bluuebunny/crossref_metadata_2025_split huggingface dataset:
Population Fluctuation Mechanism of the Super‐Thermal Photon Statistic of Quantum LEDs with Collective Effects
Authors: Protsenko Igor E. , Uskov Alexander V. 
Published: July 2024

AbstractThe analytical procedure is developed for the calculation of the quantum second‐order autocorrelation function of a small super‐radiant LED, where the field, polarisation, and population of the active medium cannot be eliminated adiabatically. The Langevin force, which describes the effect of population fluctuations on the LED polarisation and preserves the operator commutation relations, is found. It is demonstrated that the super‐thermal photon statistics with of a small quantum LED with large photon number fluctuations, emitter‐field coupling, bad cavity, and operating in the limit , is the result of a combined effect of the spontaneous emission, collective effects and population fluctuations. Analytical expressions for and are derived.
Potent and Selective Oxidatively Labile Ether‐Based Prodrugs through Late‐Stage Boronate Incorporation
Authors: Geaneotes Paul J. , Janosko Chasity P. , Afeke Cephas , Deiters Alexander , Floreancig Paul E. 
Published: July 2024

AbstractThis manuscript describes a new strategy for prodrug synthesis in which a relatively inert ether group is introduced at an early stage in a synthetic sequence and functionalized in the final step to introduce a prodrug‐activating group through a chemoselective process. Boryl allyloxy (BAO) ether groups are synthesized through several metal‐mediated processes to form entities that are readily cleaved under oxidative conditions commonly found in cancer cells. The high cleavage propensity of the BAO group allows for ether cleavage, making these compounds substantially more hydrolytically stable in comparison to acyl‐linked prodrugs while retaining the ability to release alcohols. We report the preparation of prodrug analogues of the natural products camptothecin and pederin from acetal precursors that serve as protecting groups in their synthetic sequences. The BAO acetal groups cleave in the presence of hydrogen peroxide to release the cytotoxic agents. The pederin‐based prodrug shows dramatically greater cytotoxicity than negative controls and outstanding selectivity and potency toward cancer cell lines in comparison to non‐cancerous cell lines. This late‐stage functionalization approach to prodrug synthesis should be applicable to numerous systems that can be accessed through chemoselective processes.
Synthesis of Long‐Chain Polyamides via Main‐Chain Modification of Polyethyleneketones
Authors: Lu Yipu , Takahashi Kohei , Zhou Jian , Nontarin Roopsung , Nakagawa Shintaro , Yoshie Naoko , Nozaki Kyoko 
Published: July 2024

AbstractLong‐chain polyamides (polyethyleneamides) were prepared from polyethylenes bearing in‐chain carbonyl groups (polyethyleneketones) by the oxime formation and successive Beckmann rearrangement. (Diethylamino)sulfur trifluoride (DAST) was utilized as a promoter, which allowed mild conversion of the oxime group in spite of low solubility of the polymers. The polyethyleneamide exhibited different tensile property compared to a commercial HDPE.
Overcoming Challenges in O‐Nitration: Selective Alcohol Nitration Deploying N,6‐Dinitrosaccharin and Lewis Acid Catalysis
Authors: Fernandes Anthony J. , Valsamidou Vasiliki , Katayev Dmitry 
Published: July 2024

AbstractNitrate esters hold pivotal roles in pharmaceuticals, energetic materials, and atmospheric processes, motivating the development of efficient synthesis routes. Here, we present a novel catalytic method for the synthesis of nitrates via the direct O‐nitration of alcohols, addressing limitations of current traditional methods. Leveraging bench‐stable and recoverable N,6‐dinitrosaccharin reagent, our catalytic strategy employs magnesium triflate to achieve mild and selective O‐nitration of alcohols, offering broad substrate scope and unprecedentedly large functional group tolerance (e.g. alkenes, alkynes, carbonyls). DFT mechanistic studies reveal a dual role of the magnesium catalyst in the activation of both the nitrating reagent and the alcohol substrate. They also unveil a barrierless proton transfer upon formation of a widely‐accepted – yet elusive in solution – nitrooxonium ion intermediate. Overall, our work contributes to the development of mild, selective, and sustainable approaches to nitrates synthesis, with potential applications in drug discovery, materials science, and environmental chemistry.
Halogen Bond Unlocks Ultra‐High Birefringence
Authors: Chen Jin , Xu Miao‐Bin , Wu Huai‐Yu , Wu Jun‐Yan , Du Ke‐Zhao 
Published: July 2024

