bluuebunny/crossref_metadata_2025_split huggingface dataset:
Parthenolide inhibits proliferation and invasion, promotes apoptosis, and reverts the cell–cell adhesion loss through downregulation of NF‐κB pathway TNF‐α‐activated in colorectal cancer cells
Authors: Gehren Adriana S. , de Souza Waldemir F. , Sousa‐Squiavinato Annie C. M. , Ramos Diego A. A. , Pires Bruno R. B. , Abdelhay Eliana S. F. W. , Morgado‐Diaz Jose A. 
Published: June 2023

AbstractThe activation of the nuclear factor‐κB (NF‐κB) pathway has been associated with the development and progression of colorectal cancer (CRC). Parthenolide (PTL), a well‐known inhibitor of the NF‐κB pathway, has emerged as an alternative treatment. However, whether PTL activity is tumor cell‐specific and dependent on the mutational background has not been defined. This study investigated the antitumor role of PTL after tumor necrosis factor‐α (TNF‐α) stimulation in various CRC cell lines with different mutational statuses of TP53. We observed that CRC cells displayed different patterns of basal p‐IκBα levels; PTL reduced cell viability according to p‐IκBα levels and p‐IκBα levels varied among the cell lines according to the time of TNF‐α stimulation. High concentrations of PTL reduced more effectively p‐IκBα levels than low doses of PTL. However, PTL increased total IκBα levels in Caco‐2 and HT‐29 cells. In addition, PTL treatment downregulated p‐p65 levels in HT‐29 and HCT‐116 cells stimulated by TNF‐α in a dose‐dependent manner. Moreover, PTL induced cell death via apoptosis and reduced the proliferation rate of TNF‐α‐treated HT‐29 cells. Finally, PTL downregulated the messenger RNA levels of interleukin‐1β, a downstream cytokine of NF‐κB, reverted the E‐cadherin‐mediated disorganization of cell–cell contacts, and decreased the invasion of HT‐29 cells. Together, these results suggest a differential antitumoral activity of PTL on CRC cells with different mutational statuses of TP53, modulating cell death, survival, and proliferation underlying the NF‐κB pathway TNF‐α‐induced. Therefore, PTL has emerged as a potential treatment for CRC in an inflammatory NF‐κB‐dependent manner.
Periprocedural myocardial infarction in patients undergoing complex versus noncomplex percutaneous coronary intervention
Authors: Piccolo Raffaele , Leone Attilio , Simonetti Fiorenzo , Avvedimento Marisa , Angellotti Domenico , Manzi Lina , Verde Nicola , Spaccarotella Carmen Anna Maria , Di Serafino Luigi , Cirillo Plinio , Gargiulo Giuseppe , Fortunato Giuliana , Franzone Anna , Esposito Giovanni 
Published: June 2023

AbstractBackgroundLimited data are available on the risk of periprocedural myocardial infarction (MI) in patients undergoing complex versus noncomplex percutaneous coronary intervention (PCI).MethodsWe assessed the risk of periprocedural MI according to the fourth Universal definition of myocardial infarction (UDMI) and several other criteria among patients undergoing elective PCI in a prospective, single‐center registry. Complex PCI included at least one of the following: 3 coronary vessels treated, ≥3 stents implanted, ≥3 lesions treated, bifurcation with 2 stents implanted, total stent length >60 mm, treatment of chronic total occlusion, and use of rotational atherectomy.ResultsBetween 2017 and 2021, we included 1010 patients with chronic coronary syndrome, of whom 226 underwent complex PCI (22.4%). The rate of periprocedural MI according to the fourth UDMI was significantly higher in complex compared to noncomplex PCI patients (26.5% vs. 14.5%, p < 0.001). Additionally, periprocedural MI was higher in the complex PCI group using SCAI (4% vs. 1.1%, p = 0.009), ARC‐2 (13.7% vs. 8.0%, p = 0.013), ISCHEMIA (5.8% vs. 1.7%, p = 0.002), and EXCEL criteria (4.9% vs. 2.0%, p = 0.032). SYNTAX periprocedural MI occurred at low rates in both groups (0.9% vs. 0.6%, p = 0.657). Complex PCI was an independent predictor of the fourth UDMI periprocedural MI (odds ratio [OR] 1.54, 95% confidence interval [CI]: 1.04–2.27, p = 0.031).ConclusionsIn patients with chronic coronary syndrome undergoing elective PCI, complex PCI is associated with a significantly higher risk of periprocedural MI using multiple definitions. These findings highlight the importance of considering upfront this risk in the planning of complex PCI procedures.
Syringomatous adenoma of the nipple: A case series and systematic review
Authors: Park Sean K. , Samat Sajjaad H. , Whitelock Courtney M. , Fortes Thais 
Published: June 2023

