bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation of a pervasive immune, cardiac, and behavioral phenotype in Beckwith‐Wiedemann syndrome: A case report
Authors: McElroy Timothy D. , Duffy Kelly A. , Hathaway Evan R. , Byrne Mallory E. , Kalish Jennifer M. 
Published: January 2023

AbstractBeckwith‐Wiedemann syndrome (BWS) is an imprinting disorder caused by genetic and epigenetic changes in the chromosome 11p15 region. The syndrome is characterized by a wide range of features including macrosomia, lateralized overgrowth, abdominal wall defects, and hypoglycemia. BWS presentation is variable across the entire patient population, but certain areas including immunology, cardiology, and behavioral differences are not well characterized. We present a case of a male patient with BWS due to the most common cause of BWS, loss of methylation at imprinting center 2 with a variable phenotype, including classical features (macrosomia, macroglossia, omphalocele, placentomegaly and mild lateralized overgrowth) in addition to uncommon features (immune deficiency, developmental delays, and pulmonary stenosis) not typically seen in BWS. This study defines a patient's clinical presentation and course and highlights the need to consider atypical organ systems in BWS as either an expansion of the phenotype or co‐existing conditions to develop personalized care models.
Effective N‐Heterocyclic Carbenes with Indole Moiety Applied in the Pd‐Catalyzed Synthesis of Sterically Hindered Biaryls
Authors: Lai Yu‐Ting , Lin Huan‐Pin , Hsu Yu‐Ming , Wang Ying‐Yueh , Lee Dong‐Sheng , Lu Ta‐Jung 
Published: January 2023

AbstractIndolyl‐based benzimidazolium salts have been designed and prepared using three easy steps, namely indole alkylation, iodine‐catalyzed C−N bond coupling, and substitution. These salts have high catalytic performance in Pd‐catalyzed sterically hindered biaryl synthesis. The variability of the salt scaffold can be modified by the substitution of indole and alkyl halides. The Suzuki‐Miyaura cross‐coupling (SMC) of aryl chlorides was performed with satisfactory functional group tolerance and biaryls were obtained in 42–87% yield at 90 °C by using 0.5 mol% of Pd(OAc)2/1 i as the catalyst. Our results highlight the importance of maintaining a balance between the length of the carbon chain of substituents on the indole moiety and the steric congestion of substituents on the indole moiety for catalytic activity; this can be beneficial in difficult coupling processes. In addition, an asymmetric SMC reaction of aryl chloride under optimal reaction conditions was achieved with an 8% ee preliminarily.
Nitrogen Plasma Enhanced Low Temperature Atomic Layer Deposition of Magnesium Phosphorus Oxynitride (MgPON) Solid‐State Electrolytes
Authors: Su Jin , Tsuruoka Tohru , Tsujita Takuji , Inatomi Yuu , Terabe Kazuya 
Published: January 2023

AbstractSolid‐state batteries (SSBs) that use solid electrolytes instead of flammable liquid electrolytes have the potential to generate higher specific capacity and offer better safety. Magnesium (Mg) based SSBs with Mg metal anodes are considered to be one of the most promising energy storage candidates, because it gives high theoretical volumetric capacities of 3830 mAh cm−3. Here, we demonstrate an atomic layer deposition (ALD) process with a double nitrogen plasma process that successfully produces nitrogen‐incorporated magnesium phosphorus oxynitride (MgPON) solid‐state electrolyte (SSE) thin films at a low deposition temperature of 125 °C. The ALD MgPON SSEs exhibit an ionic conductivity of 0.36 and 1.2 μS cm−1 at 450 and 500 °C, respectively. The proposed ALD strategy shows the ability of conformal deposition nitrogen‐doped SSEs on pattered substrates and is attractive for using nitride ion‐conducing films as protective or wetting interlayers in solid‐state Mg and Li batteries.
Aminopeptidase N‐Responsive Conjugates with Tunable Charge‐Reversal Properties for Highly Efficient Tumor Accumulation and Penetration
Authors: Sun Rui , Zhang Yifan , Lin Xiaowei , Piao Ying , Xie Tao , He Yi , Xiang Jiajia , Shao Shiqun , Zhou Quan , Zhou Zhuxian , Tang Jianbin , Shen Youqing 
Published: January 2023