AbstractAnisotropy is crucial for birefringence (Δn) in optical materials, but optimizing it remains a formidable challenge (Δn >0.3). Supramolecular frameworks incorporating π‐conjugated components are promising for achieving enhanced birefringence because of their structural diversity and inherent anisotropy. Herein, we first synthesized (C6H6NO2)+Cl− (NAC) and then constructed a halogen‐bonded supramolecular framework I+(C6H4NO2)− (INA) by halogen aliovalent substitution of Cl− with I+. The organic moieties are protonated and deprotonated nicotinic acid (NA), respectively. The antiparallel arrangement of birefringent‐active units in NAC and INA leads to significant differences in the bonding characteristics between the interlayer and intralayer domains. Moreover, the [O⋅⋅⋅I+⋅⋅⋅N] halogen bond in 1D [I+(C6H4NO2)−] chain exhibits stronger interactions and stricter directionality, resulting in a more pronounced in‐plane anisotropy between the intrachain and interchain directions. Consequently, INA exhibits exceptional birefringent performance, with a value of 0.778 at 550 nm, twice that of NAC (0.363 at 550 nm). This value significantly exceeds those of commercial birefringent crystals, such as CaCO3 (0.172 at 546 nm), and is the highest reported value among ultraviolet birefringent crystals. This work presents a novel design strategy that employs halogen bonds as connection sites and modes for birefringent‐active units, opening new avenues for developing high‐performance birefringent crystals.
Designed Synthesis of an Aluminum Molecular Ring Based Rotaxane and Polyrotaxane
Authors: Liu Ya‐Jie , Zheng Chan , Xiao Han , Wang Zirui , Zhang Cheng‐Yang , Wang San‐Tai , Fang Wei‐Hui , Zhang Jian 
Published: July 2024

AbstractMechanically interlocked molecules, such as rotaxanes, have drawn significant attention within supramolecular chemistry. Although a variety of macrocycles have been thoroughly explored in rotaxane synthesis, metal‐organic macrocycles remain relatively under‐investigated. Aluminum molecular rings, with their inner cavities and numerous binding sites, present a promising option for constructing rotaxanes. Here, we introduce an innovative “ring‐donor⋅⋅⋅axle‐acceptor” motif utilizing Al8 molecular rings, enabling the stepwise assembly of molecules, complexes, and polymers through tailored coordination chemistry. This novel approach can not only be applied to macrocycle‐based systems like catenanes but also enhance specific functionalities progressively.
[4]Rhombene: Solution‐Phase Synthesis and Application in Distributed Feedback Lasers With Emission Beyond 830 nm
Authors: Shen Tong , Pasqués‐Gramage Pablo , Villalvilla José M. , Boj Pedro G. , Quintana José A. , Zou Ya , Han Yi , Jiao Liuying , Ren Longbin , Díaz‐García María A. , Wu Jishan 
Published: July 2024

AbstractGraphene‐like molecules with multiple zigzag edges are emerging as promising gain materials for organic lasers. Their emission wavelengths can vary widely, ranging from visible to near‐infrared (NIR), as the molecular size increases. Specifically, rhombus‐shaped molecular graphenes with two pairs of parallel zigzag edges, known as [n]rhombenes, are excellent candidates for NIR lasers due to their small energy gaps. However, synthesizing large‐size rhombenes with emission beyond 800 nm in solution remains a significant challenge. In this study, we present a straightforward synthesis of an aryl‐substituted [4]rhombene derivative, [4]RB‐Ar, using a method that combines intramolecular radical‐radical coupling with Bi(OTf)3‐mediated cyclization of vinyl ethers. The structure of [4]RB‐Ar was confirmed through X‐ray crystallographic analysis. Bond length analysis and theoretical calculations indicate that aromatic sextets are predominantly localized along the molecule's long axis. Significantly, [4]RB‐Ar demonstrates narrow amplified spontaneous emission at around 834 nm when dispersed in polystyrene thin films. Moreover, solution‐processed distributed feedback lasers employing [4]RB‐Ar as the active gain material display tunable narrow emissions in the range of 830 to 844 nm.
Biomarker Multiplexing with Rational Design of Nucleic Acid Probe Complex
Authors: Zhao Yu , Xin Hui , Wang Chunyan 
Published: July 2024