Key Clinical MessageSAN should be considered in the setting of nipple discharge or morphology changes with typical histological findings. There are limited published cases of SAN, and workup of this pathology is still not clear to date.AbstractSyringomatous adenoma of the nipple (SAN) is known to be a rare benign breast neoplasm. With a few cases documented in the literature, preoperatively diagnosing this tumor is a challenge, which often leads to invasive procedure such as mass excision with nipple removal. This study was aimed at presenting a case report of SAN and to conduct a review of published cases. Literature search was conducted through PubMed databases. Articles published from year 1983 to March of 2022 were included. Only histologically confirmed cases of SAN were included. The review was performed according to the PRISMA guidelines. Twenty‐eight cases, including the newly reported case, were included in the review after going through inclusion criteria. The mean age at diagnosis was 44 ± 16 years. 7% were male. The most common presentation was palpable mass. Preoperative biopsy was done for 9 cases, out of which 7 did not indicate typical histopathological characteristic of SAN. Most common treatment was wide local excision with nipple removal. Immunohistochemical staining of the resected tumor was performed in 16 cases postoperatively. 32.1% (9/28) utilized p63 in constellation with histologic findings. Five cases that utilized staining also used Estrogen Receptor (ER) marker, while three used progesterone receptor (PR) marker. SAN should be considered in the setting of nipple discharge or morphology changes with typical histological findings. There are limited published cases of SAN, and workup of this pathology is still not clear to date. The case presented here and our comprehensive literature review suggest that pathohistological findings of SAN can be heterogeneous. Clinicians would also benefit from recognizing these variances. Further research and reported cases are needed to confidently diagnose SAN, which may open doors for less aggressive surgical treatment or surveillance option for asymptomatic patients.
SN2 versus E2 Competition of Cyclic Ethers
Authors: Hansen Thomas , Vermeeren Pascal , Zijderveld Kim W. J. , Bickelhaupt F. Matthias , Hamlin Trevor A. 
Published: June 2023

AbstractWe have quantum chemically studied the influence of ring strain on the competition between the two mechanistically different SN2 and E2 pathways using a series of archetypal ethers as substrate in combination with a diverse set of Lewis bases (F−, Cl−, Br−, HO−, H3CO−, HS−, H3CS−), using relativistic density functional theory at ZORA‐OLYP/QZ4P. The ring strain in the substrate is systematically increased on going from a model acyclic ether to a 6‐ to 5‐ to 4‐ to 3‐membered ether ring. We have found that the activation energy of the SN2 pathway sharply decreases when the ring strain of the system is increased, thus on going from large to small cyclic ethers, the SN2 reactivity increases. In contrast, the activation energy of the E2 pathway generally rises along this same series, that is, from large to small cyclic ethers. The opposing reactivity trends induce a mechanistic switch in the preferred reaction pathway for strong Lewis bases from E2, for large cyclic substrates, to SN2, for small cyclic substrates. Weak Lewis bases are unable to overcome the higher intrinsic distortivity of the E2 pathway and, therefore, always favor the less distortive SN2 reaction.
The Oxidation of Oxygen and Sulfur‐Containing Heterocycles by Cytochrome P450 Enzymes
Authors: Podgorski Matthew N. , Keto Angus B. , Coleman Tom , Bruning John B. , De Voss James J. , Krenske Elizabeth H. , Bell Stephen G. 
Published: June 2023

