bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Aryl‐Functionalized Benzo[d,e]Benzo[4,5]İmidazo[2,1‐a]Isoquinolin‐7‐One Derivatives: DNA Intercalation Causing Cytotoxicity
Authors: Türkmen Gülşah , Çakır Sinem , Batıkan Kavukcu Serdar , Türkmen Hayati 
Published: May 2024

AbstractThis study focuses on the cytotoxic effect properties of 4‐aryl‐functionalized benzo[d,e]benzo[4,5]imidazo[2,1‐a]isoquinolin‐7‐one (4‐X−Ar−BBI). The electron‐withdrawing and electron‐donating substituents located at the para position of the phenyl ring attached to the heterocyclic structure have altered the pi electron density within the structure. This change in electron density has influenced the intercalation ability of the heterocyclic structure and has impacted the intensity of its interaction with DNA. The 4‐aryl‐benzo[d,e]benzo[4,5]imidazo[2,1‐a]isoquinolin‐7‐one derivatives (4‐X−Ar−BBI) were prepared via the Suzuki–Miyaura cross‐coupling reaction. The optimum reaction conditions were determined to be 70 °C for 5 hours using catalyst 1 and K2CO3, resulting in a yield of 96 % of 4‐H−Ar−BBI. Characterization of all compounds (4‐X−Ar−BBI) was performed using Fourier Transform Infrared spectroscopy, mass spectrometry, and 1H‐ and 19F‐NMR spectroscopies. The cytotoxic activities of the compounds (4‐X−Ar−BBI) were investigated against cancer cell lines, specifically HeLa (human cervix adenocarcinoma epithelial), PC3 (human prostate), and MCF‐7 (human breast). The stability of 4‐CN−Ar−BBI and the binding modes between 4‐CN−Ar−BBI and DNA were investigated via 1H‐NMR spectroscopy and UV‐Vis spectroscopy, respectively. 4‐CH3−3‐NO2−Ar−BBI exhibited the most potent cytotoxic activity against MCF‐7, and 4‐F−Ar−BBI showed the highest activity against HeLa, with IC50 values of 3.675 and 7.370 μM, respectively.
Exploring the Antiproliferative Potential of Morpholine‐Functionalized Aurones: Design, Synthesis, SAR, DFT, Hirshfeld Surface, 3D Energy Frameworks and Molecular Docking Analysis
Authors: Kumar Gourav , Saroha Bhavna , Kumari Bavita , Ghosh Sushmita , Nassare Vilas D. , Kumar Suresh 
Published: May 2024

AbstractIn quest of generating a diverse array of potential cytotoxic candidates through molecular hybridization approach, herein we have designed a library of forty‐one morpholine‐functionalized aurones 7(a–ao), each with a distinct substitution pattern. These aurones were obtained by reacting 6‐hydroxyaurones, with 4‐(2‐chloroethyl)morpholine hydrochloride, characterized by various spectroscopic techniques including single crystal XRD (7b) and in‐vitro screened for their antiproliferative potential against human gastric adenocarcinoma (AGS) cells. Most of the synthesized compounds have exhibited excellent cytotoxic results. Twenty analogs were found to have cytotoxic potential better than the reference drug Leucovorin and analog 7j emerged as the most potent with IC50=5.98 μM nearly one fifth to the standard drug Leucovorin (IC50=30.8 μM). This library, consisting of twenty three novel and eighteen reported morpholine‐functionalized aurones, bearing diverse substitution pattern, further helped in making a concrete structure‐activity relationship for antiproliferative potential. Additionally, in‐silico molecular docking, Hirshfeld surface analysis and two dimensional fingerprint plots were also studied to understand the molecular interactions and various structural aspects. Further computational investigations of these compounds were conducted using the DFT/B3LYP method, for the determination of HOMO and LUMO energy values as well as the calculation of chemical softness, hardness, electronegativity and electrophilic index etc.
A Combined Experimental, DFT and Molecular Dynamics Simulation Study of Binary Mixture of Ethylbenzene and Aniline
Authors: Fakhri Zahra , Soltanabadi Azim 
Published: May 2024

