bluuebunny/crossref_metadata_2025_split huggingface dataset:
Urolithin A affects cellular migration and modulates matrix metalloproteinase expression in colorectal cancer cells
Authors: El‐Wetidy Mohammad S. , Rady Mohamad I. , Rady Islam , Helal Hamed 
Published: April 2024

AbstractColorectal cancer (CRC) is the world's second most common gastrointestinal malignancy. Preventing tumor cell proliferation and dissemination is critical for patient survival. Polyphenols have a variety of health advantages and can help prevent cancer. The current study examined different cellular activities of the gut‐microbiota metabolite urolithin A (UA) on several colon cancer cell lines. The results revealed that UA suppressed cell growth in a dose‐ and time‐dependent manner. In the current investigation, UA substantially affected cell migration in the wound‐healing experiment and greatly decreased the number of colonies generated in each CRC cell culture. UA decreased cellular migration in CRC cells 48 h after treatment, which was significant (p < .001) compared to the migration rate in untreated cells. When compared to untreated cells, UA slowed the process of colony formation by reducing the number of colonies or altering their morphological shape. The western blot analysis investigation revealed that UA inhibits cellular metastasis by lowering the expression levels of matrix metalloproteinases 1 and 2 (MMP1 and MMP2) by more than 43% and 41% (p < .001) in HT29, 28% and 149% (p < .001) in SW480, and 90% and 74% (p < .001) in SW620, respectively, at a 100 µM dosage of UA compared to the control. Surprisingly, at a 100 µM dosage of UA, the expression levels of the tissue inhibitor of metalloproteinases 1 (TIMP1) were elevated in HT29, SW480, and SW620 cells treated with 100 µM of UA by more than 89%, 57%, and 29%, respectively. Our findings imply that UA has anticancer properties and might be used therapeutically to treat CRC. The findings provided the first indication of the influence of UA on cellular migration and metastasis in colon cancer cells. All of these data showed that UA might be used as an adjuvant therapy in the treatment of various forms of CRC.
Application of Sublimation in the Synthesis and Crystal Growth of Organosulfones
Authors: Alaa Eldin Refat Lamis , Karpinska Jolanta , Konda Saidulu , Simmie John M. , Murphy Paul V. , McArdle Patrick , Erxleben Andrea 
Published: April 2024

AbstractThe solvent‐free elimination of sulfinic acid and aromatization of 1,6‐trans‐substituted bis(arylsulfone) trienes is reported. It is shown that sublimation can be used as a ‘green’ method to combine the thermal transformation of six trienes and the crystal growth of the resulting 4‐(phenylsulfonyl)biphenyls. When the sublimation conditions are carefully controlled, high quality single crystals of the 4‐(phenylsulfonyl)biphenyls are obtained. Theoretical modelling of the reaction using the simplified triene Ph‐(CH)6‐SO2H showed that the cyclization is energetically feasible and that the complete conversion is possible during the timescale of the sublimation. At temperatures slightly higher than the optimum sublimation temperature two of the trienes transformed into 1,4‐cyclohexadienes that did not eliminate phenylsulfinic acid. A reaction mechanism involving a 1,3‐hydrogen shift induced by free PhS• radicals is proposed for the formation of the 1,4‐cyclohexadienes.
Conformational and Electronic Variations in 1,2‐ and 1,5a‐Cyclophellitols and their Impact on Retaining α‐Glucosidase Inhibition
Authors: Ofman Tim P. , Heming Jurriaan J. A. , Nin‐Hill Alba , Küllmer Florian , Moran Elisha , Bennett Megan , Steneker Roy , Klein Anne‐Mei , Ruijgrok Gijs , Kok Ken , Armstrong Zach W. B. , Aerts Johannes M. F. G. , van der Marel Gijsbert A. , Rovira Carme , Davies Gideon J. , Artola Marta , Codée Jeroen D. C. , Overkleeft Herman S. 
Published: April 2024

