within the composite structure.
Laser Welding of Titanium/Steel Bimetallic Sheets with In Situ Formation of Fex(CoCrNiMn)Tiy High-Entropy Alloys in Weld Metal
Authors: Liu Dejia , Ma Zhe , Xue Nianlong , Wang Weixiong , Han Shanguo
Published: January 2024

Due to the notable disparities in the physical and chemical characteristics between titanium and steel, the direct fusion of titanium/steel bimetallic sheets results in a considerable formation of fragile intermetallic compounds, making it difficult to achieve excellent metallurgical welded joints. In this study, a multi-principal powder of CoCrNiMn was designed and utilized as a filler material in the welding of the TA1/Q345 bimetallic sheet. It was expected that the in situ formation of Fex(CoCrNiMn)Tiy high-entropy alloys would be achieved using the filler powders, combined with the Ti and Fe elements from the melting of the TA1 and Q345 so as to restrain the generation of Fe-Ti IMCs and obtain the promising welded joints of the TA1/Q345 bimetallic sheet. An interesting finding is that high-entropy alloys were successfully obtained in the weld metal. The Fe-Ti intermetallic compounds at the welding interface were significantly reduced. The tensile strength was ~293 MPa, accounting for 60% of the strength of the base metal. Dimples were observed at the fracture of the welded joint.
Innovative Approaches to 3D Printing of PA12 Forearm Orthoses: A Comprehensive Analysis of Mechanical Properties and Production Efficiency
Authors: Zakręcki Andrzej , Cieślik Jacek , Bazan Anna , Turek Paweł
Published: January 2024

This research paper aims to explore the mechanical characteristics of polyamide PA12 (PA12) as a 3D material printed utilizing Selective Laser Sintering (SLS) and HP MultiJet Fusion (HP MJF) technologies in order to design and manufacture forearm orthoses. The study assessed the flowability of the materials used and compared the mechanical performance of PA12 with each other using tensile, flexure, and impact tests in five different fabrication orientations: X, Y, Z, tilted 45° XZ, and tilted 45° YZ. The results of the study provide, firstly—the data for testing the quality of the applied polyamide powder blend and, secondly—the data for the design of the orthosis geometry from the aspect of its strength parameters and the safety of construction. The mechanical parameters of SLS specimens had less variation than MJF specimens in a given orientation. The difference in tensile strength between the 3D printing technologies tested was 1.8%, and flexural strength was 4.7%. A process analysis of the forearm orthoses revealed that the HP MJF 5200 system had a higher weekly production capacity than the EOS P396 in a production variance based on obtaining maximum strength parameters and a variance based on maximizing economic efficiency. The results suggest that medical device manufacturers can use additive manufacturing technologies to produce prototypes and small-batch parts for medical applications. This paper pioneers using 3D printing technology with Powder Bed Fusion (PBF) methods in designing and manufacturing forearm orthoses as a low- to medium-volume product. The applied solution addresses the problem of medical device manufacturers with regard to the analysis of production costs and mechanical properties when using 3D printing for certified medical devices.
Penisimplicins A and B: Novel Polyketide–Peptide Hybrid Alkaloids from the Fungus Penicillium simplicissimum JXCC5
Authors: Wang Qing-Yuan , Gao Yang , Yao Jian-Neng , Zhou Li , Chen He-Ping , Liu Ji-Kai
Published: January 2024

In this study, two previously undescribed nitrogen-containing compounds, penisimplicins A (1) and B (2), were isolated from Penicillium simplicissimum JXCC5. The structures of 1 and 2 were elucidated on the basis of comprehensive spectroscopic data analysis, including 1D and 2D NMR and HRESIMS data. The absolute configuration of 2 was determined by Marfey’s method, ECD calculation, and DP4+ analysis. Both structures of 1 and 2 feature an unprecedented manner of amino acid-derivatives attaching to a polyketide moiety by C-C bond. The postulated biosynthetic pathways for 1 and 2 were discussed. Additionally, compound 1 exhibited significant acetylcholinesterase inhibitory activity, with IC50 values of 6.35 μM.
A Photoelectrochemical Sensor for the Detection of Hypochlorous Acid with a Phenothiazine-Based Photosensitizer
Authors: Luo Lijie , Yang Yewen , Chen Shu , Zhang Peisheng , Zeng Rongjin
Published: January 2024

