bluuebunny/crossref_metadata_2025_split huggingface dataset:
The effect of Cu(II) ion on antioxidant and DNA‐binding mechanism of baicalein and scutellarein: Spectroscopic, theoretical, and molecular docking study
Authors: Malček Šimunková Miriama , Štekláč Marek , Raptová Renáta , Gajdoš Peter , Čertík Milan , Malček Michal 
Published: February 2024

Flavonoids are a group of polyphenolic compounds known to possess good radical scavenging activity. It was also shown that their anti/prooxidant properties are strongly structure‐dependent and can be modified by metal ion binding. The structural parameters also appear to be key factors during their DNA‐binding abilities. This work deals with spectroscopic and theoretical studies of two flavonoids, baicalein and scutellarein, alone, and in the presence of redox‐active metal ion Cu(II). Cu(II) is the catalytic active ion in Fenton‐like reactions and can enhance the production of reactive oxygen species or, when bound to the flavonoid, influence its antioxidant potential. UV–Vis spectroscopy showed that the electronic properties of the parent flavonoids are changed following the CuCl2 addition. Job's plot method revealed the 1:1 binding mode of interaction in DMSO and DMSO/PBS solvent. The ABTS•+ assay showed only a negligible effect of Cu(II) presence on the antioxidant properties of baicalein and scutellarein. The mix of the natural reductant, glutathione, with flavonoids showed a synergistic effect in ABTS•+ inhibition; however, this effect was suppressed by the presence of Cu(II). Absorption titration and molecular docking studies showed an effective DNA binding of both flavonoids that is further enhanced by the presence of Cu(II). DFT calculations were carried out to identify the most energetically stable Cu(II)–flavonoid structures as well as to determine the ability of their hydroxyl groups to undergo homolytic or heterolytic cleavage.
Fabrication of bone tissue engineering scaffolds with a hierarchical structure using combination of 3D printing/gas foaming techniques
Authors: Aghaiee Soroush , Azdast Taher , Hasanzadeh Rezgar , Farhangpazhouh Farhad 
Published: February 2024

AbstractThe goal of this research was to study and optimize the structure and geometric features of scaffolds made using a combined method of 3D printing and gas foaming. This endeavor aimed to produce scaffolds with a hierarchical structure that closely resemble bone tissue. The study examined the effects of saturation pressure, foam temperature, and foam time on the scaffolds using response surface methodology (RSM). RSM is statistical technique used for optimizing and analyzing processes by modeling relationship between input variables and output responses. The results of multi‐objective optimization showed that highest pressure (55 MPa), the shortest time (40 s), and the temperature of 68°C were the optimal conditions. RSM was also used to develop mathematical models of structural properties, dimensional accuracy, and mechanical strength, focusing on different foam parameters, which could be used to predict desired properties. Subsequently, the designed scaffold underwent MTT assay testing to assess cell toxicity indicating its biocompatibility. The results demonstrate that by using the correct foam parameters in combination with 3D printing, it is possible to achieve polymer scaffolds with proportional dimensions, geometry, and mechanical strength suitable for cell growth to use inside the human body.
Self‐cleaning antireflected surfaces based on treated PEO/SiO2 nanocomposite films
Authors: Ahmad Ahmad A. , Al‐Bataineh Qais M. , Bani‐Salameh Areen A. , Al Omari Rima H. , Telfah Ahmad 
Published: February 2024

AbstractIn this study, the polyethylene oxide (PEO)/SiO2 nanoparticles (NPs) nanocomposite films with various SiO2 NPs concentrations were prepared using an in situ formation of NPs in the polymer matrix for self‐cleaning antireflected surface applications. The effect of SiO2 NPs in PEO/SiO2 NPs nanocomposite films on the structural, morphological, chemical, thermal, optical, and electrical properties of PEO/SiO2 NPs nanocomposite films was performed. According to the x‐ray diffraction and the differential scanning calorimetry analysis, the crystallinity degree of the nanocomposite films decreases by increasing the SiO2 NPs concentrations. The bandgap energy of PEO/SiO2 NPs nanocomposite films decreases from 3.95 to 3.55 eV as the SiO2 NPs concentration increases up to 10 wt.%. The average electrical conductivity of the PEO/SiO2 NPs nanocomposite films increases from 5.1 × 10−7 to 2.0 × 10−6 S/cm as the SiO2 NPs concentration increases up to 10 wt.%. The refractive index decreases to 1.64 at 550 nm for the PEO/SiO2 NPs nanocomposite films with 10 wt.% of SiO2 NPs, and the water contact angle decreases to around 0° after thermal treatment, which confirms that the PEO/SiO2 NPs nanocomposite films can be used as self‐cleaning antireflected surfaces.
Enhancing flame retardancy and optical functionality in multifunctional devices through advanced design of phosphorus‐containing copoly(imide‐oxadiazole)s
Authors: Serbezeanu Diana , Homocianu Mihaela , Lisa Gabriela , Hamciuc Corneliu 
Published: February 2024