AbstractTumor enzyme‐responsive charge‐reversal carriers can induce efficient transcytosis and lead to efficient tumor infiltration and potent anticancer efficacy. However, the correlations of molecular structure with charge‐reversal property, tumor penetration, and drug delivery efficiency are unknown. Herein, aminopeptidase N (APN)‐responsive conjugates were synthesized to investigate these correlations. We found that the monomeric unit structure and the polymer chain structure determined the enzymatic hydrolysis and charge‐reversal rates, and accordingly, the transcytosis and tumor accumulation and penetration of the APN‐responsive conjugates. The conjugate with moderate APN responsiveness balanced the in vitro transcytosis and in vivo overall drug delivery process and achieved the best tumor delivery efficiency, giving potent antitumor efficacy. This work provides new insight into the design of tumor enzyme‐responsive charge‐reversal nanomedicines for efficient cancer drug delivery.
2D Transition Metal Dichalcogenides for Photocatalysis
Authors: Yang Ruijie , Fan Yingying , Zhang Yuefeng , Mei Liang , Zhu Rongshu , Qin Jiaqian , Hu Jinguang , Chen Zhangxing , Hau Ng Yun , Voiry Damien , Li Shuang , Lu Qingye , Wang Qian , Yu Jimmy C. , Zeng Zhiyuan 
Published: January 2023

AbstractTwo‐dimensional (2D) transition metal dichalcogenides (TMDs), a rising star in the post‐graphene era, are fundamentally and technologically intriguing for photocatalysis. Their extraordinary electronic, optical, and chemical properties endow them as promising materials for effectively harvesting light and catalyzing the redox reaction in photocatalysis. Here, we present a tutorial‐style review of the field of 2D TMDs for photocatalysis to educate researchers (especially the new‐comers), which begins with a brief introduction of the fundamentals of 2D TMDs and photocatalysis along with the synthesis of this type of material, then look deeply into the merits of 2D TMDs as co‐catalysts and active photocatalysts, followed by an overview of the challenges and corresponding strategies of 2D TMDs for photocatalysis, and finally look ahead this topic.
Composition characterization and biological activity study of Achillea vermicularis extract and extract‐loaded nanoparticles
Authors: Doğan Murat , Koçyiğit Ümit M. , Çetin Feyza Nur , Yılmaz Beyza Nur , Taşkın Turgut 
Published: January 2023

AbstractAntiproliferative activity of Achillea vermicularis extracts was calculated on glial (C6) and keratinocyte (HaCaT) cell lines using XTT assay. It was observed that all extracts of A. vermicularis at the determined concentration were not cytotoxic in HaCaT cell lines. The nanoparticles (NPs) of the extract with the best cytotoxic activity was prepared, and necessary characterization studies were performed. Results showed that NP containing the extract has a lower IC50 value and more cytotoxic activity in C6 cells compared to the only extract. Furthermore, the antiepileptic potentials of these substances were explored in this study. The effect of A. vermicularis extracts on the enzyme activities of carbonic anhydrase I and II isoenzymes (hCA I and hCA II) was measured using spectrophotometry to achieve this goal. A. vermicularis extracts demonstrated high inhibitory activities compared to standard inhibitor (acetazolamide, AAZ), with IC50 values in the range of 5.04–10.8 μg/ml for hCA I, and 5.40–9.22 μg/ml for hCA II. High‐performance liquid chromatography diode array detector (HPLC‐DAD) was used in this investigation to assess the main chemicals found in the extract and NPs. The results showed that the ethanol extract (157.636 μg/mg extract) and NPs (4.631 μg/mg extract) had a significant amount of the 8‐hydroxy salvigenin component.
Digitalization and prevention of corruption: Opportunities and risks—Some evidence from the Italian university system
Authors: Cappelli Lucio , Pisano Antonella , Iannucci Enrica , Papetti Patrizia , D'Ascenzo Fabrizio , Ruggieri Roberto 
Published: January 2023

AbstractDigitalization is a largely ongoing process, affecting the sustainability of the social, economic and administrative systems of all countries. Our work focuses on the public sector and specifically on the university system. We explore the challenge of digital change and its contribution to transparency and anti‐corruption policies, with a look to the opportunities and risks associated with the adoption of digital approaches. Using the content analysis tool, we investigate the efforts of Italian universities in digital transformation and their ability to integrate digitalization with anti‐corruption strategies. Findings reveal that most of these institutions are actively addressing the challenge of digitalization, but few of them consider it as a strategy to strengthen anti‐corruption and transparency, and even fewer assess the risk deriving from adoption of digital technologies. On the basis of our results, an appropriate benchmarking/benchlearning process would bring advantages in the dissemination of best practices in Italian public university system.
Refuse derived fuels as an immediate strategy for the energy transition, circular economy, and sustainability
Authors: Mateus Maria Margarida , Cecílio Duarte , Fernandes M. Cristina , Neiva Correia M. Joana 
Published: January 2023

