bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stimuli‐Mediated Structural Interchange Between Pd6 and Pd12 Architectures: Selective Recognition of E‐Stilbene by the Pd6 Architecture and its Photoprotection
Authors: Aggarwal Medha , Banerjee Ranit , Hickey Neal , Mukherjee Partha Sarathi 
Published: August 2024

AbstractThe dynamic behaviour of metal‐ligand bonding cultivates stimuli‐mediated structural transformations in self‐assembled molecular architectures. The propensity of synthetically designed self‐assembled systems to interchange between higher‐order architectures is increased multi‐fold when the building blocks have higher conformational degrees of freedom. Herein, we report a new ligand, (2,7‐bis(di(pyridin‐4‐yl)amino)‐9H‐fluoren‐9‐one) (L), which, upon self‐assembly with a cis‐[(ethylene‐1,2‐diamine)Pd(NO3)2] acceptor (M), resulted in the formation of a M6L3 trifacial barrel (C1) in water. Interestingly, during crystallization, a rare M12L6 triangular orthobicupola architecture (C2) was generated along with C1. C2 could also be generated in solution via the application of several stimuli. C1 in aqueous media could stabilize one trans‐stilbene (tS) or cis‐stilbene (cS) molecule in its cavity, with a selectivity for the former from their mixture. Moreover, C1 acted as an effective host to prevent the otherwise facile photoisomerization of tS to cS inside its hydrophobic cavity under UV irradiation. Conversely, the visible‐light‐induced reverse isomerization of encapsulated cS to encapsulated tS could be achieved readily due to the better stabilization of tS within the cavity of C1 and its transparency to visible light. A multi‐functional system was therefore designed, which at the same time is stimuli‐responsive, shows isomer selectivity, and photo‐protects trans‐stilbene.
Six‐Membered Ring Directed Assembly of a Zirconium Zeolitic Metal–Organic Framework for Efficient Separation of Hexane Isomers
Authors: Gan Lei , Sun Beibei , Xue Chaozhuang , Fang Zhi , Xiao Zongjing , Deng Suyun , Li Pengfei , Huang Hongliang , Yang Huajun 
Published: August 2024

AbstractThe synthesis of zirconium MOFs with zeolite net is quite challenging due to the high connectivity of Zr6 clusters, which is far from tetrahedral connection, a requisite for zeolite net. In this work, we demonstrate a six‐membered ring (6MR) strategy through mimicking of mineral zeolites with mixed ditopic and tritopic carboxylate linkers. With this strategy, the ditopic linker cross‐links Zr6 clusters to form 4‐connected zeolite‐like nets, while the tritopic one is used to direct the formation of 6MR and simultaneously consumes extra coordination sites on the cluster. The feasibility of this strategy is shown by one zeolitic metal–organic framework (NNM‐5) and this strategy has also led to the synthesis of the other dia‐type zirconium MOF (NNM‐6). Interestingly, as the tritopic linker not only directs the formation of 6MR but also partitions 6MR into small segments, NNM‐5 with SOD topology shows a structural feature of small aperture and big cage, which has led to efficient separation of hexane isomers. With both exceptionally high n‐hexane uptake (65.9 cm3 g−1) and size‐exclusion selectivity, an exceptional separation capability is verified by breakthrough experiments. Calculation results demonstrate that the large difference of diffusion energy barrier due to the small aperture accounts for the underlying separation mechanism.
Cyclic Multi‐Site Chelation for Efficient and Stable Inverted Perovskite Solar Cells
Authors: He Jiandong , Yang Shuai , Luo Chao , Li Fengzhu , Jiang Xin , Liu Zhe , Feng Yishun , Wu Ruihan , Lan Zhong‐Rui , Tao Mingquan , Niu Guosheng , Yang Kaiyi , Yuan Yu , Wang Yili , Deng Xiao , Chen Yongjie , Zeng Siyuan , Zhao Yao , Wang Fuyi , Zhong Yu‐Wu , Zhang Weifeng , Zhao Qing , Liu Feng , Yu Gui , Wang Jizheng 
Published: August 2024