AbstractThe expression profiles of intracellular biomarkers hold significance for understanding cellular biological functions and tracking pathological activities. Due to its programmability and biocompatibility, extensive efforts have been devoted to design various kinds of nucleic acid probes for biomarker detection. However, pinpointing a single biomarker could end up in a false positive signal, delaying diagnosis. In this review, we present an overview of current advances in biomarker detection and signal amplification techniques. We highlight strategies for biomarker multiplexing and signal amplification with combination of isothermal approaches. High specificity and sensitivity are the two criteria for a desired probe, as are the challenges encountered by a probe that operates efficiently in biological systems. With higher biomarker identification accuracy, we may be able to move one step closer to precision medicine.
The effect of functional lipids on the quality of walnut butter prepared from defatted walnut meal by ball mill grinding
Authors: Xie Yuxin , Jiang Nan , Su Hongchen , Zhang Jiao , Tan Feng , Cheng Xi , Wang Jiyan , Hu Hao 
Published: July 2024

AbstractIn this study, walnut butter was produced by mixing functional lipids with defatted walnut meal. Three kinds of functional lipids (FL), medium‐chain triglycerides (MCT), diacylglycerol (DG), and conjugated linoleic acid glycerides (CLA), were used to make functional lipids walnut butter (DG‐WB, CLA‐WB and MCT‐WB) and their physical properties as well as microscopic morphology were compared with commercial walnut butter. The functional lipids walnut butter (FLWB) was prepared by grinding FL and defatted walnut meal through the ball milling technique. The mixing ratios of FL to defatted walnut meal were 6:4, 6.5:3.5, and 7:3. The volumetric mean particle size of emulsion formed by DG‐WB and CLA‐WB decreased by 36.23% and 20.88%, respectively when the additional amounts of DG, and CLA increased from 60 wt% to 70 wt%. The rheological and microrheological results further indicated that FLWB showed similar gel‐like behavior to commercial walnut butter. Among the FLWB with three different kinds of FL, CLA‐WB appeared more similar apparent viscosity, thixotropy, and elasticity with those of commercial walnut butter. Finally, CLA‐WB with different CLA additive amount was analyzed for microstructure. The results showed that walnut butter prepared with 65 wt% CLA was closer to commercial walnut butter in terms of processed physical properties and micro‐morphology.
Selenylated Analogs of Tacrine: Synthesis, In Silico and In Vitro Studies of Toxicology and Antioxidant Properties
Authors: do Sacramento Manoela , Morais Roberto B. , Silveira Lima Ariana , Zugno Giuliana P. , de Oliveira Renata L. , da Costa Gabriel P. , Savegnago Lucielli , Alves Diego 
Published: July 2024

AbstractWe present our results on the synthesis and preliminary in silico and in vitro studies of the toxicology and antioxidant properties of selenylated analogs of Tacrine. Initially, we synthesized 2‐aminobenzonitriles containing an organic selenium moiety, resulting in sixteen compounds with various substituents linked to the portion derived from diorganyl diselenide. These compounds were then used as substrates in reactions with cyclic ketones, in the presence of 1.4 equivalents of trifluoroboroetherate as a Lewis acid, to synthesize selenylated analogs of Tacrine with yields ranging from 20 % to 87 %. In silico studies explored computational parameters related to antioxidant activity and hepatotoxicity. In vitro studies elucidated the antioxidant effects of Tacrine and its selenium hybrid (TSe) in neutralizing ABTS radicals, scavenging DPPH radicals, and reducing iron ions. Additionally, the acute oral toxicity of one synthesized compound was evaluated.
A common genetic variant in the Neurexin family member CNTNAP2 is related to language but not communication skills in youth with Autism Spectrum Disorder
Authors: Arutiunian Vardan , Santhosh Megha , Neuhaus Emily , Sullivan Catherine A. W. , Bernier Raphael A. , Bookheimer Susan Y. , Dapretto Mirella , Geschwind Daniel H. , Jack Allison , McPartland James C. , Van Horn John D. , Pelphrey Kevin A. , Gupta Abha R. , Webb Sara Jane ,   the ACE GENDAAR Network
Published: July 2024