AbstractGlycoside hydrolases (glycosidases) take part in myriad biological processes and are important therapeutic targets. Competitive and mechanism‐based inhibitors are useful tools to dissect their biological role and comprise a good starting point for drug discovery. The natural product, cyclophellitol, a mechanism‐based, covalent and irreversible retaining β‐glucosidase inhibitor has inspired the design of diverse α‐ and β‐glycosidase inhibitor and activity‐based probe scaffolds. Here, we sought to deepen our understanding of the structural and functional requirements of cyclophellitol‐type compounds for effective human α‐glucosidase inhibition. We synthesized a comprehensive set of α‐configured 1,2‐ and 1,5a‐cyclophellitol analogues bearing a variety of electrophilic traps. The inhibitory potency of these compounds was assessed towards both lysosomal and ER retaining α‐glucosidases. These studies revealed the 1,5a‐cyclophellitols to be the most potent retaining α‐glucosidase inhibitors, with the nature of the electrophile determining inhibitory mode of action (covalent or non‐covalent). DFT calculations support the ability of the 1,5a‐cyclophellitols, but not the 1,2‐congeners, to adopt conformations that mimic either the Michaelis complex or transition state of α‐glucosidases.
Azophosphines: Synthesis, Structure and Coordination Chemistry
Authors: Jordan Emma J. , Calder Ethan D. E. , Adcock Holly V. , Male Louise , Nieger Martin , Slootweg J. Chris , Jupp Andrew R. 
Published: April 2024

AbstractThe conceptual replacement of nitrogen with phosphorus in common organic functional groups unlocks new properties and reactivity. The phosphorus‐containing analogues of triazenes are underexplored but offer great potential as flexible and small bite‐angle ligands. This manuscript explores the synthesis and characterisation of a family of air‐stable azophosphine‐borane complexes, and their subsequent deprotection to the free azophosphines. These compounds are structurally characterised, both experimentally and computationally, and highlight the availability of the phosphorus lone pair for coordination. This is confirmed by demonstrating that neutral azophosphines can act as ligands in Ru complexes, and can coordinate as monodentate or bidentate ligands in a controlled manner, in contrast to their nitrogen analogues.
Versatile Ce(III)‐Terephthalic Acid@Au Metal Organic Frameworks for ROS Elimination and Photothermal Sterilization
Authors: Wang Jing , Wei Xue , Chen Jian , Zhang Jing , Guo Yanzhen , Xin Yongjuan 
Published: April 2024

AbstractNanozymes have been widely used for treating reactive oxygen species (ROS) caused diseases. However, the ROS‐dependent antibacterial property is inevitably damaged during the process of scavenging ROS, which is unfavorable for the treatment of diseases related to both ROS accumulation and bacterial infections. To address the issues, biomedical materials with both ROS‐elimination ability and ROS‐independent antibacterial capacity are fabricated via in situ depositing spherical Au nanoparticles (Au NPs) on rough surface of metal organic frameworks composed of Ce(III) and terephthalic acid (Ce‐BDC@Au MOFs). The synthesized Ce‐BDC@Au MOFs show multi‐enzymatic activities owing to the reversible conversion between Ce3+ and Ce4+, and can significantly scavenge ROS in cells. The deposition of spherical Au NPs on surface of Ce‐BDC MOFs causes Au NPs to come close proximity for forming plasmon resonance coupling, inducing the resonance wavelength of Au NPs red shifted to NIR region. Based on this, Ce‐BDC@Au MOFs show good photothermal conversion efficiency under NIR laser (808 nm) irradiation. Benefitting from rough surface and photothermal conversion ability, Ce‐BDC@Au MOFs have high antibacterial efficiency against staphylococcus aureus through both mechanically damaging and photothermal destruction. This strategy is biosafety and effectiveness for treating diseases related to both ROS accumulation and bacterial infections.
Effects of Quinidine or Rifampin Co‐administration on the Single‐Dose Pharmacokinetics and Safety of Rilzabrutinib (PRN1008) in Healthy Participants
Authors: Rask‐Madsen Christian , Katragadda Suresh , Li Mengyao , Ucpinar Sibel , Chinn Leslie , Arora Puneet , Smith Patrick 
Published: April 2024

AbstractThis open‐label, phase 1 study was conducted with healthy adult participants to evaluate the potential drug‐drug interaction between rilzabrutinib and quinidine (an inhibitor of P‐glycoprotein [P‐gp] and CYP2D6) or rifampin (an inducer of CYP3A and P‐gp). Plasma concentrations of rilzabrutinib were measured after a single oral dose of rilzabrutinib 400 mg administered on day 1 and again, following a wash‐out period, after co‐administration of rilzabrutinib and quinidine or rifampin. Specifically, quinidine was given at a dose of 300 mg every 8 hours for 5 days from day 7 to day 11 (N = 16) while rifampin was given as 600 mg once daily for 11 days from day 7 to day 17 (N = 16) with rilzabrutinib given in the morning of day 10 (during quinidine dosing) or day 16 (during rifampin dosing). Quinidine had no significant effect on rilzabrutinib pharmacokinetics. Rifampin decreased rilzabrutinib exposure (the geometric mean of Cmax and AUC0‐∞ decreased by 80.5% and 79.5%, respectively). Single oral doses of rilzabrutinib, with or without quinidine or rifampin, appeared to be well tolerated. These findings indicate that rilzabrutinib is a substrate for CYP3A but not a substrate for P‐gp.
Two‐Dimensional Sc2CCl2/XSe2(X=Mo, Pt) van der Waals Heterojunctions: Promising Photocatalytic Hydrogen Evolution Materials
Authors: Zeng Qionghui , Xu Liang , Xiong S.X. , Zhang Ying , Cao Lei , Tao Ji , Li Zhengquan , Wang Ling‐Ling , Dong Kejun 
Published: April 2024