AbstractThe cytochrome P450 (CYP) superfamily of monooxygenase enzymes play important roles in the metabolism of molecules which contain heterocyclic, aromatic functional groups. Here we study how oxygen‐ and sulfur‐containing heterocyclic groups interact with and are oxidized using the bacterial enzyme CYP199A4. This enzyme oxidized both 4‐(thiophen‐2‐yl)benzoic acid and 4‐(thiophen‐3‐yl)benzoic acid almost exclusively via sulfoxidation. The thiophene oxides produced were activated towards Diels‐Alder dimerization after sulfoxidation, forming dimeric metabolites. Despite X‐ray crystal structures demonstrating that the aromatic carbon atoms of the thiophene ring were located closer to the heme than the sulfur, sulfoxidation was still favoured with 4‐(thiophen‐3‐yl)benzoic acid. These results highlight a preference of this cytochrome P450 enzyme for sulfoxidation over aromatic hydroxylation. Calculations predict a strong preference for homodimerization of the enantiomers of the thiophene oxides and the formation of a single major product, in broad agreement with the experimental data. 4‐(Furan‐2‐yl)benzoic acid was oxidized to 4‐(4′‐hydroxybutanoyl)benzoic acid using a whole‐cell system. This reaction proceeded via a γ‐keto‐α,β‐unsaturated aldehyde species which could be trapped in vitro using semicarbazide to generate a pyridazine species. The combination of the enzyme structures, the biochemical data and theoretical calculations provides detailed insight into the formation of the metabolites formed from these heterocyclic compounds.
Cyaphide‐Azide 1,3‐Dipolar Cycloaddition Reactions: Scope and Applicability
Authors: Yang Eric S. , Mapp Alex , Taylor Andrew , Beer Paul D. , Goicoechea Jose M. 
Published: June 2023

AbstractSeveral examples of the cyaphide‐azide 1,3‐dipolar cycloaddition reaction to afford metallo‐triazaphospholes are reported. The gold(I) triazaphospholes Au(IDipp)(CPN3R) (IDipp=1,3‐bis(2,6‐diisopropylphenyl)imidazol‐2‐ylidene; R=tBu, Ad, Dipp), magnesium(II) triazaphospholes, {Mg(DippNacNac)(CPN3R)}2 (DippNacNac=CH{C(CH3)N(Dipp)}2, Dipp=2,6‐diisopropylphenyl; R=tBu, Bn), and germanium(II) triazaphosphole Ge(DippNacNac)‐(CPN3tBu) can be prepared straightforwardly, under mild conditions and in good yields, in a manner reminiscent of the classic alkyne‐azide click reaction (albeit without a catalyst). This reactivity can be extended to compounds with two azide functional groups such as 1,3‐diazidobenzene. It is shown that the resulting metallo‐triazaphospholes can be used as precursors to carbon‐functionalized species, including protio‐ and iodo‐triazaphospholes.
The Interaction Between Interface Morphology of Particles with Anisotropic Effect of Interface Kinetics in an Alloy Melt
Authors: Zheng Guanjie , Chen Mingwen , Yang Chunmei , Liu Nan 
Published: June 2023

AbstractThe conventional theory of crystal growth presents an irreversible outward increase of the crystal size through solute deposition on the nuclei; however, the asymptotic solution of the dynamics model of the particle reveals that the crystal growth undergoes a locally reversible inward growth process in the early stage of crystal growth. Immediately after nucleation, some parts of the interface first grow inward through solute rejection along certain crystal orientations from the interface of nucleation, while the other parts of the interface grow outward through solute deposition along other crystal orientations. Until the inward growth attains a certain distance, the interface grows outward along each crystal orientation. This growth behavior is attributed to the interaction between interface morphology of particles with the anisotropic effect of interface kinetics. Through a systematic variation of the anisotropy parameters, the particle exhibits a continuous transition from one growth morphology to other growth morphologies. During the morphological transition process, as initial concentration increases, the growth of the particle is inhibited in the preferred growth directions, whereas it is facilitated in other growth directions. As a result, the interface morphologies of the particle with different petal‐shaped morphologies in the early stage of crystal growth are formed.
Advances of Modified Lignin as Substitute to Develop Lignin‐Based Phenol‐Formaldehyde Resin Adhesives
Authors: Peng Zhenwen , Jiang Xiao , Si Chuanling , Joao Cárdenas‐Oscanoa Aldo , Huang Caoxing 
Published: June 2023

AbstractTraditionally, phenols used to prepare phenol‐formaldehyde (PF) resin adhesives are obtained from phenolic compounds and various chemicals, which are extracted from petroleum‐based raw materials. Lignin, a sustainable phenolic macromolecule in the cell wall of biomass with an aromatic ring and a phenolic hydroxyl group similar to those of phenol, can be an ideal substitute for phenol in PF resin adhesives. However, only a few lignin‐based adhesives are produced on a large scale in industry, mainly because of the low activity of lignin. Preparing lignin‐based PF resin adhesives with exceptional achievements by modifying lignin instead of phenol is an efficient method to improve the economic benefits and protect the environment. In this review, the latest progress in the preparation of PF resin adhesives via lignin modification, including chemical, physical, and biological modifications, is discussed. In addition, the advantages and disadvantages of different lignin modification methods for adhesives are compared and discussed, and future research directions for the synthesis of lignin‐based PF resin adhesives are proposed.
Merging and imputation of flow cytometry data: A critical assessment
Authors: Mocking T. R. , Duetz C. , van Kuijk B. J. , Westers T. M. , Cloos J. , Bachas C. 
Published: June 2023