This paper presents the development of a photoelectrochemical sensor for hypochlorous acid (HOCl) detection, employing a phenothiazine-based organic photosensitizer (Dye-PZ). The designed probe, Dye-PZ, follows a D-π-A structure with phenothiazine as the electron-donating group and a cyano-substituted pyridine unit as the electron-accepting group. A specific reaction of the phenothiazine sulfur atom with HOCl enables selective recognition. The covalent immobilization of Dye-PZ onto a titanium dioxide nanorod-coated fluorine-doped tin oxide electrode (FTO/TiO2) using bromo-silane coupling agent (BrPTMS) resulted in the fabrication of the photoanode FTO/TiO2/BrPTMS/Dye-PZ. The photoanode exhibited a significant photoresponse under visible-light irradiation, with a subsequent reduction in photocurrent upon reaction with HOCl. The oxidation of the phenothiazine sulfur atom to a sulfoxide diminished the internal charge transfer (ICT) effect. Leveraging this principle, the successful photoelectrochemical sensing of HOCl was achieved. The sensor showed high stability, excellent reproducibility, and selective sensitivity for HOCl detection. Our study provides a novel approach for the development of efficient photoelectrochemical sensors based on organic photosensitizers, with promising applications in water quality monitoring and biosensing.
Role of Alkyl Chain Length in Surfactant-Induced Precipitation of Reactive Brilliant Blue KN-R
Authors: Liu Hongyu , Chang Yunkang , Li Yuhuan , Cao Chengsong , Li Rui
Published: January 2024

To develop a cost-effective method for the effective removal of reactive brilliant blue KN-R (RBB KN-R) from wastewater, we investigated the interactions between RBB KN-R and three cationic surfactants with different alkyl chain lengths, namely dodecyltrimethylammonium bromide (DTAB), tetradecyltrimethylammonium bromide (TTAB), and cetyltrimethylammonium bromide (CTAB). Employing a conductivity analysis, surface tension analysis, ultraviolet-visible spectrophotometry, and molecular dynamics simulation, we ascertained that RBB KN-R formed a 1:1 molar ratio dye–surfactant complex with each surfactant through electrostatic attraction. Notably, an augmentation in alkyl chain length correlated with increased binding strength between RBB KN-R and the surfactant. The resulting dye–surfactant complex exhibited heightened surface activity, enabling interactions through hydrophobic forces to generate dye–surfactant aggregates when the molar ratio was below 1:1. Within these mixed aggregates, self-assembly of RBB KN-R molecules occurred, leading to the formation of dye aggregates. Due to the improved hydrophobicity with increased alkyl chain length, TTAB and CTAB could encapsulate dye aggregates within the mixed aggregates, but DTAB could not. The RBB KN-R aggregates tended to distribute on the surface of the RBB KN-R-DTAB mixed aggregates, resulting in low stability. Thus, at a DTAB concentration lower than CMC, insoluble particles readily formed and separated from surfactant aggregates at an RBB KN-R and DTAB molar ratio of 1:4. Analyzing the RBB KN-R precipitate through scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR) and measuring the DTAB concentration in the supernate revealed that, at this molar ratio, all RBB KN-R precipitated from the dye–surfactant mixed solution, with only 7.5 ± 0.5% of DTAB present in the precipitate. Furthermore, the removal ratio of RBB KN-R reached nearly 100% within a pH range of 1.0 to 9.0 and standing time of 6 h. The salt type and concentration did not significantly affect the precipitation process. Therefore, this simultaneous achievement of successful RBB KN-R removal and effective separation from DTAB underscores the efficacy of the proposed approach.
The Potential of Cyclodextrins as Inhibitors for the BM2 Protein: An In Silico Investigation
Authors: Liu Aijun , Zhang Hao , Zheng Qingchuan , Wang Song
Published: January 2024