AbstractDensity and viscosity values of the binary mixture of ethylbenzene and aniline have been experimentally measured in different mole fractions at temperatures of 293.15 to 313.15 K and at an absolute pressure of 86.7 kPa. Based on the obtained experimental data, the excess molar volume and viscosity deviations have been reported, which can interpret the interactions in this mixture. The obtained data were fitted with the Redlich‐Kister equation. In addition, the viscosity results are discussed using the equation proposed by Gruenberg‐Nissan. After experimental studies, in order to investigate the interactions of these two components and their mixture, quantum mechanical calculations and molecular dynamics simulation have been used. In this way, the structures of the desired molecules have been optimized. Then Atoms in Molecules (AIM) and frontier molecular orbital (FMO) techniques have been used for a more detailed investigation. Finally, by plotting radial distribution functions (RDFs) obtained from molecular dynamics, these interactions have been investigated in a more comprehensive way. In addition, the simulated densities at 298.15 K have been reported. At the end, clear pictures of the interactions of molecules in mixtures were obtained by comparing the achievements of experimental measurements, quantum chemical and calculations MD simulation.
An Affordable and Efficient Graphite‐Coated Electrode for the Voltammetric Determination of Catechol
Authors: Stoytcheva Margarita , Velkova Zdravka , Gochev Velizar , Valdez Benjamin , Curiel Mario 
Published: May 2024

AbstractAn affordable and highly efficient graphite‐coated electrode was developed and applied in this work as a compelling alternative to other modified electrodes in catechol determination. Electrode modification involved a simple deposition process using a commercial graphite dispersion, Aquadag®Acheson. Morphological and electrochemical studies revealed the formation of a uniform layer with enhanced surface area and significant conductivity. Catechol quantification was successfully achieved in the linear concentration range extended up to 80 μmol L−1 with a detection limit of 0.5 μmol L−1 under optimized conditions (pH 7 and an accumulation time of 2 min). Spike‐and‐recovery experiments validated the accuracy of the determination. Unlike hydroquinone, structurally similar compounds such as phenol and resorcinol did not interfere with catechol analysis. The interference posed by hydroquinone was addressed by derivative treatment of the voltammograms allowing peaks resolution.
Extracellular Vesicle‐Contained Thrombospondin 1 Retards Age‐Related Degenerative Tendinopathy by Rejuvenating Tendon Stem/Progenitor Cell Senescence
Authors: Cai Zhuochang , Xin Zhiyi , Wang Haoyuan , Wang Chongyang , Liu Xudong 
Published: May 2024

AbstractAdvanced age is a major risk factor for age‐related degenerative tendinopathy. During aging, tendon stem/progenitor cell (TSPC) function declines owing to the transition from a normal quiescent state to a senescent state. Extracellular vesicles (EVs) from young stem cells are reported to possess anti‐aging functions. However, it remains unclear whether EVs from young TSPCs (TSPC‐EVs) can rejuvenate senescent TSPCs to delay age‐related degeneration. Here, this study finds that TSPC‐EVs can mitigate the aging phenotypes of senescent TSPCs and maintain their tenogenic capacity. In vitro studies reveal that TSPC‐EVs can reinstall autophagy in senescent TSPCs to alleviate cellular senescence, and that the re‐establishment of autophagy is mediated by the PI3K/AKT pathway. Mechanistically, this study finds that thrombospondin 1, a negative regulator of the PI3K/AKT pathway, is enriched in TSPC‐EVs and can be transported to senescent TSPCs. Moreover, in vivo studies show that the local delivery of TSPC‐EVs can rejuvenate senescent TSPCs and promote their tenogenic differentiation, thereby rescuing tendon regeneration in aged rats. Taken together, TSPC‐EVs as a novel cell‐free approach have promising therapeutic potential for aging‐related degenerative tendinopathy.
A 3.2 V Binary Layered Oxide Cathode for Potassium‐Ion Batteries
Authors: Jha Pawan Kumar , Parate Shubham Kumar , Sada Krishnakanth , Yoshii Kazuki , Masese Titus , Nukala Pavan , Sai Gautam Gopalakrishnan , Pralong Valérie , Fichtner Maximilian , Barpanda Prabeer 
Published: May 2024