AbstractAlthough most modern techniques and analysis methods in multiparameter flow cytometry (MFC) allow for increased dimensionality for the characterization and quantification of cell populations, most MFC applications depend on flow cytometers measuring relatively small (<16) numbers of parameters. When more markers than the available parameters need to be acquired, these are commonly distributed over multiple independent measurements that include a backbone of common markers. Several methods have been proposed to impute values for combinations of markers that were not measured simultaneously. These imputation methods are frequently used without proper validation and knowledge of their effects on data analysis. We evaluated the performance of existing imputation software (Infinicyt, CyTOFmerge, CytoBackBone, and cyCombine) in approximating known measured expression data in terms of similarity in visual appearance, cell expression, and gating in different datasets by splitting MFC samples into separate measurements with partially overlapping markers and re‐calculating missing marker expression. Out of the assessed packages, CyTOFmerge showed the most accurate approximation of the known expression in terms of similar expression values and concordance with manual gating, with a mean F‐score between 0.53 and 0.87 when retrieving cell populations in different datasets. Performance remained inadequate for all methods, with only limited similarity at the cell level. In conclusion, the use of imputed MFC data should take such limitations into account and include independent validation of results to justify conclusions.
E‐shaped patch with reactive impedance surface for high gain and broadband circularly polarized antenna
Authors: Srinivas Guthi , D Srikar 
Published: June 2023

SummaryA low‐profile circularly polarized (CP) antenna with high gain and broad bandwidth is aimed at 5‐GHz Wi‐Fi applications using a symmetrical E‐shaped patch. Initially, the radiating element is modeled as a symmetrical E‐shape. An array of 4 × 4 rectangular patches are arranged periodically to make up a reactive impedance surface (RIS) structure. Furthermore, the RIS structure is deployed in the middle of a symmetrical E‐shaped radiating patch and a perfect electric conductor (PEC) ground plane. As a result, the broadband CP is achieved with high gain. The above‐mentioned combinations have achieved a −10‐dB reflection coefficient bandwidth of 21.4% (4.92–6.1 GHz) and a 3‐dB axial ratio (AR) bandwidth of 15.5% (5.25–6.1 GHz), and the antenna has attained a gain of 7.45–7.53 dBic.
Control efforts of crown‐of‐thorns starfish outbreaks to limit future coral decline across the Great Barrier Reef
Authors: Castro‐Sanguino Carolina , Bozec Yves‐Marie , Condie Scott A. , Fletcher Cameron S. , Hock Karlo , Roelfsema Chris , Westcott David A. , Mumby Peter J. 
Published: June 2023

AbstractCrown‐of‐thorns starfish (CoTS) naturally occur on coral reefs throughout the Indo‐Pacific region. On Australia's Great Barrier Reef (GBR), outbreaks of CoTS populations are responsible for ecologically significant losses of corals, and while they have been documented for decades, they now undermine coral recovery from multiple stressors, especially anthropogenic warming. Culling interventions are currently the best approach to control CoTS outbreaks on the GBR, but assessing control effectiveness under multiple stressors is complicated. Using an ensemble of two reef community models simulating the temporal and spatial dynamics of CoTS and corals under future climate scenarios, we evaluate the present‐day and future effectiveness of the current implementation of the GBR CoTS Control Program. Specifically, we determine the culling effort needed (i.e., number of vessels) to achieve the maximum ecological benefits as predicted by the models under possible warming futures. Benefits were measured by comparing projections of coral cover and CoTS densities under scenarios of increasing control effort and baseline scenarios where no control was simulated. Projections of present‐day control efforts (five vessels) show that the number of individual reefs subject to CoTS outbreaks is reduced by 50%–65% annually, yielding a benefit of 5%–7% of healthy GBR coral area per decade, equivalent to gaining 104–150 km2 of live corals by 2035. A threefold increase in current control efforts is sufficient to reach more than 80% of the maximum coral benefits predicted by each model, but the future amount of effort required to control CoTS effectively depends on the intensity of warming and the early detection of CoTS outbreaks. While culling CoTS across the entire GBR is unfeasible, we provide a framework for maximizing ecosystem‐wide benefits of CoTS control and guide management decisions on the required culling effort needed to reduce CoTS outbreaks to levels that may ensure coral persistence in the face of future climate change impacts.
Activation of N−O σ Bonds with Transition Metals: A Versatile Platform for Organic Synthesis and C−N Bonds Formation**
Authors: Todorović Uroš , Martin Romero R. , Anthore‐Dalion Lucile 
Published: June 2023

