bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pyroptosis‐Inducing Biomaterials Pave the Way for Transformative Antitumor Immunotherapy
Authors: Yin Hao , Chen Tanzhou , Hu Xiaoqu , Zhu Wenting , Li Yida , Sun Wenjie , Li Lei , Zhang Hongmei , Wang Qinyang 
Published: November 2024

AbstractPyroptosis can effectively overcome immunosuppression and reactivate antitumor immunity. However, pyroptosis initiation is challenging. First, the underlying biological mechanisms of pyroptosis are complex, and a variety of gasdermin family proteins can be targeted to induce pyroptosis. Second, other intracellular death pathways may also interfere with pyroptosis. The rationally designed gasdermin protein‐targeting biomaterials are capable of inducing pyroptosis and have the capacity to stimulate antitumor immune function in a safe and effective manner. This review provides a comprehensive overview of the design, function, and antitumor efficacy of pyroptosis‐inducing materials and the associated challenges, with a particular focus on the design options for pyroptosis‐inducing biomaterials based on the activation of different gasdermin proteins. This review offers a valuable foundation for the further development of pyroptosis‐inducing biomaterials for clinical applications.
Pore Structure Modulation in Kirigamic Zeolitic Imidazolate Framework
Authors: Nam Joohan , Jin Eunji , Abylgazina Leila , Getzschmann Jürgen , Xue Wen‐Long , Kyu Lee Hong , Oh Hyunchul , Ri Moon Hoi , Henke Sebastian , Schneemann Andreas , Choe Wonyoung 
Published: November 2024

AbstractPaper crafts, such as origami and kirigami, have become an interdisciplinary research theme transportable from art to science, and further to engineering. Kirigami‐inspired architectural design strategies allow the establishment of three‐dimensional (3D) mechanical linkages with unprecedented mechanical properties. Herein, we report a crystalline zeolitic imidazolate framework (ZIF), displaying folding mechanics based on a kirigami tessellation, originated from the double‐corrugation surface (DCS) pattern. Pressure‐ and guest‐induced responses demonstrate the kirigami mechanism of the ZIF, wherein imidazolate linkers act as hinges, controlling pore dimensionality, resembling the check valve‐adapted mechanical manifold. This discovery of the kirigami tessellation inside a flexible ZIF reveals foldable mechanics at the molecular level.
Data, not documents: Moving beyond theories of information‐seeking behavior to advance data discovery
Authors: Million Anthony J. , York Jeremy , Lafia Sara , Hemphill Libby 
Published: November 2024

AbstractMany theories of human information behavior (HIB) assume that information objects are in text document format. This paper argues four important HIB theories are insufficient for describing users' search strategies for data because of assumptions about the attributes of objects that users seek. We first review and compare four HIB theories: Bates' berrypicking, Marchionni's electronic information search, Dervin's sense‐making, and Meho and Tibbo's social scientist information‐seeking. All four theories assume that information‐seekers search for text documents. Next, we compare these theories to search behavior by analyzing Google Analytics data from the Inter‐university Consortium for Political and Social Research (ICPSR). Users took direct, scenic, and orienting paths when searching for data. We also interviewed ICPSR users (n = 20), and they said they needed dataset documentation and contextual information to find data. However, Dervin's sense‐making alone cannot explain the information‐seeking behaviors that we observed. Instead, what mattered most were object attributes determined by the type of information that users sought (i.e., data, not documents). We conclude by suggesting an alternative frame for building user‐centered data discovery tools.
Design and Synthesis of Dual Galectin‐3 and EGFR Inhibitors Against Liver Fibrosis
Authors: Liu Shuanglin , He Fei , Jin Can , Li Qing , Zhao Guilong , Ding Kan 
Published: November 2024

