bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Biomimetic, Biocompatible OECT Sensor for the Real‐Time Measurement of Concentration and Saturation of Ions in Plant Sap
Authors: Gentile Francesco , Vurro Filippo , Janni Michela , Manfredi Riccardo , Cellini Francesco , Petrozza Angelo , Zappettini Andrea , Coppedè Nicola 
Published: June 2022

AbstractCurrently, the transport of ions and nutrients in the plant stem is determined by destructive techniques or by radiolabeled compounds. Here, materials science and mathematical modeling have been combined to develop a sensor device that can monitor in real time and simultaneously the concentration of ions and the saturation in the plant's xylem. The device, based on the technology of organic electrochemical transistors, is biomimetic, biocompatible, low‐cost, and minimally invasive. The mathematical model decodes the sensor's response and decouples the effects of concentration and saturation over time. In this work, this scheme is demonstrated by monitoring the condition of tomato plants subjected to vapor pressure deficit for 16 d, and to drought and salt stress for up to 25 d. Results of the work have the potential to impact on the analysis of plant's physiology, improve water use efficiency in small and large‐scale agriculture, and maximize yield with a minimum amount of fertilizer/nutrients.
Local food in times of crisis: The impact of COVID‐19 and two reinforcing primes
Authors: Vecchi Martina , Jaenicke Edward C. , Schmidt Claudia 
Published: June 2022

AbstractUsing an online survey experiment and a sample of 1650 participants from the Mid‐Atlantic region in the United States, we investigate the effects of COVID‐19 and two reinforcing primes on preferences for local food and donations to support farmers, farmers markets, and a food‐relief program. At the beginning of the survey, we induce a subset of participants to think about the impact of the COVID‐19 pandemic on either their personal life, finances, and health or on their local community and its members. Both primes increase participants’ levels of anxiety and slightly reduce their sense of community. Additionally, both primes significantly decrease the hypothetical price premium participants are willing to pay for local food, that is, both for fruits and vegetables and for meat products. The primes do not significantly affect the amount donated to charitable organizations, except when controlling for participants’ own experiences with COVID‐19. While priming increases donations for some participants, it decreases donations for those with a “strong” COVID‐19 experience, especially for the food relief program. [EconLit Citations: C90, Q19].
Risk perception and terrestriality in primates: A quasi‐experiment through habituation of chacma baboons (Papio ursinus) in Gorongosa National Park, Mozambique
Authors: Hammond Philippa , Lewis‐Bevan Lynn , Biro Dora , Carvalho Susana 
Published: June 2022

AbstractObjectivesHabituation is a common pre‐requisite for studying noncaptive primates. Details and quantitative reporting on this process are often overlooked but are useful for measuring human impact on animal behavior, especially when comparing studies across time or sites. During habituation, perceived risk of a stimulus—human observers—is assumed to decline with repeated exposure to that stimulus. We use habituation as a quasi‐experiment to study the landscape of fear, exploring relationships between actual risk, perceived risk, mediating environmental variables, and behavioral correlates.Materials and MethodsWe recorded vocalizations and observer‐directed vigilance as indicators of perceived risk during habituation of two troops of chacma baboons (Papio ursinus) in Gorongosa National Park, Mozambique. Here, we model changes in these variables as a function of habituation time, troop, time of day, and habitat features. We also model the relationship between each of the anti‐predator behaviors and ground‐use, exploring whether they predict greater terrestriality in the baboons.ResultsIn both troops, vocalization rates and observer‐directed vigilance declined with cumulative exposure to observers, but were heightened later in the day and in denser habitat types. We found that terrestrial activity was negatively related to levels of both vocalizations and observer‐directed vigilance.DiscussionThis study provides a quantitative assessment of the impact of human observation on primate behavior and highlights environmental variables that influence anti‐predator behaviors, perhaps indicating heightened perception of risk. The relationship between perceived risk and terrestriality is significant for understanding the evolution of this rare trait in primates.
Modeling the through‐thickness frontal polymerization of unidirectional carbon fiber thermoset composites: Effect of microstructures
Authors: Wang Yeqing 
Published: June 2022