The influenza BM2 transmembrane domain (BM2TM), an acid-activated proton channel, is an attractive antiviral target due to its essential roles during influenza virus replication, whereas no effective inhibitors have been reported for BM2. In this study, we draw inspiration from the properties of cyclodextrins (CDs) and hypothesize that CDs of appropriate sizes may possess the potential to act as inhibitors of the BM2TM proton channel. To explore this possibility, molecular dynamics simulations were employed to assess their inhibitory capabilities. Our findings reveal that CD4, CD5, and CD6 are capable of binding to the BM2TM proton channel, resulting in disrupted water networks and reduced hydrogen bond occupancy between H19 and the solvent within the BM2TM channel necessary for proton conduction. Notably, CD4 completely obstructs the BM2TM water channel. Based on these observations, we propose that CD4, CD5, and CD6 individually contribute to diminishing the proton transfer efficiency of the BM2 protein, and CD4 demonstrates promising potential as an inhibitor for the BM2 proton channel.
Natural Deep Eutectic Solvents as Rust Removal Agents from Lithic and Cellulosic Substrates
Authors: Gabriele Francesco , Casieri Cinzia , Spreti Nicoletta
Published: January 2024

The peculiar physicochemical features of deep eutectic solvents (DESs), in particular their tunability, make them ideal media for various applications. Despite their ability to solubilize metal oxides, their use as rust removers from valuable substrates has not yet been thoroughly investigated. In this study, we chose three known DESs, consisting of choline chloride and acetic, oxalic or citric acid for evaluating their ability to remove corrosion products from a cellulose-based material as linen fabric and two different lithotypes, as travertine and granite. The artificial staining was achieved by placing a rusty iron grid on their surfaces. The DESs were applied by means of cellulose poultice on the linen fabrics, while on the rusted stone surfaces with a cotton swab. Macro- and microscopic observations, colorimetry and SEM/EDS analysis were employed to ascertain the cleaning effectiveness and the absence of side effects on the samples after treatment. Oxalic acid-based DES was capable of removing rust stains from both stone and cellulose-based samples, while choline chloride/citric acid DES was effective only on stone specimens. The results suggest a new practical application of DESs for the elimination of rust from lithic and cellulosic substrates of precious and artistic value.
Extraction Optimization and Qualitative/Quantitative Determination of Bioactive Abietane-Type Diterpenes from Three Salvia Species (Common Sage, Greek Sage and Rosemary) by 1H-qNMR
Authors: Kallimanis Panagiotis , Magiatis Prokopios , Panagiotopoulou Angeliki , Ioannidis Kostas , Chinou Ioanna
Published: January 2024

The objective of this study was the optimization of the extraction process and the qualitative and quantitative determination of the bioactive metabolites: 12-O-methylcarnosic acid (12MCA), carnosic acid (CA), carnosol (CS), 7-O-methyl-epi-rosmanol (7MER) and rosmanol (RO) in infusions, decoctions, turbulent flow extracts, tinctures and oleolites from three Salvia species: Salvia officinalis L. (common sage, SO), Salvia fruticosa Mill. (Greek sage, SF) and Salvia rosmarinus Spenn (syn Rosmarinus officinalis L.) (rosemary, SR), using Quantitative Proton Nuclear Magnetic Resonance Spectroscopy (1H-qNMR). Regarding the aqueous extracts, decoctions appeared to be richer sources of the studied metabolites than infusions among the three plants. For SR, the turbulent flow extraction under heating was the most efficient one. The optimum time for the preparation of decoctions was found to be 5 min for SF and SO and 15 min for SR. It is noteworthy that SR tinctures were not stable in time due to decomposition of the abietane-type diterpenes CA and CS because of the polar solvent used for their preparation. Contrary to this finding, the oleolites of SR appeared to be very stable. Olive oil as a solvent for extraction was very protective for the contained abietane-type diterpenes. A preliminary stability study on the effect of the storage time of the SF on the abietane-type diterpenes content showed that the total quantity of abietanes decreased by 16.51% and 40.79% after 12 and 36 months, respectively. The results of this investigation also demonstrated that 1H-qNMR is very useful for the analysis of sensitive metabolites, like abietane-type diterpenes, that can be influenced by solvents used in chromatographic analysis.
Synthesis and Primary Activity Assay of Novel Benitrobenrazide and Benserazide Derivatives
Authors: Juszczak Karolina , Szczepankiewicz Wojciech , Walczak Krzysztof
Published: January 2024