AbstractPotassium‐ion batteries (KIBs) can offer high energy density, cyclability, and operational safety while being economical due to the natural abundance of potassium. Utilizing graphite as an anode, suitable cathodes can realize full cells. Searching for potential cathodes, this work introduces P3‐type K0.5Ni1/3Mn2/3O2 layered oxide as a potential candidate synthesized by a simple solid‐state method. The material works as a 3.2 V cathode combining Ni redox at high voltage and Mn redox at low voltage and exhibits highly reversible K+ ion (de)insertion at ambient and elevated (40–50 °C) temperatures. First‐principles calculations suggest the ground state in‐plane Mn–Ni ordering in the MO2 sheets is strongly correlated to the K‐content in the framework, leading to an interwoven and alternative row ordering of Ni–Mn in K0.5Ni1/3Mn2/3O2. Postmortem and electrochemical titration reveal the occurrence of a solid solution mechanism during K+ (de)insertion. The findings suggest that the Ni addition can effectively tune the electronic and structural properties of the cathode, leading to improved electrochemical performance. This work provides new insights in the quest to develop potential low‐cost Co‐free KIB cathodes for practical applications in stationary energy storage.
Coordination Engineering of Carbon Dots and Mn in Co‐Based Phosphides for Highly Efficient Seawater Splitting at Ampere‐Level Current Density
Authors: Fang Tingting , Yu Xin , Han Xingzhuo , Gao Juan , Ma Yurong 
Published: May 2024

AbstractDirect electrolysis of seawater to generate hydrogen is an attractive approach for storing renewable energy. However, direct seawater splitting suffers from low current density and limited operating stability, which severely hinders its industrialization. Herein, a promising strategy is reported to obtain a nano needle‐like array catalyst‐CDs‐Mn‐CoxP on nickel foam, in which the Mn─O─C bond tightly binds Mn, Carbon dots (CDs), and CoxP together. The coordination engineering of CDs and Mn not only effectively regulates the electronic structure of CoxP, but also endows the as‐prepared catalyst with selectivity and marked long‐term stability at ampere‐level current density. Low overpotentials of 208 and 447 mV are required to achieve 1000 mA cm−2 for hydrogen evolution reaction (HER) and Oxygen evolution reaction (OER) in simulated seawater, respectively. Cell potentials of 1.78 and 1.86 V are needed to reach 500 and 1000 mA cm−2 in alkaline seawater along with excellent durability for 350 h. DFT studies have verified that the introduction of Mn and CDs effectively shifts the d‐band center of Co‐3d toward higher energy, thereby strengthening the adsorption of intermediates and enhancing the catalytic activity. This study sheds light on the development of highly effective and stable catalysts for large‐scale seawater electrolysis.
Development of a Biodegradable Cassava Starch Biofilm based on a Combination of Plasticizers with Bio‐SiO2 Extracted from Sugarcane Leaves
Authors: Boonphayak Piyanan , Muenyong Nutradee , Chinchao Rattanaporn , Khansumled Sirikarn 
Published: May 2024

AbstractThis study prepares biodegradable biofilms for packaging applications from biomass to help reduce plastic waste while also adding value to biomass. Furthermore, the effects of plasticization with 30 wt% plasticizer (relative to the mass of cassava starch) by glycerol (G), sorbitol (S), and a mixture of glycerol and sorbitol (GS) plasticizers are investigated, and the effects of bio‐SiO2 particles extracted from sugarcane leave via the sol–gel method are evaluated in terms of the mechanical and biodegradability properties of the cassava starch‐based biofilms. Biofilms used for packing applications must be insoluble and exhibit good elongation properties. In this context, the results indicate that the GS mixture produces a biofilm that exhibits these desirable properties. Thus, cassava starch‐based biofilms are prepared using GS and varying concentrations of the bio‐SiO2 particles (i.e., 0, 0.5, 1, and 1.5 wt%). The films containing bio‐SiO2 exhibit significantly lower water solubilities and moisture contents than the corresponding bio‐SiO2‐free films. Additionally, the inclusion of bio‐SiO2 particles increases the water resistance properties of the biofilms. Overall, the results suggest that cassava starch films prepared using a mixture of plasticizers and reinforced with bio‐SiO2 particles can be considered a safe material for application in biodegradable food packaging.
Exploring miR‐21 as a key regulator in two distinct approaches of bone marrow stromal cells differentiation into Schwann‐like cells
Authors: Liu Yu‐Mei , Wang He‐Ying , Wei Cai‐Hong , Li Jun‐Ping , Wang Ying , Ma Wen‐Zhi , Jia Hua 
Published: May 2024

