bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalytic Approaches to the Halogen Dance Reaction for Molecular Editing
Authors: Inoue Kengo , Okano Kentaro 
Published: March 2024

AbstractTransposition reactions, i. e., switching the position of functional groups, are a powerful tool for molecular editing. The transposition of a halogen atom attached to an aromatic ring, referred to as the halogen dance reaction, has great potential in the fields of pharmaceuticals, agrochemicals, natural products, and functional materials. However, the substrate scope of this reaction is limited owing to the intrinsic difficulty in facilitating multiple catalytic cycles involving several aryllithium species. In this concept paper, recent advances in halogen dance catalysis that have expanded the substrate scope of this reaction are highlighted.
Dollar cost averaging and fair value dispersion
Authors: O'Brien Thomas J. , Piros Christopher D. 
Published: March 2024

AbstractThis study proposes a simple theoretical model to compare dollar cost averaging and buy‐and‐hold strategies for investors who perceive that equity's unobservable fair (intrinsic) value is symmetrically dispersed around the observable price. For reasonable model inputs, the study shows that if the fair value dispersion is relatively high, dollar cost averaging can be superior to a buy‐and‐hold strategy.
Yeast‐Controlled Double‐Shelled CaCO3/CaF2 Hollow Nanospheres with Hierarchically Porous for Sustained pH‐Sensitive Drug Release
Authors: Liu Xinhe , Chang Yi , Ma Guanglei , Liu Tingting , Song Penghui , Yu Heng , Ren Xueqing , Guo Yuming , Ma Xiaoming 
Published: March 2024

Comprehensive SummaryHierarchically porous materials (HP materials) are believed one of the most hopeful matrix materials because of their distinctive multimodal pore structures and tremendous application potentials in the field of biomedicine. However, green and facile synthesis of hierarchically porous nanomaterials with beneficial water dispersibility and biocompatibility is still a great challenge. Herein, a novel biomimetic strategy is proposed to prepare the cell‐tailored double‐shelled HPCaCO3/CaF2 hollow nanospheres under the mediation of yeast cells. The biomolecules derived from the secretion of yeast cells are used as conditioning and stabilizing agents to control the biosynthesis of the HPCaCO3/CaF2 materials, which exhibit excellent water dispersibility and favorable biocompatibility. The double‐shelled CaCO3/CaF2 nanospheres hold hierarchically porous structure and have abundant pore channel and large specific surface area, showing high drug‐loading and a prolonged drug sustainable release profile by the pore‐by‐pore diffusion pattern of the hierarchical pores. Otherwise, the HPCaCO3 with pH‐sensitivity could controllably release drug doxorubicin hydrochloride (DOX) at the acidic tumor microenvironment. Both in vitro and in vivo results demonstrate that HPCaCO3/CaF2 has the sustainable pH‐sensitive drug release property, showing an enhanced therapeutic effect. Summarily, this study provides a biomimetic strategy to synthesize the hierarchically porous double‐shelled hollow nanomaterials for applying in sustainable drug delivery system.
Carbene‐Catalyzed Asymmetric Ring‐Opening Reaction of Biaryl Lactams to Access Axially Chiral Biaryls†
Authors: Wang Guanjie , Yuan Guowei , Wei Chenlong , Zhang Ye , Zhu Haibin , Yang Weiqi , Shi Dongping , Zhang Xiaoxiang , Fu Zhenqian 
Published: March 2024

Comprehensive SummaryAxially chiral biaryls represent the most important class of atropisomers, and they widely exist in natural products and biologically active molecules. They also constitute a unique scaffold for chiral ligands and catalysts in organic synthesis. The development of synthetic methods to obtain such chiral compounds has received widespread attention, among which catalytically atroposelective ring‐opening of configurationally labile compounds represents one of the most attractive strategies. Various substrates with strained cyclic structures, such as the renowned Bringmann's lactones, can undergo asymmetric transformation into stable atropisomers. Known advancement primarily relies on metal catalyst combined with well‐designed chiral ligands, the approaches utilizing organocatalysis as a critical resolution strategy are notably scarce. In this study, we disclosed a N‐heterocyclic carbene (NHC)‐catalyzed asymmetric ring‐opening reaction of biaryl lactams via direct atroposelective nucleophilic activation. The optimized bulky carbene catalyst ensures that the reaction can proceed under mild conditions, affording the desired product with good to excellent yields and atroposelectivity.
Uses and limitations of artificial intelligence for oncology
Authors: Kolla Likhitha , Parikh Ravi B. 
Published: March 2024