Schiff bases attract research interest due to their applications in chemical synthesis and medicinal chemistry. In recent years, benitrobenrazide and benserazide containing imine moiety have been synthesized and characterized as promising inhibitors of hexokinase 2 (HK2), an enzyme overexpressed in most cancer cells. Benserazide and benitrobenrazide possess a common structural fragment, a 2,3,4-trihydroxybenzaldehyde moiety connected through a hydrazone or hydrazine linker acylated on an N′ nitrogen atom by serine or a 4-nitrobenzoic acid fragment. To avoid the presence of a toxicophoric nitro group in the benitrobenrazide molecule, we introduced common pharmacophores such as 4-fluorophenyl or 4-aminophenyl substituents. Modification of benserazide requires the introduction of other endogenous amino acids instead of serine. Herein, we report the synthesis of benitrobenrazide and benserazide analogues and preliminary results of inhibitory activity against HK2 evoked by these structural changes. The derivatives contain a fluorine atom or amino group instead of a nitro group in BNB and exhibit the most potent inhibitory effects against HK2 at a concentration of 1 µM, with HK2 inhibition rates of 60% and 54%, respectively.
Cytotoxicity Enhancement in Osteosarcoma with Multifunctional I-131 Radiotherapeutic Nanoparticles: In Vitro Three-Dimensional Spheroid Model and Release Kinetics Modeling
Authors: Marshall Suphalak Khamruang , Taweesap Maneerat , Saelim Boonyisa , Pachana Verachai , Benlateh Nadeeya , Sangangam Sireetorn , Bumrungsin Achiraya , Kholo-asae Haswanee , Wongtechanon Issaree
Published: January 2024

This novel radiolabeled chitosan nanoparticle, facilitated with curcumin, increased doxorubicin cytotoxicity and radiosensitivity to MG-63 osteosarcoma cells in a three-dimensional model. Delivery of the anti-epidermal growth factor receptor (EGFR) targeted carboxymethyl chitosan nanoparticles, directly labeled with Na131I (ICED-N), achieved deep tumor penetration in a three-dimensional model. Of three kinetic models, the Higuchi model more closely matched the experimental curve and release profiles. The anti-EGFR targeting resulted in a 513-fold greater targeting efficacy to MG-63 (EGFR+) cells than the control fibroblast (EGFR−) cells. The curcumin-enhanced ICED-N (4 × 0.925 MBq) fractionated-dose regime achieved an 18.3-fold increase in cell cytotoxicity compared to the single-dose (1 × 3.70 MBq) doxorubicin-loaded nanoparticle, and a 13.6-fold increase in cell cytotoxicity compared to the single-dose Na131I nanoparticle. Moreover, the ICED-N fractionated dose increased cells in the G2/M phase 8.78-fold, indicating the cell cycle arrest in the G2/M phase is associated with DNA fragmentation, and the intracellular damage is unable to be repaired. Overall, the results indicate that the fractionated dose was more efficacious than a single dose, and curcumin substantially increased doxorubicin cytotoxicity and amplified osteosarcoma cell radiosensitivity to Na131I.
Visible Light Photoactivity of g-C3N4/MoS2 Nanocomposites for Water Remediation of Hexavalent Chromium
Authors: Tian Chunmei , Yu Huijuan , Zhai Ruiqi , Zhang Jing , Gao Cuiping , Qi Kezhen , Zhang Yingjie , Ma Qiang , Guo Mengxue
Published: January 2024

