bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Discovery of Novel Small Oxindole‐Based Inhibitors Targeting the SARS‐CoV‐2 Main Protease (Mpro)
Authors: Alzyoud Lara , Mahgoub Radwa E. , Mohamed Feda E. , Ali Bassam R. , Ferreira Juliana , Rabeh Wael M. , Atatreh Noor , Ghattas Mohammad A. 
Published: October 2023

AbstractWith the potential for coronaviruses to re‐emerge and trigger future pandemics, the urgent development of antiviral inhibitors against SARS‐CoV‐2 is essential. The Mpro enzyme is crucial for disease progression and the virus‘s life cycle. It possesses allosteric sites that can hinder its catalytic activity, with some of these sites located at or near the dimerization interface. Among them, sites #2 and #5 possess druggable pockets and are predicted to bind drug‐like molecules. Consequently, a commercially available ligand library containing ~7 million ligands was used to target site #2 via structure‐based virtual screening. After extensive filtering, docking, and post‐docking analyses, 53 compounds were chosen for biological testing. An oxindole derivative was identified as a Mpro non‐competitive reversible inhibitor with a Ki of 115 μM and an IC50 of 101.9 μM. Throughout the 200 ns‐long MD trajectories, our top hit has shown a very stable binding mode, forming several interactions with residues in sites #2 and #5. Moreover, derivatives of our top hit were acquired for biological testing to gain deeper insights into their structure‐activity relationship. To sum up, drug‐like allosteric inhibitors seem promising and can provide us with an additional weapon in our war against the recent pandemic, and possibly other coronaviruses‐caused diseases.
Abnormal origin of right pulmonary artery from the ascending aorta in an infant (“Hemitruncus”)
Authors: Tsoutsinos Alexandros , Germanakis Ioannis , Kanakis Meletios , Samanidis George , Despotopoulos Stefanos , Kousi Theofili , Katsilouli Spyridoula , Karapanagiotou Olga , Bobos Dimitrios 
Published: October 2023

Key Clinical MessageAnomalous origin of right pulmonary artery from the ascending aorta is a rare congenital malformation and it needs surgical management. Consequences of this condition affect lead to pulmonary hypertension and severe pulmonary vascular disease.AbstractAnomalous origin of right pulmonary artery from the ascending aorta is a rare congenital heart malformation that results in early infant mortality affecting the right pulmonary artery more than the left. These patients are at risk for the early development of significant pulmonary hypertension. The surgical management during the early period of life is imperative.
Cathodic Electrolysis: Electroreductive Organic Synthesis
Authors: K Bijaya B. , Lingden Chetan Prasad , Pokhrel Tamlal , Paudel Manisha , Sajid Kiran , Adhikari Achyut , Shirinfar Bahareh , Ahmed Nisar 
Published: October 2023

AbstractCathodic reductive electrolysis in organic transformations is used to generate radical anions. These electrochemical reduction reactions are very useful in various carbonyl groups transformation (such as aldehydes, ketones, esters, and amides), new bond formations as well as reduction of saturated and unsaturated molecules. Reductive electrocarboxylation reactions to access various valuable chemicals are one of the important applications of cathodic reductive electrolysis. Herein, we review particularly the electrochemical organic transformation reactions taking place at the cathode. We also discuss how alternative strategies such as paired electrolysis, photo‐electrolysis, and alternating current electrolysis can be used to overcome the limitations associated with cathodic electrolysis and how they will improve sustainable electrochemical transformations.
Isolated Dimers Versus Solid‐State Dimers of N‐Heteropolycycles: Matrix‐Isolation Spectroscopy in Concert with Quantum Chemistry
Authors: Germer Stefan , Bauer Marco , Hübner Olaf , Marten Ramona , Dreuw Andreas , Himmel Hans‐Jörg 
Published: October 2023

AbstractIn this work, matrix‐isolation spectroscopy and quantum‐chemical calculations are used together to analyse the structure and properties of weakly bound dimers of the two isomers benzo[a]acridine and benzo[c]acridine. Our measured experimental electronic absorbance spectra agree with simulated spectra calculated for the equilibrium structures of the dimers in gas‐phase, but in contrast, disagree with the simulated spectra calculated for the structures obtained by optimising the experimental solid‐state structures. This highlights the sensitivity of the electronic excitations with respect to the dimer structures. The comparison between the solid‐state and gas‐phase dimers shows how far the intermolecular interactions could change the geometric and electronic structure in a disordered bulk material or at device interfaces, imposing consequences for exciton and charge mobility and other material properties.
Regular Arrays of Rod‐Shaped Molecular Photoswitches: Synthesis, Preparation, Characterization, and Selective Photoswitching within Mono‐ and Bilayer Systems
Authors: Severa Lukáš , Santos Hurtado Carina , Rončević Igor , Mašát Milan , Bastien Guillaume , Štoček Jakub Radek , Dračínský Martin , Houska Václav , Kaletová Eva , Garza Danielle John , Císařová Ivana , Cimatu Katherine Leslee A. , Bastl Zdeněk , Kaleta Jiří 
Published: October 2023