AbstractThe combination of flame retardance and optical functionality in phosphorus‐containing copoly(imide‐oxadiazole)s offers a remarkable opportunity for the development of advanced and multifunctional devices, including organic light‐emitting diodes, sensors, and photovoltaics. In this context, a series of phosphorus‐containing copoly(imide‐oxadiazole)s were synthesized through a polycondensation reaction. This involved an aromatic commercial dianhydride, 4,4′‐(4,4′‐isopropylidenediphenoxy)bis(phthalic anhydride), a diamine with phosphorus in the main and side chains, and various aromatic diamines with 1,3,4‐oxadiazole rings. To achieve this, a solution imidization method was employed, which effectively converted the poly(amic acid) intermediates into the corresponding polyimides with high efficiency. The chemical structure and thermal properties of the resulting polymers were investigated. All polymers exhibited high thermal stability. Moreover, the absorption bands observed in dichloromethane, N,N‐dimethylformamide, methanol, and N‐methyl‐2‐pyrrolidone exhibited weak intensities, appearing as shoulders, with maximum values around 270, 303, and 310 nm. In most solvents, the photoluminescence spectra of the polymers showed a single emission band. However, one of the polymers exhibited two emission bands due to pendant groups that disrupted the molecular structure. The fluorescence of these derivatives was influenced by the polarity and proticity of the solvents. Furthermore, they exhibited large Stokes shifts, indicating extended conjugation and the potential to maximize luminescence efficiency. Protonation and deprotonation of polyimides alter their optical properties. These findings provide insights for the design of materials with improved optical performance.
Microarchitecture of the penis bone (baculum) of a seal: A 3D morphometric examination using synchrotron and laboratory micro‐computed tomography
Authors: Hande Shreya S. , Andronowski Janna M. , Miller Edward H. 
Published: February 2024

AbstractWe examined the ultrastructure of the mammalian os penis at the high‐resolution synchrotron level. Previously, bacular microanatomy had only been investigated histologically. We studied the baculum of the harp seal (Pagophilus groenlandicus), in which the baculum varies more in size and shape than does a mechanically constrained bone (humerus). We (1) investigated the microarchitecture of bacula and humeri from the same seal specimens, and (2) described changes in bone micro‐ and macro‐morphology associated with age (n = 15, age range = 1–35 years) and bone type. We analyzed cross‐sectional geometry non‐destructively through laboratory micro‐computed tomography. We suggest that the midshaft may resist axial compression while the proximal region may resist torsion, based on measurements of cross‐sectional and cortical areas, perimeter, ratio of maximum and minimum moments of inertia, and polar moment of inertia. In addition, midshaft bacula may be less mechanosensitive than humeri, based on microstructural variables (e.g., volume, surface area, diameter associated with lacunae and cortical porosity) analyzed across age groupings. Our findings related to the microarchitecture of the pinniped baculum provide a basis for further studies on development, mechanical properties, functions, and adaptations in this and other pinniped species. Our use of a multi‐modal imaging approach was minimally destructive for reproducible and accurate comparison of three‐dimensional bone ultrastructure. Such methods, coupled with multidisciplinary analyses, enable diverse studies of bone biology, life history, and evolution using museum collections.
Multipathway regulation induced by 4‐(phenylsulfonyl)morpholine derivatives against triple‐negative breast cancer
Authors: Yang Fan‐Wei , Mai Te‐Lun , Lin Ying‐Chung Jimmy , Chen Yu‐Chen , Kuo Shang‐Che , Lin Chia‐Ming , Lee Meng‐Hsuan , Su Jung‐Chen 
Published: February 2024