AbstractIn the field of photocatalysis, new heterojunction materials are increasingly explored to achieve efficient energy conversion and environmental catalysis under visible light and sunlight. This paper presents a study on two newly constructed two‐dimensional van der Waals heterojunctions, Sc2CCl2/MoSe2 and Sc2CCl2/PtSe2, using density‐functional theory. The study includes a systematic investigation of their geometrical structure, electronic properties, and optical properties. The results indicate that both heterojunctions are thermodynamically, kinetically, and mechanically stable. Additionally, Bader charge analysis reveals that both heterojunctions exhibit typical type II band properties. However, the band gap of the Sc2CCl2/MoSe2 heterojunction is only 1.18 eV, which is insufficient to completely cross the reduction and oxidation (REDOX) potential of 1.23 eV, whereas the band gap of Sc2CCl2/PtSe2 heterojunction is 1.49 eV, which is theoretically capable for water decomposition. The subsequent calculation of the Sc2CCl2/PtSe2 heterojunction demonstrate excellent hole carrier mobility and high efficiency light absorption in the visible light range, facilitating the separation of photogenerated electrons and holes. More importantly, Sc2CCl2/PtSe2 vdW type II heterojunction can achieve full water decomposition from pH 1 to pH 4, and its thermodynamic feasibility is confirmed by Gibbs free energy results. The aim of this study is to develop materials and analyses that will result in optoelectronic devices that are more efficient, stable, and sustainable.
How territoriality and sociality influence the habitat selection and movements of a large carnivore
Authors: Hansen K. Whitney , Ranc Nathan , Morgan John , Jordan Neil R. , McNutt J. Weldon , Wilson Alan , Wilmers Christopher C. 
Published: April 2024

AbstractWhile territoriality is one of the key mechanisms influencing carnivore space use, most studies quantify resource selection and movement in the absence of conspecific influence or territorial structure. Our analysis incorporated social information in a resource selection framework to investigate mechanisms of territoriality and intra‐specific competition on the habitat selection of a large, social carnivore. We fit integrated step selection functions to 3‐h GPS data from 12 collared African wild dog packs in the Okavango Delta and estimated selection coefficients using a conditional Poisson likelihood with random effects. Packs selected for their neighbors' 30‐day boundary (defined as their 95% kernel density estimate) and for their own 90‐day core (defined as their 50% kernel density estimate). Neighbors' 30‐day boundary had a greater influence on resource selection than any habitat feature. Habitat selection differed when they were within versus beyond their neighbors' 30‐day boundary. Pack size, pack tenure, pup presence, and seasonality all mediated how packs responded to neighbors' space use, and seasonal dynamics altered the strength of residency. While newly‐formed packs and packs with pups avoided their neighbors' boundary, older packs and those without pups selected for it. Packs also selected for the boundary of larger neighboring packs more strongly than that of smaller ones. Social structure within packs has implications for how they interact with conspecifics, and therefore how they are distributed across the landscape. Future research should continue to investigate how territorial processes are mediated by social dynamics and, in turn, how territorial structure mediates resource selection and movement. These results could inform the development of a human–wildlife conflict (HWC) mitigation tool by co‐opting the mechanisms of conspecific interactions to manage space use of endangered carnivores.
Aluminum Complexes Supported by Ph2P‐Functionalized Anilido‐Pyridine Ligand Platform: Synthesis, Structure and Evaluation as Frustrated Lewis Pairs
Authors: Chandramohan Kavin Raj Kumar , Abdalghani Issam , Roisnel Thierry , Kirillov Evgueni 
Published: April 2024