AbstractThe differentiation of bone marrow stromal cells (BMSCs) into Schwann‐like cells (SCLCs) has the potential to promote the structural and functional restoration of injured axons. However, the optimal induction protocol and its underlying mechanisms remain unclear. This study aimed to compare the effectiveness of different induction protocols in promoting the differentiation of rat BMSCs into SCLCs and to explore their potential mechanisms. BMSCs were induced using two distinct methods: a composite factor induction approach (Protocol‐1) and a conditioned culture medium induction approach (Protocol‐2). The expression of Schwann cells (SCs) marker proteins and neurotrophic factors (NTFs) in the differentiated cells was assessed. Cell proliferation and apoptosis were also measured. During induction, changes in miR‐21 and Sprouty RTK signaling antagonist 2 (SPRY2) mRNA were analyzed. Following the transfection of BMSCs with miR‐21 agomir or miR‐21 antagomir, induction was carried out using both protocols, and the expression of SPRY2, ERK1/2, and SCs marker proteins was examined. The results revealed that NTFs expression was higher in Protocol‐1, whereas SCs marker proteins expression did not significantly differ between the two groups. Compared to Protocol‐1, Protocol‐2 exhibited enhanced cell proliferation and fewer apoptotic and necrotic cells. Both protocols showed a negative correlation between miR‐21 and SPRY2 expression throughout the induction stages. After induction, the miR‐21 agomir group exhibited reduced SPRY2 expression, increased ERK1/2 expression, and significantly elevated expression of SCs marker proteins. This study demonstrates that Protocol‐1 yields higher NTFs expression, whereas Protocol‐2 results in stronger SCLCs proliferation. Upregulating miR‐21 suppresses SPRY2 expression, activates the ERK1/2 signaling pathway, and promotes BMSC differentiation into SCLCs.
Examining the relationship between disciplinary counterspaces for undergraduate women and sense of belonging: A physics exemplar
Authors: Hazari Zahra , Rodriguez Idaykis 
Published: May 2024

AbstractFor students who face marginalization in a discipline, counterspaces are safe spaces of refuge that allow them to express their multiple identities and foster their sense of belonging. While prior qualitative work on counterspaces has highlighted how and why these spaces support marginalized students, there is little quantitative work that provides systemic evidence on broad counterspace initiatives formed to support students' disciplinary sense of belonging. In physics, a discipline that is deeply androcentric, two potential counterspaces have emerged for undergraduate women: the Conferences for Undergraduate Women in Physics (CUWiP) and Women in Physics Groups (WiPG). Drawing on survey data collected from undergraduate women in physics programs across the country who were registering for the 2018 CUWiP (N = 1388), we used structural equation modeling to test the effect of earlier participation in CUWiP and WiPG on students' current sense of belonging and interest in physics. We also tested the mediating effect of believing that there are serious gender issues in physics since these spaces have been found to increase students' consciousness of gender bias. The results revealed a significant positive direct effect of CUWiP and WiPG on sense of belonging. A more complex story emerged for indirect effects where believing in serious gender issues can negatively affect sense of belonging if interest in physics is not positively reinforced. Overall, the findings clearly provide quantitative evidence that broad diversity conference and affinity group initiatives, such as CUWiP and WiPG, can act as counterspaces that bolster belonging for women in disciplines like physics where they are marginalized. However, activities in these spaces should also continue to foster students' unique disciplinary interests.
Renal candidiasis associated with papillary necrosis in a captive tiger (Panthera tigris)
Authors: Wilson Floyd D. , Baughman Brittany , Mauel Michael J. , Holifield Michael , Todd Donna , Pace Lanny 
Published: May 2024

AbstractA 14‐year‐old male tiger developed anorexia with elevated blood urea nitrogen and creatinine levels. The patient had a palpable abdominal mass and demonstrated neutrophilic leukocytosis and anaemia. Leukocytes, yeast and bacteria were present in the urine. The animal was non‐responsive to therapy and was subsequently euthanised. Extensive acute renal papillary necrosis (RPN) with pyelonephritis, chronic nephritis and polycystic renal disease were evident during gross and microscopic pathology examinations. The histologic occurrence of fungal spores and pseudohyphae morphologically consistent with Candida species were observed within the necrotic papillary regions of the kidney and within multiple foci of mild parakeratotic hyperkeratosis present in the gingiva and tongue. Candida albicans along with a slight growth of Escherichia coli were recovered from kidney cultures. Possible contributory factors for the renal candidiasis and associated RPN include predisposing oral candidiasis, polycystic renal disease, ischaemic nephrosclerosis, age‐associated or other forms of immunodeficiency and therapy with meloxicam, a non‐steroidal anti‐inflammatory drug. The absence of apparent lower urinary tract involvement coupled with the presence of intravascular renal ‘Candida emboli’ suggest that chronic oral candidiasis was the probable source of the kidney infection.
Optimizing stoma closure: A laparoscopic technique yielding the least contamination
Authors: Jong Bor‐Kang , Chern Yih‐Jong , You Jeng‐Fu 
Published: May 2024