AbstractWe assembled photoresponsive mono‐ and bilayer systems with well‐defined properties from rod‐shaped molecules equipped with different photoswitches. Using properly chosen chromophores (diarylethene‐based switch and unidirectional light‐driven molecular motor), we then selectively targeted layers made of the same types of photoswitches using appropriate monochromatic light. UV‐vis analysis confirmed smooth and unrestricted photoisomerization. To achieve this, we synthesized a new class of triptycene‐based molecular pedestals adept at forming sturdy Langmuir‐Blodgett films on a water‐air interface. The films were smoothly transferred to gold and quartz surfaces. Repeated deposition afforded bilayer systems: one layer containing diarylethene‐based photoswitches and the other a unidirectional light‐driven molecular motor. Structural analysis of both mono‐ and bilayer systems revealed the molecules to be tilted with carboxylic functions pointing to the surface. At least two different polymorphs differing in monolayer thickness and tilt angle (~40° and ~60°) were identified on the gold surface.
Association of the m6A reader IGF2BP3 with tumor progression and brain‐specific metastasis in breast cancer
Authors: Li Yang , Cao Jun , Wang Jianfeng , Wu Weidong , Jiang Liren , Sun Xing 
Published: October 2023

AbstractBackgroundThis study aimed to determine the role of insulin‐like growth factor 2 mRNA‐binding protein 3 (IGF2BP3), an N6‐methyladinosine reader, in the progression and distant metastasis of breast cancer.MethodsIGF2BP3 expression was assessed in 152 pairs of breast cancer and adjacent normal tissue (ANT) by real‐time quantitative polymerase chain reaction and in 561 cases of breast cancer and 163 cases of ANT by immunohistochemistry. Survival curves were estimated using the Kaplan–Meier method and then compared statistically using the log‐rank test. The prognostic role of IGF2BP3 was determined by Cox regression analysis.ResultsAnalysis of public gene data sets revealed that IGF2PB3 predicted distant metastasis in breast cancer and was highly correlated with brain metastasis. In the clinical retrospective cohort, the positive rate of IGF2BP3 increased gradually with breast cancer progression. Positive IGF2BP3 expression was related to poor distant metastasis‐free survival (DMFS, p = .030) and Cox regression analysis identified IGF2BP3 as an independent risk factor for DMFS (hazard ratio, 1.876; 95% confidence interval, 1.128–3.159; p = .019). Positive IGF2BP3 expression was markedly related to breast cancer brain metastasis (p = .011) but not to lung and bone metastasis. Moreover, patients with IGF2BP3‐positive brain metastasis had lower survival than patients with IGF2BP3‐negative brain metastasis (p = .041). Gene expression profiling results indicated that high IGF2BP3 expression was associated with the PD‐1 checkpoint pathway, HER2‐HER3 signaling, and epithelial–mesenchymal transition.ConclusionsIGF2BP3 may serve as a novel predictive biomarker and a potential therapeutic target for breast cancer brain metastasis, which warrants further investigation.Plain Language Summary

As an m6A reader, IGF2BP3 is dysregulated and implicated in various cancers but its role in breast cancer has not been fully clarified.
In this study, we found that IGF2BP3 was upregulated in breast cancer and IGF2BP3 expression increased gradually during breast cancer progression.
IGF2BP3 expression exerted no effect on the overall survival and breast cancer–specific survival of breast cancer patients; however, IGF2BP3‐positive patients were more likely to develop distant metastasis than IGF2BP3‐negative patients.
In addition, IGF2BP3 was associated with brain‐specific metastasis in breast cancer patients.
These findings warrant further investigation because they provide a rationale for novel predictive or therapeutic approaches.
Plasma extrachromosomal circular DNA is a pathophysiological hallmark of short‐term intensive insulin therapy for type 2 diabetes
Authors: Xu Zhe , He Junyu , Han Peng , Dai Peiji , Lv Wei , Liu Nian , Liu Liyi , Liu Liehua , Pan Xiaoguang , Xiang Xi , Li Hanbo , Ge Fangfang , Gao Shan , Liao Zhihong , Luo Yonglun , Li Yanbing 
Published: October 2023