AbstractPhenotypic drug discovery (PDD) is an effective drug discovery approach by observation of therapeutic effects on disease phenotypes, especially in complex disease systems. Triple‐negative breast cancer (TNBC) is composed of several complex disease features, including high tumor heterogeneity, high invasive and metastatic potential, and a lack of effective therapeutic targets. Therefore, identifying effective and novel agents through PDD is a current trend in TNBC drug development. In this study, 23 novel small molecules were synthesized using 4‐(phenylsulfonyl)morpholine as a pharmacophore. Among these derivatives, GL24 (4m) exhibited the lowest half‐maximal inhibitory concentration value (0.90 µM) in MDA‐MB‐231 cells. To investigate the tumor‐suppressive mechanisms of GL24, transcriptomic analyses were used to detect the perturbation for gene expression upon GL24 treatment. Followed by gene ontology (GO) analysis, gene set enrichment analysis (GSEA), and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis, multiple ER stress‐dependent tumor suppressive signals were identified, such as unfolded protein response (UPR), p53 pathway, G2/M checkpoint, and E2F targets. Most of the identified pathways triggered by GL24 eventually led to cell‐cycle arrest and then to apoptosis. In summary, we developed a novel 4‐(phenylsulfonyl)morpholine derivative GL24 with a strong potential for inhibiting TNBC cell growth through ER stress‐dependent tumor suppressive signals.
Dual COX‐2 and 15‐LOX inhibition study of novel 4‐arylidine‐2‐mercapto‐1‐phenyl‐1H‐imidazolidin‐5(4H)‐ones: Design, synthesis, docking, and anti‐inflammatory activity
Authors: Osman Nermine A. , Soltan Mostafa K. , Rezq Samar , Flaherty Joseph , Romero Damian G. , Abdelkhalek Ahmed S. 
Published: February 2024

AbstractNovel arylidene‐5(4H)‐imidazolone derivatives 4a–r were designed and evaluated as multidrug‐directed ligands, that is, inflammatory, proinflammatory mediators, and reactive oxygen species (ROS) inhibitors. All of the tested compounds showed cyclooxygenase (COX)‐1 inhibitory effect more than celecoxib and less than indomethacin and also demonstrated an improved inhibitory activity against 15‐lipoxygenase (15‐LOX). Compounds 4f, 4l, and 4p exhibited COX‐2 selectivity comparable to that of celecoxib, while 4k was the most selective COX‐2 inhibitor. Interestingly, the screened results showed that compound 4k exhibited a superior inhibition effect against 15‐LOX and was found to be the most selective COX‐2 inhibitor over celecoxib, whereas compound 4f showed promising COX‐2 and 15‐LOX inhibitory activities besides its inhibitory effect against ROS production and its lowering effect of both tumor necrosis factor‐α and interleukin‐6 levels by ∼80%. Moreover, compound 4f attenuated the lipopolysaccharide‐mediated increase in NF‐κB activation in RAW 264.7 macrophages. The preferred binding affinity of these molecules was confirmed by docking studies. We conclude that arylidene‐5(4H)‐imidazolone scaffolds provide promising hits for developing new synthons with anti‐inflammatory and antioxidant activities.
UHPLC‐ESI‐QTOF‐MS metabolite profiles of different extracts from Pelargonium endlicherianum parts and their biological properties based on network pharmacological approaches
Authors: Zengin Gokhan , Leyva‐Jiménez Francisco Javier , Fernández‐Ochoa Álvaro , Bouyahya Abdelhakim , Yildiztugay Evren , Carretero Antonio Segura , Mahomoodally Mohamad Fawzi , Ponniya Sathish Kumar M , Nilofar  , Koyuncu Ismail , Yüksekdağ Özgür , Cádiz‐Gurrea María de la Luz 
Published: February 2024

AbstractIn the present study, we aimed to investigate the chemical profiles and biological activities of different extracts (ethyl acetate, dichloromethane, ethanol, and water) of Pelargonium endlicherianum parts (aerial parts and roots). Free radical scavenging, reducing power, phosphomolybdenum, and metal chelating were assayed for antioxidant properties. To detect enzyme inhibitory properties, cholinesterase, amylase, glucosidase, and tyrosinase were chosen as target enzymes. The ethanol extract of the aerial parts contained higher amounts of total bioactive compounds (120.53 mg GAE/g‐24.46 mg RE/g). The ethanol and water extracts of these parts were tentatively characterized by UHPLC‐ESI‐QTOF‐MS and 95 compounds were annotated. In addition, the highest acetylcholiesterase (3.74 mg GALAE/g) and butyrylcholinesterase (3.92 mg GALAE/g) abilities were observed by the ethanol extract of roots. The water extract from aerial parts exhibited the most pronounced inhibitory effects on multiple cancer cell lines, especially A549 (IC50: 23.2 µg/mL) and HT‐29 (IC50: 27.43 µg/mL) cells. Using network pharmacology, P. endlicherianum compounds were studied against cancer, revealing well‐connected targets such as epidermal growth factor receptor (EGFR), phosphoinositide‐3‐kinase (PI3K), AKT, receptor tyrosine‐protein kinase erbB‐2, and growth factor receptor bound protein 2 (GRB2) with significant impact on cancer‐related pathways. The results could open a new path from natural treasure to functional applications with P. endlicherianum and highlight a new study on other uninvestigated Pelargonium species.
Construction of a Zero‐gap Flow‐Through Microfluidic Reactor with Porous RuO2‐IrO2@Pt Anode for Electrocatalytic Oxidation of Antibiotics in Water
Authors: Zhu Yunqing , Wang Huan , Li Bingqing , Wang Tian , Zhu Yunfu , Hou Jianing 
Published: February 2024