AbstractThe frontal polymerization is a technique that creates a self‐sustaining “cure front” that propagates through the thermoset resin material. Such a technique is potentially capable of substantially reducing the curing time of thermoset resin fiber composites from several hours to only a few minutes or even seconds, which is promising for the additive manufacturing and repair of thermoset fiber composites. In this study, the effect of the microstructures (i.e., fiber volume fraction, fiber tow size, and fiber tow shape) of unidirectional fiber composites on the frontal polymerization initiated in the through‐thickness direction of the composites is investigated through computational modeling. The computational model is verified through comparisons with experimental data. The simulation results show that the frontal polymerization process is largely affected by the fiber volume fraction and the fiber tow shape and is insensitive to the fiber tow size. The average front velocity decreases significantly as the fiber volume fraction increases from 0% to 30% and then decreases mildly from 30% to 46%. Above 46%, the average front velocity plateaus. Moreover, the average front velocity decreases in an approximately linear fashion as the ratio between the major radius and minor radius of the elliptical cross section of fiber tow increases.
Crosstalk between ferroptosis and stress—Implications in cancer therapeutic responses
Authors: Zhang Cheng , Yu Jiao‐jiao , Yang Chen , Shang Shuang , Lv Xiao‐xi , Cui Bing , Hua Fang 
Published: June 2022

AbstractFerroptosis is a newly discovered form of cell death that is characterized by the accumulation of iron‐dependent lipid peroxidation. Research on ferroptosis has seen exponential growth over the past few years. Tumor cells are strongly dependent on iron for their growth, which makes them develop mechanisms to increase iron uptake and inhibit iron output, thereby completing iron accumulation. Ferroptosis can be induced or inhibited by various stresses through multiple mechanisms, making it stands at the crossroads of stresses related cancer cell fate determination. In this review, we give a brief summary of ferroptosis hallmarks and provide a systematic analysis of the current molecular mechanisms and regulatory networks of diverse stress conditions on ferroptosis. We also discuss the relationships between ferroptosis and cancer therapy responses to further understand potential targets and therapeutic strategies for cancer treatment.
The interplay between XPG‐Asp1104His polymorphism and reproductive risk factors elevates risk of breast cancer in Tanzanian women: A multiple interaction analysis
Authors: Adolf Ismael C. , Rweyemamu Linus P. , Akan Gokce , Mselle Ted F. , Dharsee Nazima , Namkinga Lucy A. , Lyantagaye Sylvester L. , Atalar Fatmahan 
Published: June 2022

AbstractBackgroundReproductive history and genetics are well‐known risk factors of breast cancer (BC). Little is known about how these factors interact to effect BC. This study investigated the association of ten polymorphisms in DNA repair genes with BC susceptibility in the Tanzanian samples and further analyzed the association between reproductive risk factors and disease riskMethodsA hospital‐based case–control study in 263 histopathological confirmed BC patients and 250 age‐matched cancer‐free controls was carried out. Allelic, genotypic, and haplotype association analyses were executed. Also, multifactor dimensionality reduction (MDR), and interaction dendrogram approaches were performed.ResultsThe frequency of genotypic and allelic variants of XRCC1‐Arg399Gln (rs25487), XRCC2‐Arg188His (rs3218536), XRCC3‐Thr241Met (rs861539), XPG‐Asp1104His (rs17655), and MSH2‐Gly322Asp (rs4987188) were significantly different between the groups (p < 0.05). Moreover, XRCC1‐Arg399Gln (rs25487), XRCC3‐Thr241Met (rs861539), and XPG‐Asp1104His (rs17655) were associated with the increased risk of BC in co‐dominant, dominant, recessive, and additive genetic‐inheritance models (p < 0.05). XRCC1‐Arg/Gln genotype indicated a 3.1‐fold increased risk of BC in pre‐menopausal patients (p = 0.001) while XPG‐His/His genotype showed a 1.2‐fold increased risk in younger BC patients (<40 years) (p = 0.028). Asp/His+His/His genotypes indicated a 1.3‐fold increased risk of BC in PR+ patients and a 1.1‐fold decreased risk of BC in luminal‐A patients (p = 0.014, p = 0.020, respectively). MDR analysis revealed a positive interaction between BC and the XPG‐Asp1104His (rs17655) together with family history of cancer in the first‐degree relatives. Dendrogram analysis indicated that the XPG‐Asp1104His (rs17655) and family history of cancer in first‐degree relatives were significantly synergistic and might be associated with an elevated risk of BC in Tanzania.ConclusionsThe XPG‐Asp1104His (rs17655) might exert both independent and interactive effects on BC development in the Tanzanian women.
Kynurenine produced by tryptophan 2,3‐dioxygenase metabolism promotes glioma progression through an aryl hydrocarbon receptor‐dependent signaling pathway
Authors: Ma Weichao , Ye Lu , Zhong Chuanhong , Li Jianguo , Ye Feng , Lv Liang , Yu Yang , Jiang Shu , Zhou Peizhi 
Published: June 2022