AbstractOne of the candidate genes related to language variability in individuals with Autism Spectrum Disorder (ASD) is the contactin‐associated protein‐like 2 gene (CNTNAP2), a member of the Neurexin family. However, due to the different assessment tools used, it is unknown whether the polymorphisms of the CNTNAP2 gene are linked to structural language skills or more general communication abilities. A total of 302 youth aged 7 to 18 years participated in the present study: 131 verbal youth with ASD (62 female), 130 typically developing (TD) youth (64 female), and 41 unaffected siblings (US) of youth with ASD (25 female). Blood samples were collected to obtain genomic DNA and processed by the Rutgers University Cell and Data Repository or using standard protocols (Gentra Puregene Blood DNA extraction kit; Qiagen). Language and verbal communication skills were screened with the Clinical Evaluation of Language Fundamental‐4 (CELF‐4) and Vineland‐II Communication domain, subsequently. The results showed that the polymorphism of CNTNAP2 (SNP rs2710102) was related to structural language abilities, such that participants carrying the A‐allele had lower language skills in comparison to the G‐allele homozygotes. No relationship was found between the polymorphism of CNTNAP2 and more general communication abilities. Although the study revealed genetic mechanisms that are associated with CELF‐4 measures but not Vineland‐II in youth with ASD, follow‐up studies are needed that will include measures of language and communication that are less correlated to each other as well as will include a group of minimally and/or non‐verbal individuals with ASD.
Combining a Data Driven and Mechanistic Model to Predict Capacity and Potential Curve‐Degradation
Authors: Stadler Jochen , Fath Johannes , Ecker Madeleine , Latz Arnulf 
Published: July 2024

AbstractThis work compares a state of the art data‐driven model to predict the state of health (SoH) in lithium ion batteries with a new prediction model based on the mechanistic framework. The mechanistic approach attributes the degradation to individual components such as loss of available capacity on each electrode as well as loss of cyclable lithium. By combining the mechanistic framework with data‐driven models for the component losses based on a design of experiment, we achieve a cycle aging model that can predict capacity degradation as well as degradation‐induced changes to the discharge potential curve. Using this cycle aging model alongside with a semi‐empirical calendar aging model, we present a holistic aging model that we validate on independent validation tests containing time‐variant load profiles. While the purely data‐driven model is better at predicting the SoH, the mechanistic model clearly has it advantages in a deeper understanding that can potentially enhance the current methods of tracking and updating the characteristic open‐circuit voltage curve over lifetime.
When compassion, aka karuna, enters the Indian psychotherapy space: A mixed‐method case‐series study of compassion‐focused therapy in depression
Authors: Sengupta Pramita , Saxena Priya 
Published: July 2024

AbstractBackgroundCompassion‐focused therapy (CFT) is transdiagnostic. It primarily targets shame and self‐criticism in persons with depression. While there have been studies in the West to explore the beneficial effects of CFT, there is a need to unpack how CFT functions in the East.MethodThis study aimed to explore the utility and process of CFT in North‐East India. The authors tailored a 12‐session CFT module based on the suggestions of three local mental health professionals. A mixed‐method design was employed. Five mental health service users in a tertiary mental healthcare hospital diagnosed with depression based on ICD‐10 criteria were recruited in the study. For quantitative measurements, the Hamilton Depression Rating Scale (HDRS), Others as Shamer Scale (OAS), Fears of Compassion Scales (FOC), The Forms of Self‐Criticizing and Reassuring Scale (FSCRS) and Compassionate Engagement and Action Scales (CEAS) were administered. Three time point assessments were taken, that is, baseline, post‐intervention and 1‐month follow‐up. To understand the process of CFT, qualitative narrative analysis was undertaken on session notes, memos and reflective journals focusing on the nature of compassion, blocks of compassion, sense of shame and self‐criticality.ResultsQuantitative findings indicated improvement of depressive symptoms and changes in sense of shame, fear of compassion, self‐criticality, self‐reassuring tendencies and compassionate engagements and actions. The qualitative findings shed light on the process of CFT.ConclusionThe authors discussed the findings anchoring the existing theories of CFT and relevant studies. The findings support the preliminary evidence of the utility of CFT in persons with depression.
Consumer behavior in immersive virtual reality retail environments: A systematic literature review using the stimuli‐organisms‐responses (S‐O‐r) model
Authors: Erensoy Aysu , Mathrani Anuradha , Schnack Alexander , Elms Jonathan , Baghaei Nilufar 
Published: July 2024

AbstractWith the rising popularity of immersive virtual reality (iVR) technologies, retailers are increasingly seeking innovative ways to create unique digital shopping experiences for their consumers. However, existing literature lacks a unified and comprehensive review that examines the interplay between virtual stimuli and consumer behavior in iVR shopping environments. To fill this gap, we conducted a systematic literature review, employing the Stimulus‐Organisms‐Responses (S‐O‐R) model as the underlying theoretical framework. This review analyzed empirical research on consumer behavior in iVR retail environments by focusing on experimental studies. Following the thematic analysis, we categorized the outcomes into descriptive themes to better comprehend consumer behavior within each theme. Our findings provide valuable insights for retailers and marketers aiming to enhance the consumer shopping experience using iVR technologies and suggest directions for future research.
Evaluation of Antimicrobial and Antioxidant Potential of Oxalis corymbosa Extracts
Authors: Attique Sana , Ibrahim Muhammad , Khan Changeez , Ali Akbar , Qadir Rahman , Khan Ajmir , Al‐Salahi Rashad , Abuelizz Hatem A. , da Silva Medeiros Paulo , Moreira Sampaio Olívia , Campos Curcino Vieira Lucas 
Published: July 2024