AbstractN−O σ bonds containing compounds are versatile substrates for organic synthesis under transition metal catalysis. Their ability to react through both polar (oxidative addition, formation of metallanitrene, nucleophilic substitution) and radical pathways (single electron transfer, homolytic bond scission) have triggered the development of various synthetic methodologies, particularly toward synthesizing nitrogen‐containing compounds. In this review, we discuss the different modes of activation of N−O bonds in the presence of transition metal catalysts, emphasizing the experimental and computational mechanistic proofs in the literature to help to design new synthetic pathways toward the synthesis of C−N bonds.
Modular Synthesis of Phosphite and Phosphoramidite Ligands for Rh‐Catalyzed Hydroformylation
Authors: Li Changjiang , Li Zhaozhou , Tan Kunpeng , Liu Guodu 
Published: June 2023

AbstractRhodium‐catalyzed hydroformylation of olefins is an important method for synthesizing aldehydes, and it is worth noting that regioselectivity and enantioselectivity of the product controlled by ligand are the most commonly used strategies. The modular synthesis of phosphite and phosphoramidite ligands have significant advantages of simple synthesis and high catalytic activity, which was why these ligands have been widely used in hydroformylation reactions. Herein, we focus on the synthesis methods and design ideas of such ligands, as well as their application effects in hydroformylation reactions. This review aims to provide a reference for the design and synthesis of ligands in hydroformylation subsequently.
Electrochemical sensing of target cells based on a peptide/single‐strand DNA probe
Authors: Sugawara Kazuharu , Takeda Kenta , Kuramitz Hideki 
Published: June 2023

AbstractTo electrochemically measure human myeloid leukemia cells (K562 cells), we constructed a probe consisting of peptide/single‐strand (ss) DNA. Ac‐H6Y4C with an acetylated N‐terminal of peptide was used to enhance the probe to allow electrode responses that could detect target cells. A ss‐DNA was selected as the target cell recognition moiety. The probe exhibits properties that combine the functionalities of both DNA and peptides. The measurement principle is based on changes in the peak currents of the peptide moieties that are caused by interactions between the ss‐DNA and target cells. The peak currents were proportional to the concentration of K 562 cells that ranged from 10 to 2,000 cells/mL with a LOD of 3 cells/mL.
Carbon black supported manganese phthalocyanine: Efficient electrocatalyst for nitrogen reduction to ammonia
Authors: Adalder Ashadul , Waghela Santosh R. , Shelukar Sachin A. , Mukherjee Nilmadhab , Das Swati , Ghorai Uttam Kumar 
Published: June 2023

AbstractAmmonia (NH3) is regarded as a renewable energy source as well as an important molecule for agricultural applications. The energy‐intensive Haber‐Bosch method produces large amounts of CO2 gas during ammonia production. As an alternative, there has recently been much interest in the electrocatalytic production of NH3 via the electrochemical nitrogen reduction reaction (ENRR) process utilizing renewable energy under ambient condition. Herein, we report a conducting carbon–supported manganese phthalocyanine electrocatalyst as an efficient electrocatalyst for ENRR applications. The MnPc electrocatalyst exhibited the activity with an ammonia production rate of 61.8 μg h−1mg−1cat with Faradaic efficiency (FE) of 31.3% @–0.4 V vs. RHE, respectively, under ambient condition in 0.1 M HCl solution whereas MnPc/C electrocatalyst exhibited an enhanced the productivity with an ammonia yield rate of 127.7 μg h−1mg−1cat with FE of 35.3% @–0.4 V vs. RHE, respectively. The reliability of N origin in ammonia formation is demonstrated by 1H‐NMR experiments and multiple control analysis. These results open the way for the further study of carbon‐supported transition‐metal phthalocyanine compounds for electrochemical nitrogen fixation to NH3.