Water pollution has becoming an increasingly serious issue, and it has attracted a significant amount of attention from scholars. Here, in order remove heavy metal hexavalent chromium (Cr (VI)) from wastewater, graphitic carbon nitride (g-C3N4) was modified with molybdenum disulfide (MoS2) at different mass ratios via an ultrasonic method to synthesize g-C3N4/MoS2 (CNM) nanocomposites as photocatalysts. The nanocomposites displayed efficient photocatalytic removal of toxic hexavalent chromium (Cr (VI)) from water under UV, solar, and visible light irradiation. The CNM composite with a 1:2 g-C3N4 to MoS2 ratio achieved optimal 91% Cr (VI) removal efficiency at an initial 20 mg/L Cr (VI) concentration and pH 3 after 120 min visible light irradiation. The results showed a high pH range and good recycling stability. The g-C3N4/MoS2 nanocomposites exhibited higher performance compared to pure g-C3N4 due to the narrowed band gap of the Z-scheme heterojunction structure and effective separation of photo-generated electron–hole pairs, as evidenced by structural and optical characterization. Overall, the ultrasonic synthesis of g-C3N4/MoS2 photocatalysts shows promise as an efficient technique for enhancing heavy metal wastewater remediation under solar and visible light.
Optimizing Trilobatin Production via Screening and Modification of Glycosyltransferases
Authors: Yang Yue , Cheng Yuhan , Bai Tao , Liu Shimeng , Du Qiuhui , Xia Wenhao , Liu Yi , Wang Xiao , Chen Xianqing
Published: January 2024

Trilobatin (TBL) is a key sweet compound from the traditional Chinese sweet tea plant (Rubus suavissimus S. Lee). Because of its intense sweetness, superior taste profile, and minimal caloric value, it serves as an exemplary natural dihydrochalcone sweetener. It also has various health benefits, including anti-inflammatory and glucose-lowering effects. It is primarily produced through botanical extraction, which impedes its scalability and cost-effectiveness. In a novel biotechnological approach, phloretin is used as a precursor that is transformed into TBL by the glycosyltransferase enzyme ph-4′-OGT. However, this enzyme’s low catalytic efficiency and by-product formation limit the large-scale synthesis of TBL. In our study, the enzyme Mdph-4′-OGT was used to screen 17 sequences across species for TBL synthesis, of which seven exhibited catalytic activity. Notably, PT577 exhibited an unparalleled 97.3% conversion yield within 3 h. We then optimized the reaction conditions of PT577, attaining a peak TBL bioproduction of 163.3 mg/L. By employing virtual screening, we identified 25 mutation sites for PT577, thereby creating mutant strains that reduced by-products by up to 50%. This research enhances the enzymatic precision for TBL biosynthesis and offers a robust foundation for its industrial-scale production, with broader implications for the engineering and in silico analysis of glycosyltransferases.
Conformational States of the GDP- and GTP-Bound HRAS Affected by A59E and K117R: An Exploration from Gaussian Accelerated Molecular Dynamics
Authors: Yu Zhiping , Wang Zhen , Cui Xiuzhen , Cao Zanxia , Zhang Wanyunfei , Sun Kunxiao , Hu Guodong
Published: January 2024

The HRAS protein is considered a critical target for drug development in cancers. It is vital for effective drug development to understand the effects of mutations on the binding of GTP and GDP to HRAS. We conducted Gaussian accelerated molecular dynamics (GaMD) simulations and free energy landscape (FEL) calculations to investigate the impacts of two mutations (A59E and K117R) on GTP and GDP binding and the conformational states of the switch domain. Our findings demonstrate that these mutations not only modify the flexibility of the switch domains, but also affect the correlated motions of these domains. Furthermore, the mutations significantly disrupt the dynamic behavior of the switch domains, leading to a conformational change in HRAS. Additionally, these mutations significantly impact the switch domain’s interactions, including their hydrogen bonding with ligands and electrostatic interactions with magnesium ions. Since the switch domains are crucial for the binding of HRAS to effectors, any alterations in their interactions or conformational states will undoubtedly disrupt the activity of HRAS. This research provides valuable information for the design of drugs targeting HRAS.
Research on the Interaction Mechanism and Structural Changes in Human Serum Albumin with Hispidin Using Spectroscopy and Molecular Docking
Authors: Fan Si-Hua , Wang Wen-Qiang , Zhou Yu-Wen , Gao Xue-Jun , Zhang Qiang , Zhang Ming-Hui
Published: January 2024