ABSTRACTModern artificial intelligence (AI) tools built on high‐dimensional patient data are reshaping oncology care, helping to improve goal‐concordant care, decrease cancer mortality rates, and increase workflow efficiency and scope of care. However, data‐related concerns and human biases that seep into algorithms during development and post‐deployment phases affect performance in real‐world settings, limiting the utility and safety of AI technology in oncology clinics. To this end, the authors review the current potential and limitations of predictive AI for cancer diagnosis and prognostication as well as of generative AI, specifically modern chatbots, which interfaces with patients and clinicians. They conclude the review with a discussion on ongoing challenges and regulatory opportunities in the field.
L→S Coordination Complexes Containing Benzothiazol‐2‐ylidene Ligand: Quantum Chemical Analysis and Synthesis
Authors: Mukhopadhyay Joy , Bhagat Srikant , Sahoo Subash C. , Bharatam Prasad V. 
Published: March 2024

Abstract(NHC)→E coordination interactions were known where NHC is an N‐heterocyclic carbene, and E is a main group element (B, C, N, Si, P). Recently, it was suggested that compounds with (NHC)→S coordination chemistry are also possible. This work reports quantum chemical analysis and synthesis of (NHC)→S‐R(+) complexes in which benzothiazol‐2‐ylidene acts as a ligand. A Density functional study established that (NHC)→S interaction can best be described as a coordination interaction. Synthetic efforts were made, initially, to generate divalent sulfur compounds containing benzothiazole substituents. N‐alkylation of the heterocyclic ring in these sulfides using methyl triflate led to the generation of the desired products with (NHC)→S coordination chemistry, which involves the in situ generation of NHC ring ligands. The observed changes in the 13C NMR spectra, before and after methylation, confirmed the change in the electronic character of the C−S bond from a covalent character to a coordination character.
Quantum Chemical Study of a Dihydroazulene‐Spiropyran Multi‐State Multi‐Functional Molecular Switch
Authors: Deveaux Noah , Ramos Tárcius N. , Beaujean Pierre , Castet Frédéric , Champagne Benoît 
Published: March 2024

AbstractQuantum chemistry methods have been enacted to characterize the second‐order nonlinear optical (NLO) properties of a multi‐state molecular switch containing dihydroazulene and spiropyran units. They have demonstrated that the first hyperpolarizabilities constitute a novel output signal from the viewpoint of molecular logic, owing to the contrasts of NLO responses between the different forms of the dyad. On the one hand, the DFT calculations demonstrate that switching either unit has only a negligible impact on the geometrical parameters of the other one, as well as on the thermodynamics of their transformations. Similarly, as determined by time‐dependent DFT calculations, the UV/vis absorption spectra are in good approximation a superposition of those from the parent units. On the other hand, this additivity trend is not consistently observed for the NLO responses. However, an interpretation of these NLO responses has been proposed by using the unit sphere representation of the first hyperpolarizability tensors to address their orientational aspects as well as by resorting to the few‐state approximation and the missing state analysis to highlight the localized or charge‐transfer nature of the dominant excited states.
The evolution of pro‐environmental behavior research in three decades using bibliometric analysis
Authors: Goyal Sakshi , Goyal Praveen 
Published: March 2024

AbstractPro‐environmental behavior plays a pivotal role in mitigating adverse environmental conditions like climate change and greenhouse gas emissions. Therefore, the current study aims to demonstrate the evolution of pro‐environmental behavior research and determine the emerging areas of this research field. This study employs a bibliometric approach encompassing temporal, co‐word, citation, and bibliographic coupling analyses using SciMAT and VOS Viewer to analyze 1824 articles extracted from Scopus, spanning the period from 1993 to 2022. The findings of bibliometric analysis reveal that (i) After the introduction of sustainable development goals, the research on pro‐environmental behavior has considerably evolved and gained enormous diversity, (ii) the predominant research themes include ecotourism, sustainable consumption behavior, and corporate social responsibility, (iii) green behavior and green marketing are the two significant emerging research areas. This study would facilitate research practitioners and academicians in comprehending evolving trends and identifying avenues for future research.
Working the system—An empirical analysis of the relationship between systems thinking, paradoxical cognition, and sustainability practices
Authors: Schulte Meike Nicole , Paris Cody Morris 
Published: March 2024