AbstractLiver fibrosis, mainly arising from chronic viral or metabolic liver diseases, is a significant global health concern. There is currently only one FDA‐approved drug (Resmetirom) in the market to combat liver fibrosis. Both galectin‐3 and epidermal growth factor receptor (EGFR) play important roles in liver fibrosis, while galectin‐3 may interact with EGFR. Galectin‐3 inhibitors, typically lactose or galactose derivatives may inhibit liver fibrosis. We hypothesized that targeting both galectin‐3 and EGFR may have better effect against liver fibrosis. Here, EGFR inhibitor erlotinib was used in a series of designed galectin‐3 inhibitors after hybridization with the pharmacophore structure in reported galectin‐3 inhibitors to impede hepatic stellate cells (HSCs) activation by a typical method of click chemistry. Bioactivity test results showed that compound 29 suppressed TGF‐β‐induced upregulation of fibrotic markers (α‐SMA, fibronectin‐1, and collagen I). The preferred compound 29 displayed better binding to galectin‐3 (KD=52.29 μM) and EGFR protein (KD=3.31 μM) by SPR assay. Further docking studies were performed to clarify the possible binding mode of compound 29 with galectin‐3 and EGFR. Taken together, these results suggested that compound 29 could be a potential dual galectin‐3 and EGFR inhibitor as leading compound for anti‐liver fibrosis new drug development.
π‐Conjugation as a Direct Estimate of Lewis Acidity
Authors: González‐Pinardo Daniel , Fernández Israel 
Published: November 2024

AbstractA computational approach to directly estimate the relative acidity of a given Lewis acid is presented. This approach is based on the strength of the π‐conjugation in trans‐crotonaldehyde‐Lewis acid complexes, the species used in the well‐known Childs’ Lewis acidity scale. It is found that the π‐conjugative strength values given by the Energy Decomposition Analysis – Natural Orbital for Chemical Valence method strongly correlate not only with the variation of the bond lengths in the system, which are greatly affected by the nature of the Lewis acid, but also with the downfield shifts experienced by the different nuclei of the conjugated system upon binding to the Lewis acid. These strong correlations indicate that the (easy‐to‐compute) π‐conjugation energies can be used as an alternative Lewis acidity scale.
Comparison of oxygen evolution reaction performance for Ni and Co using isostructural trans‐cinnamate complexes
Authors: Shin Hyewon , Geum Sunwoo , Lee Jimin , Shin Minkyun , Ok Kang Min , Kwon Seong Jung , Do Junghwan 
Published: November 2024

AbstractEfforts are underway to develop highly active catalysts to reduce the high overpotential of the oxygen evolution reaction (OER). Metal–organic frameworks or coordination polymers are promising candidates because of their tunable structures and high surface areas. In this study, Nickel and Cobalt trans‐cinnamate (t‐ca) were synthesized via a hydrothermal method. Their structures were analyzed and found to be isostructural. Both complexes exhibited superior electrocatalytic properties in the OER compared to those of IrO2, with overpotentials of 373 and 390 mV and Tafel slopes of 58 and 66 mV/dec. These excellent characteristics were attributed to the electron delocalization of the metal centers via interactions with π‐π delocalized organic ligands. Ni t‐ca, with stronger ligand interactions, displayed an enhanced OER catalytic performance, emphasizing the importance of metal–ligand interactions and suggesting that further exploration of diverse π–π delocalized organic ligands and metal centers may lead to further advancements in electrocatalytic activity.
Unraveling Water‐Soluble Constituents of Basil (Ocimum basilicum L.) in Relation to Their Toxicity and Anti‐Typhoidal Activity in Mouse Models
Authors: Yadav Kamlesh , Srivastava Shubham , Pant Yatish , Lal Raj K , Mishra Anand , Bawitlung Laldingngheti , Srivastava Deepika , Pal Anirban , Chanotiya C. S. 
Published: November 2024

AbstractPlants are the major source of natural flavour ingredients reported for their wide applications in food and pharmaceuticals, oral care and wellness products, etc. We have investigated the water‐soluble fractions (WSF) of basil tetraploid (O. basilicum L.) for their toxicity and biological potential against Salmonella Typhimurium, a pathogen causing around one million cases of illnesses in the United States every year. The WSF obtained using a Clevenger‐type apparatus was further divided into two equal parts, one each for in‐vivo toxicity evaluation and quality assessments, respectively. The proportions of major phenylpropanoid identified as meta‐eugenol in the WSF were found in the range of 42.8–57.9 %, which was substantially in higher proportion as compared to essential oil (20.9–23.0 %). Based on sub‐acute oral toxicity data, WSF has not shown any adverse effect with levels as high as 500 μL/25 g body weight in Swiss albino mice. Besides, the WSF also exhibited a maximum reduction in bacterial load in mice infected with Salmonella Typhimurium in a dose‐dependent manner. We have shown the biological potential of basil water‐soluble fraction as an effective bacterial load‐suppressing agent for the prevention of Salmonella infections in animal model.
Identification of New Compounds from the Roots of Rubia tibetica Hook. f.
Authors: Li Qing , Gu Min‐Min , Zhang Yu , Wang Jin , Su Yun‐Yun , Yu Hao‐Lin , Xu Chen‐Sen , Liao Zhi‐Xin 
Published: November 2024