AbstractA simple direct condensation of 2,6‐bis(phenylamino)pyridine (1) and ClPPh2 under basic conditions allowed straightforward synthesis of the new multidentate Ph2P‐substituted anilido‐pyridine proligands 2 a and 2 b. Proligand 2 a was used in σ‐bond metathesis reactions with Me3Al affording either dinuclear product 3 a‐Al2 or mononuclear 4 a‐Al, depending on the reaction conditions. These complexes were authenticated by X‐ray crystallography, NMR spectroscopy and microanalysis. The analysis of the interaction between Me2Al and Ph2P fragments in 4 a‐Al was performed by structural and computational studies. The reactivity of 4 a‐Al was preliminary assessed in several representative reactions.
Synthesis of Asymmetric Variants in a Dinucleating Ligand Family and Application for Dinuclear Copper(II) Complexes
Authors: Siebe Lena , Butenuth Christoph , Köhler Antonia , Stammler Anja , Oldengott Jan , Bögge Hartmut , Glaser Thorsten 
Published: April 2024

AbstractWe developed a dinucleating ligand system with two identical tetradentate coordination compartments and varying terminal donors. Here, we report the synthesis of two differently asymmetric dinucleating ligands: the ligand selma (=4,7,10‐trimethyl‐1,1,10‐tris(2‐pyridylmethyl)‐1,4,7,10‐tetraazadecane) with one N3‐ and one N4‐ and the ligand susan
(=4,7‐dimethyl‐1,1‐bis(6‐methylpyridine‐2‐yl‐methyl)‐10,10‐bis(2‐pyridylmethyl)‐1,4,7,10‐tetraazadecane) with two different N4‐coordination compartments. The initial synthesis of the ligand selma based on extending dipicolylamine with 2‐(methylamino)ethyl units in repeated reductive aminations. Synthesis of 1‐trifluoroacetyl‐4,7‐dimethyl‐1,4,7,10‐tetraazadecane allowed the synthesis of both ligands selma and susan
. To study the influence of the terminal donors, the CuII chloride complexes of selma and susan
and the two symmetric susan and susan6−Me were synthesized. The introduction of the 6‐methyl substituents on the pyridines increases the bond lengths, reduces the electron donation, and shifts the reduction potentials anodically. The large 6‐methyl substituents enforce a meridional coordination of the dipicolylamine subunits, while it is mainly facial without the 6‐methyl substituents. Analysis of the solid‐state structures and the d‐d transitions in solution demonstrate a flat potential energy surface for the 5‐coordinate polyhedra. Analysis of d‐d transitions and reduction potentials indicate that the properties of the CuIICuII complexes are additive for but cooperative for selma reflecting the difference of these asymmetric dinucleating ligands.
Application of the Photo‐Fries Reaction as a Key Step in the Preparation of Valuable Aryloxyethyl Selenocyanates
Authors: Lucena Valentin , Hernán Szajnman Sergio , Bautista Rodriguez Juan , Mauricio Bonesi Sergio 
Published: April 2024

AbstractA multistep sequence leads to the preparation of a series of aryl selenocyanate WC‐9 homologues, which are interesting compounds with potential biological activity against Trypanosoma cruzi, the etiological agent of Chagas disease. The synthetic sequence involves the application of the photo‐Fries rearrangement reaction as a key step for the preparation of a series of 2‐hydroxyphenones bearing alkyl chains of different length and a phenyl group. These intermediates are obtained upon direct irradiation (254 nm) of 4‐phenoxyphenyl esters in different solvents at room temperature. Then, reaction of the 2‐hydroxyphenones with 2‐(2‐bromoethoxy)tetrahydro‐2H‐pyran followed by acid deprotection, tosylation (or mesylation) reaction and, finally, nucleophilic attack with potassium selenocyanate provides the target aryloxyethyl selenocyanate homologues in good yields.
Direct Introduction of an Acetyl Group at the α‐Carbon Atom of an Arene Ring through an Amide Photo‐Fries Rearrangement upon Exposure to UV Light
Authors: Kim Myeonggeuk , Na Ha‐Na , Shen Liu‐lan , Jeong Jin Hyun 
Published: April 2024

AbstractWe employed an amide photo‐Fries rearrangement for the synthesis benzoheterocyclic compounds and found that direct acylation of the α‐carbon atom in an arene ring can occur upon exposure to ultraviolet (UV) light. In this reaction, the N‐acetyl group of amides underwent rearrangement to the α‐position across the bridgehead carbon atom under UV−C light. The reaction conditions were gentle and safe. Moreover, this reaction proves to be more convenient for selectively manipulating benzoheterocyclic compounds in comparison to traditional approaches involving Lewis acid catalysts or anionic reagents.
Construction of an electrochemical platform with carbon nanotubes and aluminium doped zinc oxide nanoparticles for the sensitive determination of sunset yellow
Authors: Omar Abdullah Bikhtiyar , Teker Tuğçe , Aslanoglu Mehmet 
Published: April 2024