The interaction between human serum albumin (HSA) and hispidin, a polyketide abundantly present in both edible and therapeutic mushrooms, was explored through multispectral methods, hydrophobic probe assays, location competition trials, and molecular docking simulations. The results of fluorescence quenching analysis showed that hispidin quenched the fluorescence of HSA by binding to it via a static mechanism. The binding of hispidin and HSA was validated further by synchronous fluorescence, three-dimensional fluorescence, and UV/vis spectroscopy analysis. The apparent binding constant (Ka) at different temperatures, the binding site number (n), the quenching constants (Ksv), the dimolecular quenching rate constants (Kq), and the thermodynamic parameters (∆G, ∆H, and ∆S) were calculated. Among these parameters, ∆H and ∆S were determined to be 98.75 kJ/mol and 426.29 J/(mol·K), respectively, both exhibiting positive values. This observation suggested a predominant contribution of hydrophobic forces in the interaction between hispidin and HSA. By employing detergents (SDS and urea) and hydrophobic probes (ANS), it became feasible to quantify alterations in Ka and surface hydrophobicity, respectively. These measurements confirmed the pivotal role of hydrophobic forces in steering the interaction between hispidin and HSA. Site competition experiments showed that there was an interaction between hispidin and HSA molecules at site I, which situates the IIA domains of HSA, which was further confirmed by the molecular docking simulation.
Vitamin D and Aging: Central Role of Immunocompetence
Authors: Carlberg Carsten , Velleuer Eunike
Published: January 2024

The pro-hormone vitamin D3 is an important modulator of both innate and adaptive immunity since its biologically active metabolite 1α,25-dihydroxyvitamin D3 (1,25(OH)2D3) regulates via the transcription factor VDR (vitamin D receptor) the epigenome and transcriptome of human immune cells and controls in this way the expression of hundreds of vitamin D target genes. Since the myeloid linage of hematopoiesis is epigenetically programmed by VDR in concert with the pioneer factors PU.1 (purine-rich box 1) and CEBPα (CCAAT/enhancer binding protein α), monocytes, macrophages, and dendritic cells are the most vitamin D-sensitive immune cell types. The central role of the immune system in various aging-related diseases suggests that immunocompetence describes not only the ability of an individual to resist pathogens and parasites but also to contest non-communicative diseases and the process of aging itself. In this review, we argue that the individual-specific responsiveness to vitamin D relates to a person’s immunocompetence via the epigenetic programming function of VDR and its ligand 1,25(OH)2D3 during hematopoiesis as well as in the periphery. This may provide a mechanism explaining how vitamin D protects against major common diseases and, in parallel, promotes healthy aging.
RETRACTED: Alhakamy et al. Chitosan-Based Microparticles Enhance Ellagic Acid’s Colon Targeting and Proapoptotic Activity. Pharmaceutics 2020, 12, 652
Authors: Alhakamy Nabil A. , Ahmed Osama A. A. , Kurakula Mallesh , Caruso Giuseppe , Caraci Filippo , Asfour Hani Z. , Alfarsi Anas , Eid Basma G. , Mohamed Amir I. , Alruwaili Nabil K. , Abdulaal Wesam H. , Fahmy Usama A. , Alhadrami Hani A. , Eldakhakhny Basmah M. , Abdel-Naim Ashraf B.
Published: January 2024