AbstractIn this study, we introduce a novel method for stoma closure, aiming to reduce wound infection rates. This method involves creating the common channel of both limbs of a loop stoma extracorporeally, which is particularly beneficial during laparoscopic stoma closure surgery by potentially avoiding contamination of the wound. We applied this technique in 23 patients undergoing laparoscopic stoma reversal surgery, comprising both loop colostomy and ileostomy cases. Notably, postoperative outcomes were promising: only two patients experienced postoperative ileus, and importantly, there were no instances of wound infection. These findings suggest that our laparoscopic stoma reversal surgery approach is not only safe and feasible but also offers a significant advantage in reducing wound infection rates.
Immunohistochemical inflammation in histologically normal gallbladders containing gallstones
Authors: Psaltis Emmanouil , Zaitoun Abed M. , Neal Keith R. , Lobo Dileep N. 
Published: May 2024

AbstractBackgroundThe aim of this study was to establish features of inflammation in histologically normal gallbladders with gallstones and compare the expression of inflammatory markers in acutely and chronically inflamed gallbladders.MethodsImmunohistochemistry was performed on formalin‐fixed paraffin‐embedded gallbladders for tumor necrosis factor (TNF)‐α, interleukin (IL)‐6, IL‐2R, and substance p in three groups: Group I (n = 60) chronic cholecystitis, Group II (n = 57) acute cholecystitis and Group III (n = 45) histologically normal gallbladders with gallstones. Expression was quantified using the H‐scoring system.ResultsMedian, interquartile range expression of mucosal IL‐2R in Groups I (2.65, 0.87–7.97) and II (12.30, 6.15–25.55) was significantly increased compared with group III (0.40, 0.10–1.35, p < 0.05). Submucosal IL‐2R expression in Groups I (2.0, 1.12–4.95) and II (10.0, 5.95–14.30) was also significantly increased compared with Group III (0.50, 0.15–1.05, p < 0.05). There was no difference in the lymphoid cell IL‐6 expression between Groups I (5.95, 1.60–18.15), II (6.10, 1.1–36.15) and III (8.30, 2.60–26.35, p > 0.05). Epithelial IL‐6 expression of Group III (8.3, 2.6–26.3) was significantly increased compared with group I (0.5, 0–10.2, p < 0.05) as was epithelial TNF‐α expression in Group III (85.0, 70.50–92.0) compared with Groups I (72.50, 45.25.0–85.50, p < 0.05) and II (61.0, 30.0–92.0, p < 0.05). Lymphoid cell Substance P expression in Groups I (1.90, 1.32–2.65) and II (5.62, 2.50–20.8) was significantly increased compared with Group III (1.0,1.0–1.30, p < 0.05). Epithelial cell expression of Substance P in Group III (121.7, 94.6–167.8) was significantly increased compared with Groups I (75.7, 50.6–105.3, p < 0.05) and II (78.9, 43.5–118.5, p < 0.05).ConclusionHistologically normal gallbladders with gallstones exhibited features of inflammation on immunohistochemistry.
Electromechanical coupling characteristics of multilayered piezoelectric quasicrystal plates in an elastic medium
Authors: Feng Xin , Zhang Liangliang , Li Yang , Gao Yang 
Published: May 2024

AbstractQuasicrystals (QCs) have attracted tremendous attention of researchers for their unusual properties. In this paper, an exact electric‐elastic solution of the simply supported and multilayered three‐dimensional (3D) cubic piezoelectric quasicrystal (PQC) nanoplate with the nonlocal effect is derived. Based on the basic elasticity equation of 3D QCs, we construct the linear eigenvalue system in terms of the pseudo‐Stroh formalism, from which the general solutions of the extended displacements and stresses in any homogeneous layer can be obtained. The two‐parameter foundation model is utilized to simulate the interaction between the nanoplate and elastic medium. The propagator matrices are employed to connect the field variables at the upper interface to those at the lower interface of each layer. Based on the boundary conditions of the upper and lower surfaces of the laminate and foundation model, the solutions are employed to derive from the global propagator matrix. Compared with the conventional propagator matrix method, a new propagator method is reestablished to deal with numerical instabilities of the case of large aspect ratio and high‐order frequencies for QC laminates. Finally, typical numerical examples are presented to illustrate the influence of nonlocal parameters and elastic medium coefficients on phonon, phason, and electric variables of 3D PQC nanoplates.