AbstractTrap‐assisted non‐radiative recombination losses and moisture‐induced degradation significantly impede the development of highly efficient and stable inverted (p–i–n) perovskite solar cells (PSCs), which require high‐quality perovskite bulk. In this research, we mitigate these challenges by integrating thermally stable perovskite layers with Lewis base covalent organic frameworks (COFs). The ordered pore structure and surface binding groups of COFs facilitate cyclic, multi‐site chelation with undercoordinated lead ions, enhancing the perovskite quality across both its bulk and grain boundaries. This process not only reduces defects but also promotes improved energy alignment through n‐type doping at the surface. The inclusion of COF dopants in p–i–n devices achieves power conversion efficiencies (PCEs) of 25.64 % (certified 24.94 %) for a 0.0748‐cm2 device and 23.49 % for a 1‐cm2 device. Remarkably, these devices retain 81 % of their initial PCE after 978 hours of accelerated aging at 85°C, demonstrating remarkable durability. Additionally, COF‐doped devices demonstrate excellent stability under illumination and in moist conditions, even without encapsulation.
Brush‐Like Polymeric Gels Enabled Photonic Crystals toward Ultrasensitive Cosolvent Chromism
Authors: Wu Yue , Shen Ying , Han Junyi , Théato Patrick , Le Xiaoxia , Chen Tao 
Published: August 2024

AbstractResponsive photonic crystals (RPCs) exhibit dynamic chromism upon trigger by various solvents, showing potential applications in qualitative identification and quantitative analysis of multicomponent solvents. However, distinguishing similar solvents, especially traces of cosolvents, remains challenging due to the limited sensitivity of RPCs. To address this, we herein introduce brush‐like polymeric gels inside photonic crystals, forming a brush‐like polymeric photonic gel (BPPG) that can trace tiny component changes. In this BPPG system, the acrylate backbones and polyethylene glycol (PEG) side‐chains stretch incrementally due to the cosolvency of ethanol‐water mixtures, resulting in highly sensitive chromatic responses within ethanol‐rich concentrations. With water content varying slightly from 0 to 1 vol %, the reflection wavelength of BPPG can sharply redshift over 30 nm, leading to very noticeable changes in structural color. This enhanced sensitivity makes BPPG suitable for real‐time, in situ purity monitoring of absolute ethanol during storage, transportation, and other applications.
Carbon Dot Synthesis and Purification: Trends, Challenges and Recommendations
Authors: Hu Yalei , Seivert Océane , Tang Yue , Karahan Hüseyin Enis , Bianco Alberto 
Published: August 2024

AbstractCarbon dots (CDs) have rapidly emerged as a new family of carbon‐based nanomaterials since their initial discovery two decades ago. Numerous appealing properties, such as precursor and synthesis process flexibility, tunable photoluminescence, and good biocompatibility, have enabled their widespread applications in sensing, catalysis, energy, and biomedical fields. As the field expands, notable efforts have recently focused on mechanistically elucidating the structural formation and optical behavior of CDs. However, the absence of “clean” CDs presents a major obstacle to achieving a solid understanding of these aspects. Often, the claimed CDs are, in fact, a mixture of small molecules, oligomers, nano‐sized aggregates, or even microparticles. Such coexistence of impurities markedly impacts the physicochemical properties of resulting CD‐based mixtures, hampering the resolution of key mechanistic questions. Here, we aim to address this fundamental shortcoming of the field, going beyond the customary focus of the existing reviews that predominantly cover synthesis, optical performance, and application prospects. We begin with an overview of CD synthesis and then thoroughly examine the purification methods, including filtration, dialysis, electrophoresis, and chromatography. The insights provided here will guide the researchers towards obtaining high‐quality CDs, employing proper combinations of available tools, and ultimately paving the way for more demanding applications.
Exploring the Microbial Inhibition Ability of Newly Synthesized Diorganotin(IV) Complexes of Hydrazone Ligands: Structural Elucidation, Crystal Structure, and DFT Studies
Authors: Poonia Shikha , Asija Sonika , Deswal Yogesh , Kirar Jagat Singh 
Published: August 2024