The journal retracts the article “Chitosan-Based Microparticles Enhance Ellagic Acid’s Colon Targeting and Proapoptotic Activity” [...]
The Fabaceae in Northeastern Mexico (Subfamily Caesalpinioideae, Mimosoideae Clade, Tribes Mimoseae, Acacieae, and Ingeae)
Authors: Estrada-Castillón Eduardo , Villarreal-Quintanilla José Ángel , Cuéllar-Rodríguez Gerardo , Encina-Domínguez Juan Antonio , Martínez-Ávalos José Guadalupe , Mora-Olivo Arturo , Sánchez-Salas Jaime
Published: January 2024

A synoptic compendium of the legumes of the Mimosoideae clade in northeastern Mexico is presented for the first time, including changes in their botanical nomenclature and retypification of genera. Furthermore, based on new information recently published, the taxonomic limits of several new genera segregated from Acacia (Acaciella, Mariosousa, Senegalia, and Vachellia) and Prosopis (Neltuma and Strombocarpa) are clarified and included. Based on field work, collection of botanical samples over the past 30 years, and reviewing botanical materials in national and international herbaria, we have completed the diversity of legumes of the Mimosoideae clade of northeastern Mexico. Three tribes (Acacieae, Ingeae, and Mimosaeae), 22 genera, 92 species, and 19 infraspecific categories were recorded. Only the genus Painteria is endemic to Mexico. Eighty-eight species are native to Mexico, and four are exotic: Acacia salicina, Neptunia prostrata, Neltuma chilensis and Albizia lebbeck. Twenty-eight species are endemic to Mexico, nine species are endemic to northeastern Mexico, and four species are endemic to only one state in Mexico. The 22 registered genera represent 44% and 65% of the generic flora of the Mimosoideae clade for Mexico and the planet, respectively, while the 92 species registered represent 3% and 18% of the species of the clade Mimosoideae for the planet and Mexico, respectively. According to the new nomenclature of legumes, the number of genera in the Mimosoideae clade in northern Mexico has increased from 19 to 24.
Unveiling Molecular Signatures in Light-Induced Seed Germination: Insights from PIN3, PIN7, and AUX1 in Arabidopsis thaliana
Authors: Tognacca Rocío Soledad , Ljung Karin , Botto Javier Francisco
Published: January 2024

Light provides seeds with information that is essential for the adjustment of their germination to the conditions that are most favorable for the successful establishment of the future seedling. The promotion of germination depends mainly on environmental factors, like temperature and light, as well as internal factors associated with the hormonal balance between gibberellins (GA) and abscisic acid (ABA), although other hormones such as auxins may act secondarily. While transcriptomic studies of light-germinating Arabidopsis thaliana seeds suggest that auxins and auxin transporters are necessary, there are still no functional studies connecting the activity of the auxin transporters in light-induced seed germination. In this study, we investigated the roles of two auxin efflux carrier (PIN3 and PIN7) proteins and one auxin influx (AUX1) carrier protein during Arabidopsis thaliana seed germination. By using next-generation sequencing (RNAseq), gene expression analyses, hormonal sensitivity assays, and the quantification of indole-3-acetic acid (IAA) levels, we assessed the functional roles of PIN3, PIN7, and AUX1 during light-induced seed germination. We showed that auxin levels are increased 24 h after a red-pulse (Rp). Additionally, we evaluated the germination responses of pin3, pin7, and aux1 mutant seeds and showed that PIN3, PIN7, and AUX1 auxin carriers are important players in the regulation of seed germination. By using gene expression analysis in water, fluridone (F), and ABA+F treated seeds, we confirmed that Rp-induced seed germination is associated with auxin transport, and ABA controls the function of PIN3, PIN7, and AUX1 during this process. Overall, our results highlight the relevant and positive role of auxin transporters in germinating the seeds of Arabidopsis thaliana.
Characterization of a Unique Pair of Ferredoxin and Ferredoxin NADP+ Reductase Isoforms That Operates in Non-Photosynthetic Glandular Trichomes
Authors: Polito Joshua T. , Lange Iris , Barton Kaylie E. , Srividya Narayanan , Lange B. Markus
Published: January 2024