AbstractIn this study, a zero‐gap flow‐through microfluidic reactor was constructed for the degradation of tetracycline and norfloxacin in water using a porous Ti/RuO2‐IrO2@Pt electrode as the anode and porous titanium plate as the cathode. The operation parameters included electrolyte type, electrolyte concentration, current density, initial concentration of pollutants and pH, were investigated. The degradation efficiency and energy consumption were calculated and compared with traditional electrolyzer. In the zero‐gap flow‐through microfluidic reactor, 100 % of both tetracycline and norfloxacin can be decomposed in 15 min, and high mineralization rate were achieved under the optimized reaction condition. And the reaction was consistent with pseudo‐first‐order kinetics with k value of 0.492 cm−1 and 1.010 cm−1, for tetracycline and norfloxacin, respectively. In addition, the energy consumption was 28.33 kWh ⋅ kg−1 TC and 8.36 kWh ⋅ kg−1 NOR, for tetracycline and norfloxacin, respectively, which was much lower than that of traditional electrolyzer. The LC–MS results showed that tetracycline underwent a series of demethylation, dehydration and deamination reactions, and the norfloxacin went through ring opening reaction, decarboxylation and hydroxylation reaction, and finally both produced CO2 and H2O.
An alternative, versatile, high‐tolerance design of a modified Richter–Slevogt camera, using standard glasses
Authors: Gadey Nishant Neeraj 
Published: February 2024

AbstractPrime‐focus catadioptric astrographs have been used for a long time in various astronomical applications. The prime advantage offered by them is the capability to produce remarkably wide fields of view, and hence generate a huge amount of data in relatively less observation time. An emerging application of such wide‐field astrographs is in the form of telescope arrays. While this has been implemented mostly, using commercial refractive lenses, low‐cost catadioptric objectives can be used as an alternative for wide‐field or high‐contrast array applications. Commercial catadioptric systems are generally available as modifications of Schmidt and Maksutov systems, that too, mostly in the Cassegrain configuration. Here, we present a low‐cost alternative prime focus camera design of Richter–Slevogt configuration, which is in turn an extension of the Houghton correctors. The Richter–Slevogt design has the potential for a very high performance due to several degrees of freedom. The presented one is a 150 mm aperture, system, providing 3.5° (circular) diffraction‐limited FOV (strehl ), using only standard glasses, N‐BK7 and F2. We present the performance analysis, tolerance sensitivity, and statistical (Monte‐Carlo) analysis for this design. Potential applications of the system, other than as an array are also briefly discussed.
Patient‐centred pathology reporting improves patient experience and understanding of disease in prostate cancer care
Authors: Al Saffar Haidar , Thomson Alice , Tan Jo‐Lynn S. , Wang Qiwei , Birch Emma , Koschel Samantha , Medhurst Elizabeth , Jobson Dale , Ong Sean , Moon Daniel A. , Murphy Declan , Lawrentschuk Nathan 
Published: February 2024