AbstractThe current studies associated with tumor biology continue to describe a high correlation between tryptophan (Trp) metabolism and tumor progression. These findings reflect the complex underlying mechanism of tumor development and highlight the need to explore additional drug targets for carcinoma‐associated diseases. In our study, we reported that elevated Trp metabolism was observed in highly malignant glioma tumor tissues from patients. The elevated Trp metabolism in glioma cells were induced by the overexpression of Trp 2,3‐dioxygenase 2 (TDO2), which further contributed to the production of the metabolite kynurenine (Kyn). Subsequently, the Kyn derived from Trp metabolism was able to mediate the activation of the aryl hydrocarbon receptor (AhR) and downstream PI3K/AKT signals, resulting in the strengthening of tumor stemness and growth. Meanwhile, the activation of the AhR could promote the process of epithelial−mesenchymal transition in gliomas through a TGF‐β‐dependent mechanism, leading to enhanced tumor invasion in vitro and in vivo. Inhibition of the AhR using StemRegenin 1 was demonstrated to suppress glioma growth and improve the outcome of traditional chemotherapy in subcutaneous tumor‐bearing mice, representing a promising therapeutic target for clinical glioma treatment.
Key Role of a‐Top CO on Terrace Sites of Metallic Pd Clusters for CO Oxidation
Authors: Gun Oh Dong , Aleksandrov Hristiyan A. , Kim Haneul , Koleva Iskra Z. , Khivantsev Konstantin , Vayssilov Georgi N. , Hun Kwak Ja 
Published: June 2022

AbstractPd‐based catalysts are the most widely used for CO oxidation because of their outstanding catalytic activity and thermal stability. However, fundamental understanding of the detailed catalytic processes occurring on Pd‐based catalysts under realistic conditions is still lacking. In this study, we investigated CO oxidation on metallic Pd clusters supported on Al2O3 and SiO2. High‐angle annular dark‐field scanning transmission electron microscopy revealed the formation of similar‐sized Pd clusters on Al2O3 and SiO2. In contrast, CO chemisorption analysis indicated a gradual change in the dispersion of Pd (from 0.79 to 0.2) on Pd/Al2O3 and a marginal change in the dispersion (from 0.4 to 0.24) on Pd/SiO2 as the Pd loading increased from 0.27 to 5.5 wt %; these changes were attributed to differences in the metal‐support interactions. Diffuse reflectance infrared Fourier‐transform spectroscopy revealed that fewer a‐top CO species were present in Pd supported on Al2O3 than those in Pd supported on SiO2, which is related to the morphological differences in the metallic Pd clusters on these two supports. Despite the different dispersion profiles and surface characteristics of Pd, O2 titration demonstrated that linearly bound CO (with an infrared signal at 2090 cm−1) reacted first with oxygen in the case of CO‐saturated Pd on Al2O3 and SiO2, which suggests that a‐top CO on the terrace site plays an important role in CO oxidation. The experimental observations were corroborated by periodic density functional calculations, which confirmed that CO oxidation on the (111) terrace sites is most plausible, both kinetically and thermodynamically, compared to that on the edge or corner sites. This study will deepen the fundamental understanding of the effect of Pd clusters on CO oxidation under reaction conditions.
Muon Spin Rotation/Resonance (μSR) for Studying Radical Reactivity of Unsaturated Organophosphorus Compounds
Authors: Ito Shigekazu 
Published: June 2022