AbstractThe production of Refused Derived Fuel (RDF) from Municipal Solid Waste is one of the routes to attain a circular economy as it promotes the circular loop of materials and energy. Furthermore, in addition to the waste‐to‐energy approach, RDF production reduces the amount of waste disposed in landfills, thus reducing greenhouse gasses emissions and water streams' contamination. Nevertheless, there are still numerous technological constraints to RDF use, namely, its moisture content and granulometry that are highly dependent on the production process. In this context, this work discusses the contribution of RDF to the promotion of the circular economy, presenting the main RDF properties and production processes. An analysis of the RDF market in Europe, Asia, North America, and Africa was performed by analyzing imports and exports. The analysis highlights the expansion of RDF as an energy source in current times with Europe as a driving force for its integration following circular economy guidelines. However, incentives would significantly speed up RDF adoption and decrease the carbon footprint as a short‐term mitigation strategy.
Biological Screening of Polyphenol Derivatives for Anti‐Proliferative, Anti‐Apoptotic and Anti‐Migrative Activities in Human Breast Cancer Cell Lines MCF‐7
Authors: Erden Tayhan Seçil , Bilgin Sema , Yıldırım Aslı , Koç Esra 
Published: January 2023

AbstractBreast cancer is known as the most common type of invasive cancer in women. It is well‐known that phenolic compounds play an important role in the treatment of this disease. This study hypothesized that isoeugenol based two polyphenolic compounds 1 and 2 exerts its anti‐proliferative effects through the induction of apoptosis and cell migration arrest on human breast cancer cell. Based on this hypothesis, the study aimed to investigate the anti‐proliferative, anti‐migrative effects of these compounds and their possible basic molecular mechanisms of action in MCF‐7 cell lines. As a result, isoeugenol‐based compounds 1 and 2 showed anti‐proliferative, anti‐apoptotic and anti‐migrative effects in MCF‐7 breast cancer cells. This result was supported by molecular analyzes and it was determined that there were changes in the expression of some gene regions involved in apoptosis and migration. Additionally, it was a remarkable result that cell viability inhibition did not occur in healthy breast tissue cells and no cytotoxic effect was observed. The existence of such a differentiation between cancer cells and healthy cells significantly increases the potential of these compounds to be used as chemotherapeutic drug active ingredients without side effects.
Rational Design of a Highly Specific Prolyl Endopeptidase To Activate the Antihypertensive Effect of Peptides
Authors: Ma Mingzhe , Cong Yalong , Zhang John Z. H. , Zhang Lujia 
Published: January 2023

AbstractEnzymatic hydrolysis of food‐derived proteins to produce bioactive peptides could activate food functions such as antihypertension. However, the diversity of enzymatic hydrolysis products can reduce bioactive peptides’ efficacy. Highly specific proteases can homogenize the hydrolysis products to reduce the production of impotent peptides. In this study, we successfully obtained M. xanthus prolyl endopeptidase mutant Y451M by constraint/free molecular dynamics simulations and binding energy calculations. The specificity of Y451M for proline was increased by 286 % compared to WT, while its activity was almost unchanged. Milk‐derived substrates processed with Y451M showed an antihypertensive effect that was 567 % higher than without enzymes. The ability to activate food antihypertension increased 152 % and the use of enzyme by 192 % compared with WT. Specific proteases are thus valuable tools in the processing of complex substrates to obtain bioactive peptides.
Synthesis and Characterization of a Highly Reactive and Robust Chlorine‐Bound Ni Single‐Atom‐Catalyst for the Continuous Flow Ring‐Opening Reaction of Epoxides
Authors: Abbas Syed Asad , Cao Lei , Seo Dongho , Farah Abdikani Omar , Cheong Paul Ha‐Yeon , Park Jin Kyoon , Nam Ki Min 
Published: January 2023