AbstractSustainability is an inherently complex problem. Often, a reductionist mindset underpins corporate sustainability practices. Understanding the collective impact of systems thinking and paradoxical cognition on sustainability practices could foster new cognitive strategies for sustainability efforts. Informed by stakeholder theory, this study investigates the impacts of systems thinking and paradoxical cognition on sustainability practices in small and medium‐sized enterprises (SMEs). Primary data was collected through a survey of SME managers in the United Arab Emirates (n = 554), and the hypothesized model was analyzed using structural equation modelling. The findings imply that systems thinking, paradoxical thinking, and the ability to recognize paradoxical tensions positively influenced sustainability practices. The study's findings offer novel insights advocating for the integration of cognitive frameworks and sustainability practices in the context SMEs, highlighting the need for a shift from traditional linear management approaches to more adaptive and integrative strategies.
Data‐ and theory‐driven approaches for understanding paths of epithelial–mesenchymal transition
Authors: Hong Tian , Xing Jianhua 
Published: March 2024

SummaryReversible transitions between epithelial and mesenchymal cell states are a crucial form of epithelial plasticity for development and disease progression. Recent experimental data and mechanistic models showed multiple intermediate epithelial–mesenchymal transition (EMT) states as well as trajectories of EMT underpinned by complex gene regulatory networks. In this review, we summarize recent progress in quantifying EMT and characterizing EMT paths with computational methods and quantitative experiments including omics‐level measurements. We provide perspectives on how these studies can help relating fundamental cell biology to physiological and pathological outcomes of EMT.
Signaling mechanisms underlying activity‐dependent integration of adult‐born neurons in the mouse olfactory bulb
Authors: Bao Suyang , Romero Juan M. , Belfort Benjamin D. W. , Arenkiel Benjamin R. 
Published: March 2024

SummaryAdult neurogenesis has fascinated the field of neuroscience for decades given the prospects of harnessing mechanisms that facilitate the rewiring and/or replacement of adult brain tissue. The subgranular zone of the hippocampus and the subventricular zone of the lateral ventricle are the two main areas in the brain that exhibit ongoing neurogenesis. Of these, adult‐born neurons within the olfactory bulb have proven to be a powerful model for studying circuit plasticity, providing a broad and accessible avenue into neuron development, migration, and continued circuit integration within adult brain tissue. This review focuses on some of the recognized molecular and signaling mechanisms underlying activity‐dependent adult‐born neuron development. Notably, olfactory activity and behavioral states contribute to adult‐born neuron plasticity through sensory and centrifugal inputs, in which calcium‐dependent transcriptional programs, local translation, and neuropeptide signaling play important roles. This review also highlights areas of needed continued investigation to better understand the remarkable phenomenon of adult‐born neuron integration.
Spectral ratio analysis of the site amplification effect and nonlinear site response at MYGH10 during the 2021 MW 7.1 Fukushima earthquake in Japan
Authors: Zhang Shiliang , Tao Dongwang , Xie Quancai , Ma Qiang , Wang Fuchen , Wang Jiang , Ji Kun 
Published: March 2024

AbstractGround motion recording with peak ground acceleration (PGA) exceeding 1.43 g was observed at the Yamamoto (MYGH10) station during the MW 7.1 Fukushima earthquake off the east coast of Honshu, Japan, in February 2021. In this study, we investigated the site amplification effect and nonlinear site response at the MYGH10 site using the horizontal‐to‐vertical spectral ratio (HVSR) and surface‐to‐borehole spectral ratio (SBSR), respectively. The site transfer function of station MYGH10 was presented using HVSRs (HVSR on the ground surface) and SBSR at different frequency bands. The dominant contributing frequency band of the PGA was determined by increasing the high cutoff frequency of the bandpass filter when filtering the acceleration recording, which was used to interpret the anomaly of the PGA by combining it with the site characteristics. We found an obvious site effect below the downhole sensor through the HVSRb (HVSR on the downhole bedrock) and determined the influence of the frequency band of the downhole site on ground motion. In addition, substantial discrepancies in the frequency and amplitude between the spectral ratio curves for the Fukushima mainshock records and the weak historical motions were identified. The calculated values of the degree of nonlinearity suggested that a strong nonlinear site response occurred at station MYGH10. Finally, the recovery of the site after strong shaking was evaluated by using the average spectral ratio curves of several aftershock records.
Modeling the neurocognitive dynamics of language across the lifespan
Authors: Guichet Clément , Banjac Sonja , Achard Sophie , Mermillod Martial , Baciu Monica 
Published: March 2024