AbstractBackgroundExtrachromosomal circular DNA (eccDNA) has emerged as a promising biomarker for disease diagnosis and prognosis prediction. However, its role in type 2 diabetes remains unexplored.ObjectiveTo investigate the characteristics and dynamics of circulating eccDNAs in newly diagnosed type 2 diabetes mellitus (T2DM) patients undergoing short‐term intensive insulin therapy (SIIT), a highly effective treatment for inducing long‐term glycemic remission.MethodsWe conducted Circle‐Seq analysis on plasma samples from 35 T2DM patients at three time points: pre‐SIIT, post‐SIIT, and 1‐year post‐SIIT. Our analysis encompassed the characterization of eccDNA features, including GC content, eccDNA length distribution, genomic distribution, and the genes in eccDNAs.ResultsFollowing SIIT, we observed an increase in plasma eccDNA load, suggesting metabolic alterations during therapy. Notably, a correlation was identified between eccDNA profiles and glycemia in T2DM, both quantitatively and genetically. Our analysis also revealed the frequent presence of metabolism‐related genes within T2DM plasma eccDNAs, some of which spanned gene exons and/or fractions.ConclusionThis study represents the first report of cell‐free eccDNA in T2DM and underscores a compelling association between cell‐free eccDNA and profound glycemic changes. These findings highlight the potential of eccDNAs as crucial players in the context of T2DM and glycemic control.
DNA metabarcoding assessment of Neotropical ichthyoplankton communities is marker‐dependent
Authors: Teixeira Daniel Fonseca , Hilário Heron Oliveira , Santos Gilmar Bastos , Carvalho Daniel Cardoso 
Published: October 2023

AbstractThe study of ichthyoplankton is paramount to understanding fish assemblages' reproductive dynamics. DNA metabarcoding has been applied as a rapid, cost‐effective, and accurate taxonomy tool, allowing the identification of multiple individuals simultaneously. However, there remain significant challenges when using DNA metabarcoding, such as molecular marker choice according to the taxonomic resolution and length of the fragment to be sequenced, primer bias, incomplete reference databases, and qualitative inference incongruences. Here, 30 ichthyoplankton pools collected from a Neotropical river were identified at a molecular level using DNA metabarcoding to compare the resolution, sensibility, specificity, and relative read abundance (RRA) recovery of three molecular markers: the standard COI fragment (650 pb, with each end analyzed individually) and two short 12S rRNA genes markers (≅200 bp – NeoFish and MiFish markers). The combined use of the three markers increased the genera detection rates by 25%–87.5%, allowing an increased taxonomic coverage and robust taxonomic identification of complex Neotropical ichthyoplankton communities. RRA is marker‐dependent, indicating caution is still needed while inferring species abundance based on DNA metabarcoding data when using PCR‐dependent protocols.
Application of microfluidic technologies in forensic analysis
Authors: Guo Yuxin , Zhang Xingru , Zhang Haoqing , Liu Yaoshun , Shi Jianfeng , Meng Haotian , Chen Xin , Lan Qiong , Zhu Bofeng 
Published: October 2023

AbstractThe application of microfluidic technology in forensic medicine has steadily expanded over the last two decades due to the favorable features of low cost, rapidity, high throughput, user‐friendliness, contamination‐free, and minimum sample and reagent consumption. In this context, bibliometric methods were adopted to visualize the literature information contained in the Science Citation Index Expanded from 1989 to 2022, focusing on the co‐occurrence analysis of forensic and microfluidic topics. A deep interpretation of the literature was conducted based on co‐occurrence results, in which microfluidic technologies and their applications in forensic medicine, particularly forensic genetics, were elaborated. The purpose of this review is to provide an impartial evaluation of the utilization of microfluidic technology in forensic medicine. Additionally, the challenges and future trends of implementing microfluidic technology in forensic genetics are also addressed.
Naringenin ameliorates collagen‐induced arthritis through activating AMPK‐mediated autophagy in macrophages
Authors: Zhang Wei , Zhang Yuan , Zhang Jianguang , Deng Chunbiao , Zhang Chao 
Published: October 2023