AbstractThe positive muon (μ+) can be regarded as a light isotope of proton and has been an important tool to study radical reactions of organic compounds. Recently, muons have been applied to produce short‐lived paramagnetic species from the heavier unsaturated organic molecules including the p‐block elements. This article overviews recent muon spin rotation/resonance (μSR) studies on the phosphorus analogs of alkenes, anthracenes, and cyclobutane‐1,3‐diyls together with the fundamentals of μSR. The acyclic phosphaalkene of P=C and phosphasilenes of P=Si can accept muonium (Mu=[μ+e−]) at the heavier double bonds, and the corresponding radicals have been characterized. The phosphorus atom in 9‐phosphaanthracene, whose P=C double bond is stabilized by the peri‐substituted CF3 groups, predominantly captures muonium to provide the corresponding paramagnetic fused heterocyclic system. The peri‐trifluoromethyl groups are functional to promote the unprecedented light isotope effect of muon providing the planar three‐cyclic molecular structure to consume the increased zero‐point energy. The formally open‐shell singlet 1,3‐diphosphacyclobutane‐2,4‐diyl unit can accept muonium at the (ylidic) phosphorus or the skeletal radicalic carbon, and the corresponding paramagnetic phosphorus heterocycles can be characterized by μSR. The findings on these muoniation processes to the unsaturated phosphorus‐containing compounds will contribute not only to development of novel paramagnetic functional species but also to progress on muon science.
Catalytic Activation of Imines by Chalcogen Bond Donors in a Povarov [4+2] Cycloaddition Reaction
Authors: Steinke Tim , Wonner Patrick , Gauld Richard M. , Heinrich Sascha , Huber Stefan M. 
Published: June 2022

AbstractRecently, chalcogen bonding has been investigated in more detail in organocatalysis and the scope of activated functionalities continues to increase. Herein, the activation of imines in a Povarov [4+2] cycloaddition reaction with bidentate cationic chalcogen bond donors is presented. Tellurium‐based Lewis acids show superior properties compared to selenium‐based catalysts and inactive sulfur‐based analogues. The catalytic activity of the chalcogen bonding donors increases with weaker binding anions. Triflate, however, is not suitable due to its participation in the catalytic pathway. A solvent screening revealed a more efficient activation in less polar solvents and a pronounced effect of solvent (and catalyst) on endo : exo diastereomeric ratio. Finally, new chiral chalcogen bonding catalysts were applied but provided only racemic mixtures of the product.
Striking Size and Doping Effects of Ti−Si−O Clusters on Methane Conversion Reactions
Authors: Yuan Bowei , Tang Shi‐Ya , Zhou Shaodong 
Published: June 2022

AbstractThe size and doping effects in methane activation by Ti−Si−O clusters have been explored by using a combination of gas‐phase experiments and quantum chemical calculations. All [TimSinO2(m+n)].+ (m+n=2, 3, 8, 10, 12, 14) clusters can extract a hydrogen from methane. The associated energies and structures have been revealed in detail. Moreover, the doping and size effects have been discussed involving generalized Kohn‐Sham energy decomposition analysis, natural population analysis, Wiberg bond indexes (WBI), molecular polarity index (MPI) and ionization potential (IP). It suggested that Ti−Si−O clusters with a low Ti : Si ratio is beneficial to adsorbing methane and inclination to the hydrogen atom transfer (HAT) process, while the clusters with a high Ti : Si ratio favors the generation of a terminal oxygen radical and results in high reactivity and turnover frequency. On the other hand, a cluster size of m+n=12 is recommended considering both the ionization potential and the turnover frequency of the reaction. Hopefully, these finding will be instructive for the design of high‐performance Ti−Si−O catalyst toward methane conversion.
Bistriazoles Connected Through a B−B Bridge, Synthesized by Highly Selective Dipolar Cycloaddition Reactions of a Diazido‐diborane(4)
Authors: Vogler Daniel , Schöner Maximilian , Kaifer Elisabeth , Himmel Hans‐Jörg 
Published: June 2022

AbstractIn this work we report the first cycloaddition reactions between a diazido diborane(4) and terminal alkynes, providing unique access to bis‐1,2,3‐triazoles connected by a B−B bridge. The catalyst‐free reactions are highly selective, yielding exclusively the thermodynamically disfavored bis‐1,4‐triazoles. The reactions are enabled by the high thermal stability of the diazido‐diborane [B(hpp)(N3)]2 (hpp=1,3,4,6,7,8‐hexahydro‐2H‐pyrimido[1,2‐α]pyrimidinate). Due to the tetra‐coordinate boron atoms in this reagent, the reactions are tolerant with respect to the introduction of Lewis‐basic groups at the alkyne. The scope and limitations of the new reactions are discussed.
Cucurbit[7]uril Inhibits Islet Amyloid Polypeptide Aggregation by Targeting N Terminus Hot Segments and Attenuates Cytotoxicity
Authors: Maity Debabrata , Oh Yujeong , Gremer Lothar , Hoyer Wolfgang , Magzoub Mazin , Hamilton Andrew D. 
Published: June 2022