AbstractNickel single‐atom‐catalysts (Ni−SACs), which are known for their unique catalytic activity, are mainly used in electrocatalytic reactions that focus on high metal loading in carbon support to improve their performance. However, we attempted to modify the Ni species to find new catalytic properties by hypothesizing that functionalized Ni−SACs can exhibit strong Lewis acidic properties in organic reactions. Herein, a low‐temperature salt‐assisted synthesis of highly Lewis acidic chlorine‐bound nickel SAC (Cl−Ni−SAC) is established and the synthesized catalyst is applied to the ring‐opening reaction of epoxides with alcohol. The obtained Cl−Ni−SAC facilitates a fast and efficient ring‐opening reaction of epoxides with high recyclability. In addition, the highly active Cl−Ni−SAC was applied to the continuous flow set‐up for sustainable transformation for 24 h, yielding 9.7 g of the desired product. Stereochemical experiments and density functional theory calculations demonstrated the importance of MeOH⋅⋅⋅Cl hydrogen bonding, N−H⋅⋅⋅Ni agostic interaction, and π‐stacking in the transition state.
Exploring the Electroluminescent Applications of Imidazole Derivatives
Authors: Lin Yan‐Ding , Tsai Wei‐Wen , Lu Chin‐Wei 
Published: January 2023

AbstractRecently, the fields of organic light‐emitting diodes (OLEDs) and light‐emitting electrochemical cells (LECs) have improved tremendously with regard to tunable emission, efficiency, brightness, and thermal stability. Imidazole derivatives are excellent deep blue‐green light‐emitting layers in the OLED or LEC devices. This Review summarizes the major breakthroughs of various electroluminescence (EL) layers with imidazole‐containing organic or organometallic derivatives, the molecular design principles, and their light‐emitting performances as effective EL materials. The highly tunable chemical structures and flexible molecular design strategies of imidazole‐based compounds are advantages that provide great opportunities for researchers. They can provide a good basis for the design and development of new EL materials with narrower emission and higher efficiency. Moreover, imidazole compounds have demonstrated breakthrough performances in thermally activated delayed fluorescence (TADF) properties where triplet excitons are utilized to inhibit anti‐intersystem quenching, showing great promise in breaking the theoretical external quantum efficiencies (EQE) limits in traditional fluorescent devices.
Denitrative Hydroxylation of Unactivated Nitroarenes**
Authors: Duff Lee , Meakin Harry , Richardson Adam , Greener Andrew J. , Smith George W. A. , Ocaña Ivan , Chechik Victor , James Michael J. 
Published: January 2023

AbstractA one‐step method for the conversion of nitroarenes into phenols under operationally simple, transition‐metal‐free conditions is described. This denitrative functionalization protocol provides a concise and economical alternative to conventional three‐step synthetic sequences. Experimental and computational studies suggest that nitroarenes may be substituted by an electron‐catalysed radical‐nucleophilic substitution (SRN1) chain mechanism.
Mit Luminol‐Leuchtpulver zum Sternenhimmel
Authors: Korn‐Müller Andreas , Steinhofer Harald 
Published: January 2023

ZusammenfassungMit Hilfe einer einfachen Rezeptur aus Waschpulver, rotem Blutlaugensalz und Luminol kann ein haltbares und ungefährliches Leuchtpulver hergestellt werden, das sich für die Durchführung spektakulärer Chemolumineszenz‐Effekte eignet. Auf diese Weise wird die Umwandlung von chemischer Energie in Lichtenergie in beeindruckender Weise sichtbar gemacht. Über viele Anknüpfungsmöglichkeiten und Alltagsphänomene lässt sich das Leuchtpulver sowohl in der Unterstufe als auch in der Mittelstufe als emotionaler Einstieg in den Lehrplan einbinden. Darüber hinaus können verschiedene Waschpulver auf ihre Leuchtstärke untersucht werden. Gerade in Corona‐Zeiten erwies sich ein „Experiment für zu Hause“ als besonders motivierend.
Branched Fluorine/Adamantane Interfacial Compatibilizer for PBO Fibers/Cyanate Ester Wave‐Transparent Laminated Composites
Authors: Liu Zheng , Fan Xiaoli , Han Muyi , Li Hao , Zhang Junliang , Chen Lixin , Zhu Qiju , Gu Junwei 
Published: January 2023