ABSTRACTIn our work, we have successfully synthesized twelve diorganotin(IV) complexes (4–15) from different hydrazone ligands and diorganotin(IV) dichlorides. The complexes have a general formula [R2SnL1–3], where R = Et, Me, Bu, and Ph groups. The hydrazone ligands (1–3) were synthesized through a condensation reaction involving 3‐ethoxysalicylaldehyde with different benzhydrazide derivatives. All the synthesized hydrazone ligands and their complexes underwent screening by employing numerous spectroscopic and physicochemical techniques, such as molar conductance measurements, mass spectrometry, (1H, 119Sn, and 13C) NMR, SEM‐EDAX, and FT‐IR. Spectroscopic analysis revealed that the hydrazone ligands were attached to tin atoms in a tridentate fashion via ONO donor atoms, suggesting a pentacoordinated geometry for the complexes. Furthermore, the X‐ray crystallography analysis for Complex 6 revealed the distorted square pyramidal geometry around the tin atom. Moreover, a DFT study was also carried out for Ligand 3 and its complexes (12–15) by employing B3LYP/LanL2DZ theory level (Gaussian 9 software package) to obtain the optimized geometry and global reactivity descriptors, structural behavior, and their efficacy against different microbes. To assess the biological efficacy of synthesized compounds, an in vitro antimicrobial assay was conducted against different fungal (Aspergillus niger and Candida albicans) and bacterial (Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa) strains. The results of the antimicrobial assay demonstrated that Complexes 7, 11, and 15 depicted better results against E. coli strain and C. albicans strain, implying that the higher lipophilic character of these complexes facilitates their easy passage through the cell membrane of microbes. Furthermore, an ADMET study was carried out to evaluate the toxicity score of synthesized compounds.
ZnO‐doped kaolin nanoclay immobilized agar biopolymer for 2,4‐dinitrophenol photocatalytic degradation
Authors: Hasan Imran , Bassi Akshara , Kalakonda Parvathalu , Kanungo Kushal 
Published: August 2024

AbstractThis study focuses on enhancing the properties of kaolin (Kao) clay by incorporating Zinc oxide nanoparticles (ZnO NPs) and further functionalizing with agar biopolymer, resulting in the formation of Agar/Kao@ZnO nanocomposite (NC). The synthesized material underwent comprehensive composition, structure, surface, and optical properties analysis to confirm the formation. The material was evaluated as a photocatalyst for the degradation of 2,4‐dinitrophenol (DNP) under visible light irradiation. The optimized conditions for the photocatalytic degradation of DNP were determined as irradiation time 50 minutes, pH 4, catalyst dose 20 mg, and DNP concentration of 25 mg L−1, resulting in degradation efficiency of 99.63%. Trapping experiment validated the significant role of hydroxyl (•OH) radicals as reactive oxidant species (ROS) in the degradation of DNP in the presence of visible light. Through four consecutive cycles of reusability experiments, it was confirmed that the synthesized material is highly stable and efficient for DNP degradation.
Building culturally meaningful chronologies: negotiating Indigenous and Western temporalities in Oceania
Authors: Urwin Chris , Russell Lynette , Skelly Robert 
Published: August 2024

ABSTRACTThis paper examines some of the ways in which Indigenous and Western archaeological chronologies are being negotiated and entwined in Oceania. Indigenous pasts are often known through oral traditions, genealogies and ancestral landscapes; these are vital pasts populated by the ancestors. The archaeological past is often interpreted through taphonomy, stratigraphy and direct dating techniques. There are tensions and intersections between these perspectives, and research partnerships between archaeologists and Indigenous communities must negotiate how to build chronologies and narrate the past. Drawing on case studies from our research in Australia and Papua New Guinea, we discuss how these seemingly different ways of knowing the past can be brought into productive conversation and how these understandings are transforming today. We argue that incorporating diverse temporalities for ancestral places can generate richer historical narratives of value to communities and researchers.
Attention to carbon footprints in food choices and the crowding out effect of attention‐leading nudges
Authors: Lemken Dominic , Asioli Daniele , Schoppa Frederick 
Published: August 2024

AbstractConsumer attention to carbon footprint labels may trigger efforts to adjust the agri‐food sector toward more sustainable production. To assess attention levels, we used milk and bread products in an information display matrix (IDM), allowing consumers to direct attention or ignore various food product attributes. Our method improved upon previous IDM applications by introducing real‐world complexity, featuring 25 attributes per product and multiple trade‐offs. A randomizer ensured fairness by determining the order of attribute display. Results show that carbon footprints are not the primarily attended attributes. A salience nudge favoring carbon footprints directs attention to it but halves the attention paid to more holistic environmental footprints. We discuss strategies to promote environmental dimensions jointly and provide implications and recommendations for future labeling policies and marketing strategies.
Concurrent chemoradiotherapyof different radiation doses and different irradiation fields for locally advanced thoracic esophageal squamous cell carcinoma: A randomized, multicenter, phase III clinical trial
Authors: Zhang Jian , Li Minghao , Zhang Kaixian , Zheng Anping , Li Guang , Huang Wei , Chen Shaoshui , Chen Xiangming , Li Xiaomin , Sheng Yanxing , Sun Xinchen , Liu Liping , Liu Xiaowei , Li Jie , Wang Jun , Ge Hong , Ye Shucheng , Pang Qingsong , Zhang Xianwen , Dai Shengbin , Yu Richard , Gu Wendong , Dai Mingming , Siqin Gaowa , Han Yunwei , Ge Xiaolin , Yuan Xin , Yang Yongjing , Zhu Haiwen , Pu Juan , Dong Lihua , Sun Xiangdong , Zhou Jundong , Mao Weidong , Gao Fei , Lin Haiqun , Gong Heyi , Zhou Tao , Li Zhenjiang , Li Hongsheng , Wang Zhongtang , Li Baosheng 
Published: August 2024