AbstractRubia tibetica Hook. f is a traditional Tibetan medicinal plant, with its roots serving as the primary medicinal part. Two new compounds, Rubiaxylm C and E (1 and 3), and one new natural compound, Rubiaxylm D (2) were isolated from R. tibetica, along with five known compounds (4–8). The structures of the previously undescribed compounds were elucidated by HR‐ESIMS, 1D/2D NMR spectroscopic data and electronic circular dichroism calculations. Compound 1 is a rare anthrone substituted with a carbonyl group at position 1. Furthermore, all isolated compounds were tested for their cytotoxicity against HepG2 cell lines.
Dry Reforming of Methane on Low‐Loading Rh Catalysts
Authors: Tsuchida Ryuhei , Kurokawa Hideki , Yamamoto Tomokazu , Ogihara Hitoshi 
Published: November 2024

AbstractDry reforming of methane (DRM) is a promising catalytic process for converting greenhouse gases (CH4 and CO2) into syngas (CO and H2). This study investigates DRM under moderate conditions (550 °C) using supported low‐loading (0.05 wt%) metal (M) catalysts (M = Rh, Ru, Pt, Pd, Ir, Au, and Ni). The reaction was carried out for 6 h with a flow rate of 30 mL/min for both CH4 and CO2, using 0.10 g of catalyst. Among these catalysts, 0.05 wt% Rh/Al2O3 exhibited the highest DRM activity. The effect of catalyst supports revealed that Al2O3 is the most effective support for 0.05 wt% Rh. The DRM activity of Rh species supported on Al2O3 and SiO2 was compared, and the Rh species on Al2O3 outperformed those on SiO2, indicating Al2O3 enhances the DRM activity of Rh. When comparing the DRM activity of Rh nanoparticles and Rh single atoms, it was suggested that Rh nanoparticles might exhibit superior performance for DRM. Coke deposited on 0.05 wt% Rh/Al2O3 is removed by CO2, maintaining stable catalytic activity. These findings provide valuable insights into the design of catalysts that minimize the use of noble metals in DRM reactions.
Photoinduced EDA Complex‐Initiated Synthesis of Fluoroalkylated Isoquinolinonediones
Authors: Huang Lei , Wang Chaodong , Chen Zhi , Jin Qianxi , Song Shengjie , Zhou Jiadi , Li Jianjun 
Published: November 2024

AbstractA visible‐light‐induced radical tandem difluoroalkylation/cyclization to construct CF2‐containing isoquinolinonedione skeletons with methacryloyl benzamides is developed. Broad substrate scopes are compatible with metal‐, oxidant‐ and photocatalyst‐free conditions under room temperature in good‐to‐excellent yields. Mechanistic analysis revealed that the transformation is initiated by photoinduced electron donor‐acceptor (EDA) complexes formation.
Sonodynamic Cancer Therapy by Mn(I)‐tricarbonyl Complexes via Ultrasound‐triggered CO Release and ROS Generation
Authors: Kumar Yadav Ashish , Singh Virendra , Acharjee Sagar , Saha Sukanta , Kushwaha Rajesh , Dutta Arnab , Koch Biplob , Banerjee Samya 
Published: November 2024

AbstractA novel ferrocene conjugated Mn(I)‐tricarbonyl complex viz [Mn(Fc‐tpy)(CO)3Br] (Mn2) where, Fc‐tpy=4′‐ferrocenyl‐2,2′:6′,2′′‐terpyridine was synthesized and fully characterized along with its non‐ferrocene analog [Mn(Ph‐tpy)(CO)3Br] Ph‐tpy=4′‐phenyl‐2,2′:6′,2′′‐terpyridine (Mn1) for ultrasound (US) activated anticancer applications. The X‐ray structure of Mn2 confirmed its distorted octahedral geometry. Mn1 and Mn2, for the first time, showed US‐triggered release of CO and ROS generation (1O2 and ⋅OH) in an aqueous solution from any Mn(I)‐tricarbonyl complexes, indicating its potential for synergetic CO gas therapy and sonodynamic therapy. The above‐mentioned in‐solution chemistry was successfully translated into in vitro cellular models. These complexes showed unprecedented US‐triggered toxicity against T‐cell lymphoma and human breast cancer cells (IC50 for Mn2<1 μM) while were minimally toxic without US or against normal spleen and human embryonic kidney cells. Mn2 was ca. 12 fold more anticancer active than Mn1, indicating that the ferrocene conjugation augmented the US sensitivity. The apoptotic sonotoxicity of Mn2 was due to US‐promoted mitochondrial depolarization via ROS generation and CO release. The apoptosis was triggered by caspase 3 activation. This is the first report of Mn(I)‐tricarbonyl‐based sonosensitizers for cancer SDT. Overall, this study, for the first time, establishes the effectiveness of 3d metal carbonyls in SDT.
Molecular Engineering for High‐Performance X‐ray Scintillators
Authors: Wang Min , Qin Xu Guo , Liu Xiaogang 
Published: November 2024