AbstractBackgroundNaringenin is widely recognized for its notable attributes, including anti‐inflammatory, anti‐cancer, and immunomodulatory activities. However, its specific implications for rheumatoid arthritis (RA) and the underlying mechanisms remain to be explored. This study aimed to investigate the therapeutic efficacy and pharmacological mechanism of Naringenin in the treatment of collagen‐induced arthritis (CIA).MethodsA CIA model was established in DBA/1 mice, and various doses of Naringenin were administered orally to assess its impact on RA. The study also involved lipopolysaccharides (LPS)‐induced RAW264.7 cells to further evaluate the effects of Naringenin. Mechanistic studies were conducted to elucidate the signaling pathways involved in Naringenin's actions.ResultsNaringenin significantly alleviated foot inflammation in DBA/1 CIA mice and attenuated the levels of pro‐inflammatory cytokines in serum. It also enhanced antioxidant capacity in the CIA model. In vitro studies with LPS‐induced RAW264.7 cells demonstrated that Naringenin attenuated pro‐inflammatory cytokines and reactive oxygen species (ROS) levels. Mechanistic studies confirmed that Naringenin activated autophagy and increased autophagic flux. Blocking autophagy, either by silencing Atg5 or inhibiting autophagolysosome using chloroquine, effectively counteracted the impact of Naringenin on pro‐inflammatory cytokines. Further exploration revealed that Naringenin activated the AMPK/ULK1 signaling pathway, and inhibition of AMPK reversed the initiation of autophagy and reduced pro‐inflammatory cytokine secretion induced by Naringenin.ConclusionsThis study unveils a novel mechanism by which Naringenin may be used to treat RA. It demonstrates the therapeutic efficacy of Naringenin in a CIA model by reducing inflammation, modulating cytokine levels, and enhancing antioxidant capacity. Moreover, the activation of autophagy through the AMPK/ULK1 signaling pathway appears to play a critical role in Naringenin's anti‐inflammatory effects. These findings suggest potential strategies for the development of anti‐rheumatic medications based on Naringenin.
Titanium dioxide nanotube fiber using in headspace solid‐phase microextraction with GC–MS for BTEX detection
Authors: Shu Hun‐Chi , Chen Yi‐Shen , Huang Zhong‐Xiang 
Published: October 2023

AbstractAnodized TiO2 nanotube fibers using in‐headspace solid‐phase microextraction (SPME) with gas chromatography–mass spectrometry (GC–MS) have been exploited as an analytical method for volatile organic compounds such as benzene, toluene, ethylbenzene, and xylenes (BTEX) detection. The factors of anodizing time and annealing temperature for TiO2 nanotube production are studied and the adsorption factors (time, ionic strength, and temperature) and desorption factors (time and temperature) for BTEX analysis are optimized. The limit of detections (LODs) for benzene, toluene, ethylbenzene o‐xylene, and m, p‐xylene are 0.5, 0.1, 1.0, 1.0, and 2.0 μg L−1, respectively. The linear ranges for BTEX (0.5–15,000 μg L−1) and satisfactory linearity (R2 ≥ 0.9954) are obtained. This method is successfully applied in real samples with the recoveries ranging from 92% to 97%. TiO2 nanotube fiber is a promising technique for BTEX analysis.
Porcupine quills keratin peptides induces G0/G1 cell cycle arrest and apoptosis via p53/p21 pathway and caspase cascade reaction in MCF‐7 breast cancer cells
Authors: Wang Kun , Xu Yanan , Huang Haozhang , Peng Dong , Chen Jianping , Li Pan , Du Bing 
Published: October 2023

AbstractBACKGROUNDPorcupine quills, a by‐product of porcupine pork, are rich in keratin, which is an excellent source of bioactive peptides. The objective of this study was to investigate the underlying mechanism of anti‐proliferation effect of porcupine quills keratin peptides (PQKPs) on MCF‐7 cells.RESULTSResults showed that PQKPs induced MCF‐7 cells apoptosis by significantly decreasing the secretion level of anti‐apoptosis protein Bcl‐2 and increasing the secretion levels of pro‐apoptosis proteins Bax, cytochrome c, caspase 9, caspase 3 and PARP. PQKPs also arrested the cell cycle at G0/G1 phase via remarkably reducing the protein levels of CDK4 and enhancing the protein levels of p53 and p21. High‐performance liquid chromatography–tandem mass spectrometry (HPLC–MS/MS) analysis identified nine peptides with molecular weights less than 1000 Da in PQKPs. Molecular docking results showed that TPGPPT and KGPAC identified from PQKPs could bind with p53 mutant and Bcl‐2 protein by conventional hydrogen bonds, carbon hydrogen bonds and van der Waals force. Furthermore, the anti‐proliferation impact of synthesized peptides (TPGPPT and KGPAC) was shown in MCF‐7 cells.CONCLUSIONThese findings indicated that PQKPs suppressed the proliferation of MCF‐7 breast cancer cells by triggering apoptosis and G0/G1 cell cycle arrest. Moreover, the outcome of this study will bring fresh insights into the production and application of animal byproducts. © 2023 Society of Chemical Industry.
Pulsed electric field for shalgam juice: effects on fermentation, shelf‐life, and sensory quality
Authors: Öztürk Hale İnci , Buzrul Sencer , Bilge Gonca , Yurdakul Merve 
Published: October 2023