AbstractBackgroundConcurrent chemoradiotherapy (CCRT) is the standard treatment for locally advanced esophageal squamous cell carcinoma (ESCC). However, the optimal radiotherapy regimen, particularly in terms of total dose and planned range of irradiation field, remains unclear. This phase III clinical trial aimed to compare the survival benefits between different radiation doses and different target fields.MethodsThis trial compared two aspects of radiation treatment, total dose and field, using a two‐by‐two factorial design. The high‐dose (HD) group received 59.4 Gy radiation, and the standard‐dose (SD) group received 50.4 Gy. The involved field irradiation (IFI) group and elective nodal irradiation (ENI) group adopted different irradiation ranges. The participants were assigned to one of the four groups (HD+ENI, HD+IFI, SD+ENI and SD+IFI). The primary endpoint was overall survival (OS), and the secondary endpoints included progression‐free survival (PFS). The synergy indexwas used to measure the interaction effect between dose and field.ResultsThe interaction analysis did not reveal significant synergistic effects between the dose and irradiation field. In comparison to the target field, patients in IFI or ENI showed similar OS (hazard ratio [HR] = 0.99, 95% CI: 0.80‐1.23, p = 0.930) and PFS (HR = 1.02, 95% CI: 0.82–1.25). The HD treatment did not show significantly prolonged OS compared with SD (HR = 0.90, 95% CI: 0.72–1.11, p = 0.318), but it suggested improved PFS (25.2 months to 18.0 months). Among the four groups, the HD+IFI group presented the best survival, while the SD+IFI group had the worst prognosis. No significant difference in the occurrence of severe adverse events was found in dose or field comparisons.ConclusionsIFI demonstrated similar treatment efficacy to ENI in CCRT of ESCC. The HD demonstrated improved PFS, but did not significantly improve OS. The dose escalation based on IFI (HD+IFI) showed better therapeutic efficacy than the current recommendation (SD+ENI) and is worth further validation.
Hybrid attention adaptive sampling network for human pose estimation in videos
Authors: Song Qianyun , Zhang Hao , Liu Yanan , Sun Shouzheng , Xu Dan 
Published: August 2024

AbstractHuman pose estimation in videos often uses sampling strategies like sparse uniform sampling and keyframe selection. Sparse uniform sampling can miss spatial‐temporal relationships, while keyframe selection using CNNs struggles to fully capture these relationships and is costly. Neither strategy ensures the reliability of pose data from single‐frame estimators. To address these issues, this article proposes an efficient and effective hybrid attention adaptive sampling network. This network includes a dynamic attention module and a pose quality attention module, which comprehensively consider the dynamic information and the quality of pose data. Additionally, the network improves efficiency through compact uniform sampling and parallel mechanism of multi‐head self‐attention. Our network is compatible with various video‐based pose estimation frameworks and demonstrates greater robustness in high degree of occlusion, motion blur, and illumination changes, achieving state‐of‐the‐art performance on Sub‐JHMDB dataset.
Case of widespread and atypical cutaneous leishmaniasis in a young woman with breast cancer
Authors: Mohaghegh Fatemeh , Mokhtari Fatemeh , Sherafat Fereshteh , Shoushtarizadeh Mohammad , Tabatabaei Elham Tavousi 
Published: August 2024

Key Clinical MessageCutaneous leishmaniasis is caused by protozoan parasites of the genus leishmania. Atypical presentation and widespread progression of the lesions may be seen in an immunocompromised patient. We report a case of atypical and widespread cutaneous leishmaniasis in a young woman with breast cancer.
Gold Catalysts for Selective Hydrogenations: The Role of Heterolytic H2 Dissociation
Authors: Luiz Fiorio Jhonatan , Guerra Raíza Rosa Garcia , Martín‐Matute Belén , Rossi Liane Marcia 
Published: August 2024