Comprehensive SummaryBranched fluorine/adamantane PBO precursor (preFABPBO), synthesized via random co‐condensation between 2,2‐bis(3‐amino‐ 4‐hydroxyphenyl)hexafluoro propane, 1,3‐adamantanedicarbonyl dichloride, and trimesoyl chloride, is performed as interfacial compatibilizer, bisphenol A dicyanate ester (BADCy) resin as polymer matrix, and poly(p‐phenylene‐2,6‐benzobisoxazole) (PBO) fibers as reinforcements to prepare PBO fibers/FABPBO‐BADCy wave‐transparent laminated composites by high temperature molding. The mechanical properties, wave‐transparent performances, and heat resistances of PBO fibers/BADCy composites are simultaneously improved by the addition of preFABPBO. The interlaminar shear strength (ILSS) and flexural strength of PBO fibers/FABPBO‐BADCy composites are 48.9 and 665.3 MPa, respectively, increased by 33.2% and 13.3% compared to those of PBO fibers/BADCy composites (36.7 and 587.4 MPa). The dielectric constant and dielectric loss values at 106 Hz are 2.53 and 0.003, respectively, lower than those of PBO fibers/BADCy composites (3.06 and 0.006), and the corresponding wave transmission efficiency is 94.8%, which also presents excellent stability over the wide temperature (25—200 °C) and frequency range (103—107 Hz and 8.2—12.4 GHz). Meanwhile, the heat resistance index and glass transition temperature are 229.9 °C and 247.5 °C, also better than those of PBO fibers/BADCy composites (229.6 °C and 247.1 °C).
Cu‐Doped MoSi2N4 Monolayer as a Potential NH3 Sensor
Authors: Linghu Yaoyao , Tong Tianyue , Wu Chao 
Published: January 2023

AbstractCu doped MoSi2N4 monolayer (Cu‐MoSi2N4) was firstly proposed to analyze adsorption performances of common gas molecules including O2, N2, CO, NO, NO2, CO2, SO2, H2O, NH3 and CH4 via density functional theory (DFT) combining with non‐equilibrium Green's function (NEGF). The electronic transport calculations indicate that Cu‐MoSi2N4 monolayer has high sensitivity for CO, NO, NO2 and NH3 molecules. However, only NH3 molecule adsorbs on the Cu‐MoSi2N4 monolayer with moderate strength (−0.55 eV) and desorbs at room temperature (2.36×10−3 s). Thus, Cu‐MoSi2N4 monolayer is demonstrated as a potential NH3 sensor.
Effect of Tsallis–Gurevich distributed ions on nonlinear dust‐acoustic oscillations in collisionless nonextensive plasma
Authors: Benaiche Salim , Bacha Mustapha , Merriche Abderrzak , Amour Rabia 
Published: January 2023

AbstractBoth linear and weakly nonlinear dust‐acoustic (DA) solitons propagation are revisited in the presence of adiabatically trapped‐nonextensive ions. A physically relevant distribution (called Tsallis‐Gurevich ions distribution) is outlined here for the first time. The effect of particle trapping has been taken into account, resulting in a new expression for the ion density. The role a background ion nonextensivity may play on the main proprieties (viz., dispersion relation and soliton's profile) of DA mode, inherent to space dusty plasma, is then analysed. In the q > 1 case, we have shown that as the nonextensive character of trapped ions increases in the plasma, the potential pulse amplitude increases while its width is narrowed. The modifications prompted by the presence of adiabatically trapped‐nonextensive ions on both DA energy and solitary wave's electric field are also analysed. Interestingly, we have found that DA soliton energy increases as the ions evolve far away from their Maxwellian extensive trapping. Also, it is found that, for q > 1, the stronger the inter‐ions correlation, the stronger the electric field. Our investigation, motivated by space and laboratory plasma observations of plasmas containing non‐Maxwellian particles alongside trapped particles, may complement and provide new insight into previously published works dealing with solitary waves in plasma.
Gem‐diol Generation in Copper and Zinc N‐methyl‐2‐imidazolecarboxaldehyde Complexes: Solid‐state NMR, EPR and Single‐Crystal X‐ray Studies
Authors: Crespi Ayelén F. , Vega Daniel , Pérez Ana L. , Rodríguez‐Castellón Enrique , Lázaro‐Martínez Juan M. 
Published: January 2023

AbstractNovel coordination compounds, mono‐ (1) and binuclear copper complexes (2) and a zinc complex (3) were synthesized and studied through single‐crystal X‐ray crystallography, solid‐state NMR and EPR techniques to determine the chemical functionalization of the carbonyl group in N‐methyl‐2‐imidazolecarboxaldehyde ligand. Particularly, molecules containing carbonyl groups are versatile ligands that give rise to a wide range of new materials due to the high reactivity of the carbonyl group. However, the chemical identification of the functional group present in these coordination compounds is a challenge because the copper ion affects the NMR signals. In this sense, X‐ray crystallography becomes an indispensable tool for the analysis. The imidazole ligands in copper complexes 1 and 2 were found to be the aldehyde and the gem‐diol forms, respectively. Furthermore, the gem‐diol and carboxylate moieties were detected in the crystal lattice for the zinc complex 3 and studied by solution‐ and solid‐state NMR.