AbstractBACKGROUNDPulsed electric field (PEF) has become a reality in the food industry as a non‐thermal application. PEF is used due to its benefits such as increasing the extraction of anthocyanin or other bioactive substances, shortening the fermentation time, and reducing the microbiological load by electroporation. This study aimed to determine the effect of PEF pretreatment on the fermentation, chemical, microbiological, and sensory properties of shalgam juice. For this purpose, PEF with 1 kV cm−1 of field strength was used as a pretreatment for shalgam juice and changes in control and PEF‐treated samples were monitored during fermentation and 70 days of cold storage (4 °C).RESULTSThe pH and lactic acid content during fermentation were similar for both samples. The effect of PEF on pH (3.15–3.39), titratable acidity (4.35–5.49 g L−1), total phenolic content (279–766 mg mL−1 GAE) and antioxidant activity (694–2091 μmol Trolox mL−1) during storage was insignificant. PEF‐treated samples had lower total aerobic mesophilic bacteria (~9%) and lactic acid bacteria (~3%) counts than the control samples at the end of 70 days. Sensory analyses performed at 30th and 60th days of storage with 74 panelists revealed that the color, taste, sourness, saltiness, bitterness, and general acceptability were not inversely affected by PEF.CONCLUSIONOur results could be a basis to produce shalgam juice commercially by PEF treatment. Although more studies with new experimental designs should be carried out, preliminary results indicated that the use of PEF might have a potential for fermented products such as shalgam juices. © 2023 Society of Chemical Industry.
Spectroscopic Signatures of Plasmonic Near‐Fields on High‐Harmonic Emission
Authors: Jalil Sohail A. , Awan Kashif M. , Baxter Joshua , Bart Graeme , Purschke David N. , Fennel Thomas , Villeneuve David M. , Staudte André , Berini Pierre , Brabec Thomas , Ramunno Lora , Vampa Giulio 
Published: October 2023

AbstractIntense laser fields can reveal the attosecond and femtosecond response of matter in the emitted photoelectrons and high‐harmonic photons. The complementary perspective offered by these two messengers is well explored in gas molecules and, more recently, in bulk solids, where both electron emission and high‐order harmonics have been utilized to probe the laser‐matter interaction. In nanoscale solids, electron emission provides a wealth of information about the localized and inhomogeneous near fields around the nanoparticles. Here, it is shown experimentally that inhomogeneous fields also affect high‐order harmonics. Specifically, the experiment reveals strong indications that the field gradient of a nanoscale plasmonic hotspot found inside a Si crystal induces the emission of even‐order high harmonics from the crystal itself. This demonstration extends the complementary electron‐photon perspective on attosecond science to nanoscale systems.
Collagen‐EGCG Combination Synergistically Prevents UVB‐Induced Skin Photoaging in Nude Mice
Authors: Fan Zhiqiang , Zhou Yubin , Gan Bin , Li Yuling , Chen Huizhi , Peng Xinsheng , Zhou Yanfang 
Published: October 2023

AbstractUltraviolet (UV) radiation is a major cause of skin photoaging through generating excessive oxidative stress and inflammation. One of the strategies is to use photo‐chemoprotectors, such as natural products with antioxidant and anti‐inflammatory properties, to protect the skin from photo damage. The present study investigates the photoprotective potentials of topical administration of unhydrolyzed collagen, epigallocatechin gallate (EGCG), and their combination against ultraviolet B (UVB)‐induced photoaging in nude mice. It is found that both the solo and combined pretreatments could recover UVB‐induced depletion of antioxidative enzymes, including superoxide dismutase and glutathione peroxidase (GSH‐Px), as well as an increase of lipid peroxide malondialdehyde and inflammatory tumor necrosis factor‐α. Meanwhile, the UVB‐stimulated skin collagen degradation is attenuated significantly with drug treatments, which is evidenced by expression analysis of matrix metalloproteinase‐1 and hydroxyproline. Additionally, the mouse skin histology shows that the drug‐pretreated groups possess decreased epidermis thickness and normal collagen fiber structure of the dermis layer. These results demonstrate that both EGCG and collagen can protect the skin against UVB‐induced skin photoaging. Synergistically, the combination of them shows the maximum prevention to skin damage, showing its potential in the application of anti‐photoaging formulation products.