AbstractX‐ray scintillators, materials that convert high‐energy radiation into detectable light in the ultraviolet to visible spectrum, are widely used in industrial and medical applications. Organic and organic‐inorganic hybrid systems have emerged as promising alternatives for X‐ray detection and imaging due to their mechanical flexibility, lightweight, tunable excited states, and solution processability for large‐scale fabrication. However, these systems often suffer from weak X‐ray absorption and insufficient exciton utilization, which seriously affects their scintillation performance, limiting their potential for broader application and commercialization. This review highlights recent advances in molecular engineering for developing high‐performance X‐ray scintillators. It focuses on molecular design principles, such as the heavy atom effect, donor‐acceptor/host‐guest strategies, hydrogen/halogen bonding, molecular sensitization, and crystal packing, for enhancing scintillation performance. By leveraging these approaches, researchers have made significant strides in improving X‐ray scintillation efficiency and advancing the potential of these materials for commercial applications.
Preparation of adaptive bifunctional reconfigurable polymers and their sand carrying and drag reduction behaviour
Authors: Zhou Chengyu , Wu Yani , Chen Yating , Sun Yuan , Yang Chunming , Yu Mengjie , Bao Dan , Xiao Ying , He Jie 
Published: November 2024

AbstractIn order to solve the problem of drag reduction at the front end of shale fractures and sand carrying at the tail end with increased viscosity, the molecular dynamics simulation (MD) method was used to design polymer molecules and simulate the steric resistance, interaction potential energy, mean square displacement, and radial distribution function of the polymer. The polymer AM‐AMPS‐LMA‐DiC12AM (ASLC12) with better solubility, diffusion, and resistance reduction potential was obtained and synthesized. By scanning electron microscope (SEM) and viscoelastic analysis, ASLC12 has a stable mesh structure, good viscoelasticity, and shear resistance, and the mesh structure formed by it is in a dynamic equilibrium state of fracture‐reorganization under shear. We then analyzed the drag reduction, sand carrying, and salt resistance of ASLC12. When the concentration of ASLC12 is 0.09%, the sand‐carrying requirement is satisfied. When the concentration is 0.05%, the drag reduction rate can reach 74.1%, and the resistance reduction rate of ASLC12 in salt ion solution can still reach more than 62%. This shows that the polymer ASLC12 has better sand carrying, drag reduction, and salt resistance.
PROTOCOL: Effectiveness of social accountability interventions in low‐ and middle‐income countries: An evidence and gap map
Authors: Hassan Mirza , White Howard , Zahan Iffat , Saran Ashrita , Ahmed Shamael , Rahman Semab , Zubaid Shabnaz 
Published: November 2024

AbstractThis is the protocol for an evidence and gap map, which aims to map the existing evidence on the effectiveness of social accountability interventions in low‐ and middle‐income countries. This map will help users identify the size and quality of the evidence base, guide strategic program development, and highlight gaps for future research. The map will cover studies published after 2000, including systematic reviews, randomized controlled trials, non‐experimental designs, and before‐after designs.
Complete Visibility Algorithms of Luminous Robots With Two‐Color Lights on Grid
Authors: Kim Yonghwan , Katayama Yoshiaki , Wada Koichi 
Published: November 2024