Our recent investigations indicated that isoforms of ferredoxin (Fd) and ferredoxin NADP+ reductase (FNR) play essential roles for the reductive steps of the 2C-methyl-D-erythritol 4-phosphate (MEP) pathway of terpenoid biosynthesis in peppermint glandular trichomes (GTs). Based on an analysis of several transcriptome data sets, we demonstrated the presence of transcripts for a leaf-type FNR (L-FNR), a leaf-type Fd (Fd I), a root-type FNR (R-FNR), and two root-type Fds (Fd II and Fd III) in several members of the mint family (Lamiaceae). The present study reports on the biochemical characterization of all Fd and FNR isoforms of peppermint (Mentha × piperita L.). The redox potentials of Fd and FNR isoforms were determined using photoreduction methods. Based on a diaphorase assay, peppermint R-FNR had a substantially higher specificity constant (kcat/Km) for NADPH than L-FNR. Similar results were obtained with ferricyanide as an electron acceptor. When assayed for NADPH–cytochrome c reductase activity, the specificity constant with the Fd II and Fd III isoforms (when compared to Fd I) was slightly higher for L-FNR and substantially higher for R-FNR. Based on real-time quantitative PCR assays with samples representing various peppermint organs and cell types, the Fd II gene was expressed very highly in metabolically active GTs (but also present at lower levels in roots), whereas Fd III was expressed at low levels in both roots and GTs. Our data provide evidence that high transcript levels of Fd II, and not differences in the biochemical properties of the encoded enzyme when compared to those of Fd III, are likely to support the formation of copious amounts of monoterpene via the MEP pathway in peppermint GTs. This work has laid the foundation for follow-up studies to further investigate the roles of a unique R-FNR–Fd II pair in non-photosynthetic GTs of the Lamiaceae.
Water, Ideology, and Kingship at the Ancient Burmese Capital of Bagan, Myanmar: An Iconographic Analysis of the Nat Yekan Sacred Water Tank
Authors: Iannone Gyles , Rivera Raiza S. , Lin Saw Tun , Soe Nyein Chan
Published: January 2024

Bagan, the imperial capital of the Burmese Empire (11th–14th centuries CE), was situated in what is now known as Myanmar’s “dry zone”, Southeast Asia’s most arid region. This setting necessitated the development of a subtle, yet extensive rain-fed water management system that channeled water from the Tuyin mountain range in the southeast to the walled and moated royal city in the northwest. Nat Yekan tank, a rock-cut reservoir located on the western edge of the summit of the Thetso–Taung portion of the Tuyin range, played significant utilitarian and spiritual roles in collecting, sacralizing, and then channeling waters down into the vast Mya Kan reservoir, which, in turn, fed the water management system that redistributed this valuable resource across the Bagan plain. The iconographic elements carved into the stone walls of the Nat Yekan tank attest to its spiritual importance and tie it to an ideological program of kingly legitimacy grounded in guarantees of fertility and prosperity for all.
Multilingualism and Interculture in the Repertoire Proposed in Hymnals from 2000 to Today: A Study on Italian Protestant Churches
Authors: Annarilli Alberto
Published: January 2024

In the last twenty years the Baptist, Methodist, and Waldensian churches in Italy have experienced an important season of migrations, mainly from South America, South-east Asia, and West Africa. This has led to a problem of sharing and mutual influence on the liturgical and musical levels for Italian churches that they had never experienced before. This article intends to study the editorial proposals of hymnbooks published by the Baptist, Methodist, and Waldensian churches in Italy. How many and which hymnals have been published from an intercultural point of view? Are the proposed repertoires transcultural? How many and which languages have been used in the publications? These three Protestant denominations have used different models for migrant churches. Another important aspect is the translation of the hymns: what language is used, and how certain words, images and theological ideas are made. The article, also using the methods of ethnographic field research, will be enriched by graphs which will show, for each denomination, which hymnographic repertoires were preferred and which vehicular languages were most used (and if this happened).