AbstractHydrogenations are fundamental transformations in organic synthesis, and the industrial applications span from food, petrochemical, fine chemicals to pharmaceuticals synthesis where hydrogenations of multifunctional molecules should be carried out in a chemoselective way. In this concept article we aim at providing an overview on the activation of molecular hydrogen (H2) via heterolytic dissociation, which is responsible to unlock high activity of gold catalysts for chemoselective hydrogenations. The key benefit of heterolytically dissociated H species is their preference for hydrogenating polar unsaturated groups like C=O, C=N, and C=S, as these polar bonds are ideal acceptors for proton and hydride pairs. We will provide examples on how to obtain enhanced chemoselectivity on alkynes, α, β‐unsaturated aldehydes and nitro‐compounds hydrogenations with gold catalysts.
One‐Pot Synthesis of (S)‐Flavanones by a Double‐Face Promiscuous Chemo‐Enzymatic Cascade of Lipases
Authors: Ubertini Valentina , Capecchi Eliana , Tomaino Elisabetta , Piccinino Davide , Marchi Elisa De , Bizzarri Bruno Mattia , Carotenuto Giovanni , Castrignanò Tiziana , Saladino Raffaele 
Published: August 2024

AbstractThe one‐pot stereoselective synthesis of (S)‐flavanones from 2′‐hydroxyacetophenone and substituted aromatic aldehydes was obtained by a double‐face promiscuous chemo‐enzymatic cascade of porcine pancreas and Mucor javanicus lipases. The reaction pathway comprises: A) cross‐aldol condensation catalysed by porcine pancreas lipase to yield chalcone intermediates; B) unprecedented intramolecular oxa‐Michael addition of chalcone intermediates to (S)‐flavanones. Mucor javanicus lipase was the most effective enzyme in step B. Imidazole and 2‐methylimidazole were studied as additive in order to improve the efficacy of the overall transformation. The sustainability of the chemo‐enzymatic cascade was increased by immobilization of lipases on cross‐linked hydroxy‐methylated kraft lignin nanoparticles, by use of concanavalin A. Immobilization conferred considerable stability and reusability at the system for 4 runs. Noteworthy, the reaction mixture was significantly enriched in (S)‐flavanones under both homogeneous and heterogeneous conditions. Computational studies encompassing docking and molecular dynamic analyses showed the role played by evolutionary conserved oxyanion holes and catalytic triad of Mucor javanicus lipase in the stereocontrol of the intra‐molecular oxa‐Michael addition.
Study on the Flow and Heat Transfer Performance of Microchannel Heat Exchangers With Different Elliptical Concave Cavities
Authors: Hou Tingbo 
Published: August 2024

AbstractEllipticity has a significant impact on the flow and heat transfer performance of microchannel heat exchangers (MHEs) with elliptical concave cavities. In this study, five types of MHEs with different elliptical concave cavities (ellipticities of 0.4, 0.6, 0.8, 1.0, and 1.2) were designed. The influence of ellipticity on the flow and heat transfer performance of MHEs was numerically investigated using ANSYS Fluent 21.0 R1. Moreover, MHEs with corresponding elliptical concave cavities structures were processed and manufactured, and then an experimental platform was designed and built for experimental verification. The results showed that the fluid velocity distribution in MHEs with elliptical concave cavities was symmetrical, and the formation of secondary flow in the elliptical concave cavities led to the continuous destruction and reconstruction of the flow and thermal boundary layer in the microchannel, which is conducive to mass and heat transfer in the MHEs with elliptical concave cavities. The inlet and outlet pressure drop of MHEs with elliptical concave cavities increased as the inlet flow rate increased. At the same inlet flow rate, the inlet and outlet pressure drop of the MHE with elliptical concave cavities first increased and then decreased with increasing ellipticity. At an ellipticity of 1.0, the inlet and outlet of MHE exhibited the lowest pressure drop indicating that the MHE with an ellipticity of 1.0 featured the highest pressure drop performance. The cold‐water outlet temperature of the MHEs with elliptical concave cavities first decreased and then increased as the inlet flow rate increased. At the same inlet flow rate, the cold‐water outlet temperature of the MHEs with elliptical concave cavities first increased and then decreased with increasing ellipticity, while the hot‐water outlet temperature of the MHEs first decreased and then increased with increasing flow rate. This indicated that the MHE with an ellipticity of 1.0 exhibited excellent heat transfer performance.