ABSTRACTAn autonomous mobile robot system is a distributed system consisting of multiple mobile computational entities, called robots, which autonomously and repeatedly perform three fundamental operations: look, compute, and move. Various challenges in such systems, including gathering, pattern formation, and flocking, have been extensively studied to explore the relationship between the robots' capabilities and the feasibility of solving these problems (i.e., solvability). In this study, we focus on the complete visibility problem, which aims to relocate all robots on an infinite grid plane so that every robot is visible to every other robot (i.e., complete visibility). We assume that each robot is a luminous robot (i.e., has a light with a constant number of colors) and opaque (non‐transparent). This paper primarily examines the number of light colors required for each robot to solve the complete visibility problem. Specifically, we investigate the question: “how many colors can we reduce while still achieving complete visibility?” (even under certain stronger assumptions). As an answer to the above question, we show the existence of a deterministic algorithm to achieve complete visibility (i.e., every robot can observe all the other robots) using only two colors of light, if the robots agree on the directions and orientations of both axes. The proposed algorithm correctly works even if robots operate asynchronously and have no knowledge of the total number of robots. Moreover, its spatial complexity (i.e., the area of the smallest enclosed rectangle that includes all robots in the final configuration) ensures the optimal one, , where is the number of robots.
Meta‐Connected Oligo‐Azobenzenes Outperform Their Para Counterparts
Authors: Oberhof Nils , Darian Leon Kambiz Paschai , Dreuw Andreas 
Published: November 2024

AbstractSystems with multiple photoswitchable units in one molecule have attracted considerable attention in the past years as they are useful for a broad variety of possible applications. Especially, linked azobenzenes sharing one benzene ring are of high interest since their direct linkage introduces an additional photoswitchable unit at only small increase in molecular weight. In this spirit, linear oligo‐azobenzenes had been synthesized, though their photochemical properties have only been investigated for short chain lengths. In this study, we use (time‐dependent) density functional methodology for the evaluation of the excitations of meta‐ and para‐connected oligo‐azobenzenes to predict their switching ability. It becomes apparent, that the meta connection pattern enables each azobenzene subunit to act as an individual switchable unit, whereas they are strongly coupled and loose their individuality in para connection. Therefore, meta‐oligo‐azobenzenes are ideal candidates for future studies of azobenzene‐based functional polymers, while para‐oligo‐azobenzenes are not.
Purification of Li2CO3 Obtained through Pyrometallurgical Treatment of NMC Black Mass from Electric Vehicle Batteries
Authors: Rosso Laura , Alcaraz Lorena , Rodríguez‐Largo Olga , López Félix A. 
Published: November 2024

AbstractThe recycling of lithium batteries is essential for a sustainable energy transition. However, impurities in the products obtained from the black mass can lower their market value. In this work, lithium carbonate, which has the highest market share among lithium‐based products, is purified using distilled water at controlled temperature, time and stirring speed. The purification process involves dissolving lithium carbonate in distilled water at low temperatures (between 0 and 10 °C), followed by crystallization through water evaporation. Optimal conditions yielded lithium carbonate with a purity of 99.66 % after two stages of purification. The dependence of the variables on the final purity was deeply analyzed and the thermodynamics of the reaction was studied, confirming the exothermic nature of the dissolution reaction.
Multitrophic Diversity of the Biotic Community Drives Ecosystem Multifunctionality in Alpine Grasslands
Authors: Su Hongye , Wang Zhen , Ma Li , Qin Ruimin , Chang Tao , Zhang Zhonghua , Yao Junfei , Li Xudong , Li Shan , Hu Xue , Wei Jingjing , Yuan Fang , Adi Haze , Shi Zhengchen , Li Honglin , Zhou Huakun 
Published: November 2024

ABSTRACTBiodiversity and ecosystem multifunctionality are currently hot topics in ecological research. However, little is known about the role of multitrophic diversity in regulating various ecosystem functions, which limits our ability to predict the impact of biodiversity loss on human well‐being and ecosystem multifunctionality. In this study, multitrophic diversity was divided into three categories: plant, animal, and microbial communities (i.e., plant diversity, rodent diversity, and bacterial and fungal diversity). Also, 15 ecosystem functions were divided into four categories—water conservation, soil fertility, nutrient cycling and transformation, and community production—to evaluate the significance of biotic and abiotic variables in maintaining ecosystem multifunctionality. Results indicated that species diversity at multiple trophic levels had a greater positive impact on ecosystem multifunctionality than species diversity at a single trophic level. Notably, the specific nature of this relationship depended on the niche breadths of plants, indicating that plants played a key role in linking above and belowground trophic levels. Abiotic factors such as altitude and pH directly acted on ecosystem multifunctionality and could explain changes in ecosystem functions. Overall, our study offers valuable insights into the critical role of multitrophic species diversity in preserving ecosystem multifunctionality within alpine grassland communities, as well as strong support for the importance of biodiversity protection.