AbstractThis work aimed to assess the antioxidant and antimicrobial properties of Oxalis corymbosa extracts. Biochemical analyses were conducted on various plant parts, utilizing enzymatic and non‐enzymatic assays. Parameters such as total soluble protein, chlorophyll, and carotenoid contents were also evaluated to elucidate the role of bioactive chemical compounds. The antimicrobial screening of extracts was performed against the bacterial and fungal strains Escherichia coli, Staphylococcus aureus, and Candida albicans, respectively. Results indicated that chlorophyll a, chlorophyll b, total chlorophyll, carotenoid content, anthocyanin content, catalase, peroxidase, and superoxide dismutase were most abundant in the O. corymbosa leaves. Moreover, total ascorbate peroxidase content, total phenolic content, and total flavonoid content were found to be higher in the roots compared to other parts. High‐performance liquid chromatography analysis identified chlorogenic acid as the major component, followed by gallic acid, caffeic acid, quercetin, and salicylic acid. Regarding antibacterial potential, each extract exhibited significant activity, with methanolic and ethyl acetate extracts demonstrating the maximum inhibition zone against S. aureus and E. coli, respectively. These findings highlight the substantial antioxidant and antibacterial potential of different parts of O. corymbosa, suggesting their promising applications as ingredients in various nutraceutical products.
Bimetallic Catalysts in Acetylene Semi‐Hydrogenation: Conceptual Advances and Challenges
Authors: Tiwari Garima , Sarkar Saibalendu , Jagirdar Balaji R. 
Published: July 2024

AbstractThe hydrogenation of acetylene to ethylene is of great industrial interest. Achieving both high selectivity and high conversion of acetylene to ethylene via semi‐hydrogenation is quite challenging. Bimetallic catalysts offer opportunities to selectively control reaction pathways by altering the electronic and geometric properties of active sites on the catalyst surface. Recent advancements in the synthesis of bimetallic catalysts enabled the creation of random alloys, intermetallics, segregated structures, or single‐site alloys with precision. These catalysts could be tailored for semi‐hydrogenation of acetylene by tuning the features including adsorption energy, active site isolation, and the d‐band center. Modern machine learning tools are also helpful for catalyst design. In this article, an overview of the conceptual advances in the design aspects of bimetallic catalysts, advances and challenges involved in the acetylene semi‐hydrogenation, has been presented.
Hollow Carbon Nanorods Modified Screen Printed Electrodes for Sensitive Lactate Biosensing
Authors: Ayni Ezgi , Dunya Hamza , Yildirim‐Tirgil Nimet 
Published: July 2024

AbstractThis novel work details the development and comprehensive characterization of a highly sensitive and selective lactate biosensor system, leveraging the modification of screen‐printed electrodes (SPEs) with hollow carbon nanorods (HCNs). The HCN synthesis involved a multi‐step procedure utilizing iron (III) oxyhydroxide (β‐FeOOH) nanorods as sacrificial templates. Extensive characterization through field emission scanning electron microscopy (FE‐SEM) and X‐ray diffraction (XRD) substantiated the successful fabrication of HCNs replete with substantial cavities. To assess the efficacy of surface modification, HCNs were applied to SPEs using drop casting and electrodeposition methods, enabling a comparative analysis of these techniques in the context of biosensor systems. Lactate detection was accomplished effectively, revealing a linear range of 1 μM to 300 μM for drop casting and 10 μM to 300 μM for electrodeposition, with corresponding limit of detection (LOD) values of 0.55 μM and 2.8 μM. The biosensor system exhibited exceptional stability, repeatability, and selectivity. Furthermore, real sample analyses employing spiked serum samples demonstrated remarkable accuracy, achieving recoveries of up to 109 % for drop casting and 111 % for electrodeposition methods. In summary, the presented HCN‐modified SPEs offer a highly sensitive, selective, and stable platform for lactate detection, showcasing their significant potential across a spectrum of applications, including clinical diagnostics and bioprocess monitoring.