AbstractSunset yellow, a synthetic colorant and used to improve the texture and the appearance of food samples, can adversely affect humans. The development of a sensitive method to analyse food products for the accurate determination of sunset yellow is of importance for the level of risk to human health and thus food safety. The present study aimed to prepare a voltammetric method for the precise detection of sunset yellow content in a commonly consumed powdered beverage and pharmaceutical products. For this purpose, a sensitive method utilizing a voltammetric platform was constructed by modifying a glassy carbon electrode (GCE) with carbon nanotubes (MWCNTs) and aluminium doped zinc oxide (AZO). Cyclic voltammetry (CV) and electrochemical impedance spectroscopic (EIS) measurements indicated that the proposed voltammetric platform (GCE/MWCNTs/AZO) possessed high electro‐active surface area and lower value of charge transfer resistance (Rct) and therefore, could serve as a promising sensing material. The GCE/MWCNTs/AZO system improved voltammetric behaviour of sunset yellow at an accumulation time of 210 s and indicated good electrocatalytic activity due to high synergistic effect between MWCNTs and AZO nanoparticles. This method of analysis exhibited a dynamic working range from 4.0×10−9 to 7.5×10−6 M with a limit of detection (LOD) of 9.5×10−10 M for sunset yellow. The GCE/MWCNTs/AZO system was successfully utilized for the electroanalysis of beverages and pharmaceuticals for detection of sunset yellow. Voltammetric measurements indicate that the GCE/MWCNTs/AZO system enables good accuracy and high precision for the determination of sunset yellow.
Option pricing with dynamic conditional skewness
Authors: Liang Fang , Du Lingshan 
Published: April 2024

AbstractIn this paper, we develop a discrete‐time affine option‐pricing model that explicitly incorporates the dynamics of conditional skewness. The new proposed model features different dynamics for conditional skewness and variance. To stress the difference in information, we use alternative realized measures constructed from high‐frequency historical returns to update skewness and variance dynamics. By Fourier inversion, we derive closed‐form option valuation formulas. Empirically, the flexibility that the model offers for conditional skewness as well as high‐frequency information from the underlying asset contribute to superior performance upon benchmark models using S&P 500 index options. Overall, the joint modeling of dynamic conditional skewness and realized measures leads to an out‐of‐sample gain of 12.25% in pricing accuracy. The improvements are more pronounced for deep in‐the‐money calls, options with shorter maturities, and during highly volatile periods.
VIX option pricing through nonaffine GARCH dynamics and semianalytical formula
Authors: Liu Junting , Wang Qi , Zhang Yuanyuan 
Published: April 2024

AbstractThis paper develops analytical approximations for volatility index (VIX) option pricing under nonaffine generalized autoregressive conditional heteroskedasticity (GARCH) models as advocated by Christoffersen et al. We obtain the approximation formulae for pricing VIX options and then evaluate their performance with three expansions under four empirically well‐tested models. Our numerical experiments find that the weighted expansion generated by the fat‐tailed weighting kernel can significantly reduce approximation error over the Gram‐Charlier expansion; the Taylor expansion of conditional moments can lead to divergence for parameters with certain high persistence in the affine GARCH, nonlinear asymmetric GARCH, and Glosten‐Jagannathan‐Runkle GARCH models, while surviving during high persistence in the exponential GARCH.
Trading commodity ETFs: Price behavior, investment insights, and performance analysis
Authors: Hadad Elroi , Malhotra Davinder , Nippani Srinivas 
Published: April 2024

AbstractThis study analyzes the risk‐adjusted performance of commodity exchange‐traded funds (ETFs) across diverse market conditions. Examining monthly returns from December 2004 to June 2022, our findings suggest that commodity ETFs underperformed US stocks, indicating limited diversification benefits. However, we document positive α during turbulent market periods like the COVID‐19 crisis, signifying potential resilience. Furthermore, our factor regressions reveal that shifts in the global commodity price index and disposable personal income significantly influence commodity ETFs' excess returns, pointing to broader economic and income‐related trends. Commodity ETFs exhibit lower Value‐at‐Risk and Expected Shortfall compared to stock market indices, indicating reduced downside risk exposure for investors. Given the increasing popularity of commodity ETFs, these insights hold substantial significance for market participants.