AbstractInvited for the cover of this issue is the group of Prof. Hamilton at New York University. The image depicts how cucurbit[7]uril inhibits islet amyloid polypeptide self‐assembly that rescues rat insulinoma cells (a pancreatic β‐cell model) from assembly‐associated cytotoxicity. Read the full text of the article at 10.1002/chem.202200456.
Structural Elucidation and Total Synthesis of Trichodermotin A, A Natural α‐Glucosidase Inhibitor from Trichoderma asperellum
Authors: Yu Muyuan , Wang Fengqing , Yao Si , Zang Yi , Dai Chong , Liang Yu , Zhang Mi , Gu Lianghu , Zhu Hucheng , Zhang Yonghui 
Published: June 2022

Comprehensive SummaryA pair of alkaloid enantiomers possessing a novel 1‐oxaspiro[4.4]non‐3‐ene‐2,7‐dione skeleton, trichodermotin A (1), was obtained from the fungus Trichoderma asperellum. Spectroscopic data, X‐ray diffraction, and ECD calculations were used to establish its structure and absolute configuration. (−)‐1 showed significant α‐glucosidase inhibitory activity (IC50 = 10.1 μmol/L vs. 60.1 μmol/L of positive control). A plausible biosynthetic pathway originating from L‐β‐phenylalanine was proposed, and a facile total synthesis was further accomplished. The key reaction of our synthetic strategy was a domino aza‐Michael/lactonization in one pot, leading to the pivotal 4‐amino‐oxaspiro[4.4]octane scaffold.
The modeling study of the effect of morphological behaviors of extracellular matrix fibers on the dynamic interaction between tumor cells and antitumor immune response
Authors: Jia Guanjie , Yang Hao , Wang Kaiqun , Huang Di , Chen Weiyi , Shan Yanhu 
Published: June 2022

AbstractLow response rate limits the effective application of immunotherapy, in which the interactions between tumor cells and immune cells play a significant role. The strength of regulation could be mediated by extracellular matrix (ECM) fibers, which is still insufficiently investigated. In the study, the cellular potts model was utilized to explore the role of morphological properties of ECM in tumor–immune interactions. It was observed that high‐density random ECM fibers delayed the interaction between tumor cells and T cells. Moreover, the tumor–immune interactions were ECM morphology‐specific. Radial ECM fibers exhibited weaker inhibitory role in the process of contact between tumor cells and T cells. This study provided the useful mechanism of tumor–immune interactions from the viewpoint of morphological effect of ECM fibers, facilitating improving the efficiency of immunotherapy.
An Overview of Structure and Dynamics Associated with Hydrophobic Deep Eutectic Solvents and Their Applications in Extraction Processes
Authors: Malik Akshay , Dhattarwal Harender S. , Kashyap Hemant K. 
Published: June 2022

AbstractRecent development of novel water‐immiscible green solvents known as hydrophobic deep eutectic solvents (HDESs) has opened the gates for applications requiring media where the presence of water is undesirable. Ever since they were prepared, researchers have used HDESs in diverse fields such as extraction processes, CO2 sequestration, membrane formation, and catalysis. The structure and dynamics associated with the species comprising HDESs guide their suitability for specific applications. For example, varying the alkyl tail length of the HDES components significantly affects the dynamics of the components and thus helps in tuning the efficiency of extraction processes. However, the development of HDESs is still in infancy, and very few theoretical studies are available in the literature that help in understanding the structure and dynamics of HDESs. This review highlights the recent studies focused on the microscopic structure and dynamics of HDESs and their potential applications, particularly in extraction processes. We have also provided a glimpse of how the integration of experiments and computational techniques can help delineate the mechanism of extraction processes.
Preclinical platforms to study therapeutic efficacy of human γδT‐cells for oncology indications
Authors: Barisa Marta , Fowler Daniel , Nattress Callum , Fisher Jonathan 
Published: June 2022

AbstractIn this commentary, we discuss recent advances in the study of γδT cell‐based immunotherapeutics. As an allo‐compatible cell therapy chassis without clear functional homologs in mice, γδT cells represent a challenge and an opportunity for preclinical modelling. We discuss some of the techniques and approaches that can be used to demonstrate and characterise γδT cell behaviour in biomimetic systems.