AbstractIntroduction and ObjectivesPatient‐centred (PC) and holistic care improves patient satisfaction and health outcomes. We sought to investigate the benefit of utilising a PC pathology report in patients undergoing radical prostatectomy (RP) for prostate cancer (PCa). Our study aimed to evaluate and compare patient understanding of their PCa diagnosis after RP, upon receiving either a standard histopathology report or a personalised and PC report (PCR). Moreover, we evaluated knowledge retention at 4 weeks after the initial consultation.MethodsWe invited patients undergoing RP at three metropolitan Urology clinics to participate in our randomised controlled study. Patients were randomised to receive either a PCR or standard pathology report. Patient satisfaction questionnaires (Perceived Efficacy in Patient–Physician Interactions [PEPPI], Consultation and Relational Empathy [CARE] and Communication Assessment Tool [CAT]) and a knowledge test were conducted within 72 h of the initial appointment and again at 4 weeks. Accurate recollection of Gleason grade group (GGG) and extracapsular extension (ECE) were classified as ‘correct’. Baseline demographic data included age, education, marital and employment status, pre‐op prostate specific antigen (PSA) and clinical stage. Baseline data were tested for differences between groups using the Student's t test, chi‐squared test or Fisher's exact test depending on whether data were continuous, categorical or sparse. Comparison of correctly answered ‘knowledge’ questions was analysed using chi‐squared test. A significance level of p ≤ 0.05 was used.ResultsData from 62 patients were analysed (30 standard vs. 32 PCR). No significant differences in baseline demographics were found between groups. Both groups reported high levels of satisfaction with their healthcare experiences in all domains of patient–physician rapport, empathy and communication. There were no significant differences between groups in PEPPI (p = 0.68), CAT (p = 0.39) and CARE (p = 0.66) scores, at baseline and 4 weeks. Ninety‐three per cent of patients who received the PCR understood the report while 90% felt the report added to their understanding of their PCa. Regarding patient knowledge, the PCR group had significantly more correct answers on GGG and ECE as compared with the standard report group at baseline and 4 weeks (p < 0.001 and 0.001, respectively).ConclusionsOur findings demonstrate that PC pathology reports improve patient knowledge and understanding of their PCa that is retained for at least 4 weeks after initial receipt of results.
Utility of cystatin C and serum creatinine‐based glomerular filtration rate equations in predicting vancomycin clearance: A population pharmacokinetics analysis in elderly Chinese patients
Authors: Ling Jing , Yang Xuping , Dong Lulu , Jiang Yan , Zou Sulan , Hu Nan 
Published: February 2024

AbstractRenal function is an important factor affecting the pharmacokinetics of vancomycin. The renal function in elderly patients gradually decreases with age. An accurate estimated glomerular filtration rate (GFR) is essential in drug dosing. The study aimed to determine the most appropriate renal function estimation equations to describe vancomycin pharmacokinetics in elderly patients using population pharmacokinetic analysis. Data were obtained retrospectively from elderly patients aged ≥65 years who received vancomycin for infection from September 2016 to January 2022. Renal function was estimated using the Cockcroft‐Gault equation (CG), Modification of Diet in Renal Disease equation (MDRD), three Chronic Kidney Disease Epidemiology Collaboration equations (CKD‐EPIcys‐scr, CKD‐EPIscr, and CKD‐EPIcys) and two Berlin Initiative Study equations (BIS‐1 and BIS‐2). The CKD‐EPIcys‐scr and BIS‐2 equations were based on cystatin C (Cys C) and serum creatinine (Scr). The others were based on Cys C or Scr. A nonlinear mixed effects model (NONMEM) was used to develop the population pharmacokinetic model. A total of 471 serum concentrations from 313 elderly patients were used to develop the population pharmacokinetic model. Weight and GFR were identified as significant covariates affecting the pharmacokinetics of vancomycin. Cys C and Scr‐based GFR (CKD‐EPIcys‐scr and BIS‐2) yielded significant improvement performance compared with the other equations in model building. The interindividual variability of CL was reduced from 49.4% to 23.6% and 49.4% to 23.7% in CKD‐EPIcys‐scr and BIS‐2 based models, respectively. However, greater interindividual variabilities of CL (from 26.6% to 29.0%) were represented in the other five models which were based on either Cys C or Scr. The GFR estimated by EPIcys‐scr and BIS‐2 equations and vancomycin CL exhibited a good correlation (r = 0.834 and 0.833). In the external validation with 124 serum concentrations, the predictive performances of the CKD‐EPIcys‐scr and BIS‐2 based models (the mean relative prediction errors were less than 1%, the mean relative absolute prediction errors were about 23%) were also superior to the other five models (the mean relative prediction errors were about 2%, the mean relative absolute prediction errors were greater than 25%) which are based on either Cys C or Scr. In this study, we determined that the equation used to estimate GFR can affect the population pharmacokinetic model fitting result. Population pharmacokinetics model with CKD‐EPIcys‐scr or BIS‐2 can be used to optimize vancomycin dosage in elderly Chinese patients.