AbstractHealthy aging is associated with a heterogeneous decline across cognitive functions, typically observed between language comprehension and language production (LP). Examining resting‐state fMRI and neuropsychological data from 628 healthy adults (age 18–88) from the CamCAN cohort, we performed state‐of‐the‐art graph theoretical analysis to uncover the neural mechanisms underlying this variability. At the cognitive level, our findings suggest that LP is not an isolated function but is modulated throughout the lifespan by the extent of inter‐cognitive synergy between semantic and domain‐general processes. At the cerebral level, we show that default mode network (DMN) suppression coupled with fronto‐parietal network (FPN) integration is the way for the brain to compensate for the effects of dedifferentiation at a minimal cost, efficiently mitigating the age‐related decline in LP. Relatedly, reduced DMN suppression in midlife could compromise the ability to manage the cost of FPN integration. This may prompt older adults to adopt a more cost‐efficient compensatory strategy that maintains global homeostasis at the expense of LP performances. Taken together, we propose that midlife represents a critical neurocognitive juncture that signifies the onset of LP decline, as older adults gradually lose control over semantic representations. We summarize our findings in a novel synergistic, economical, nonlinear, emergent, cognitive aging model, integrating connectomic and cognitive dimensions within a complex system perspective.
Baseline breast tissue characteristics determine the effect of tamoxifen on mammographic density change
Authors: Gabrielson Marike , Hammarström Mattias , Bergqvist Jenny , Lång Kristina , Rosendahl Ann H. , Borgquist Signe , Hellgren Roxanna , Czene Kamila , Hall Per 
Published: March 2024

AbstractTamoxifen prevents recurrence of breast cancer and is also approved for preventive, risk‐reducing, therapy. Tamoxifen alters the breast tissue composition and decreases the mammographic density. We aimed to test if baseline breast tissue composition influences tamoxifen‐associated density change. This biopsy‐based study included 83 participants randomised to 6 months daily intake of placebo, 20, 10, 5, 2.5, or 1 mg tamoxifen. The study is nested within the double‐blinded tamoxifen dose‐determination trial Karolinska Mammography Project for Risk Prediction of Breast Cancer Intervention (KARISMA) Study. Ultrasound‐guided core‐needle breast biopsies were collected at baseline before starting treatment. Biopsies were quantified for epithelial, stromal, and adipose distributions, and epithelial and stromal expression of proliferation marker Ki67, oestrogen receptor (ER) and progesterone receptor (PR). Mammographic density was measured using STRATUS. We found that greater mammographic density at baseline was positively associated with stromal area and inversely associated with adipose area and stromal expression of ER. Premenopausal women had greater mammographic density and epithelial tissue, and expressed more epithelial Ki67, PR, and stromal PR, compared to postmenopausal women. In women treated with tamoxifen (1–20 mg), greater density decrease was associated with higher baseline density, epithelial Ki67, and stromal PR. Women who responded to tamoxifen with a density decrease had on average 17% higher baseline density and a 2.2‐fold higher PR expression compared to non‐responders. Our results indicate that features in the normal breast tissue before tamoxifen exposure influences the tamoxifen‐associated density decrease, and that the age‐associated difference in density change may be related to age‐dependant differences in expression of Ki67 and PR.
An efficient brain tumor segmentation model based on group normalization and 3D U‐Net
Authors: Chen Runlin , Lin Yangping , Ren Yanming , Deng Hao , Cui Wenyao , Liu Wenjie 
Published: March 2024

AbstractAccurate segmentation of brain tumors has a vital impact on clinical diagnosis and treatment, and good segmentation results are helpful for the treatment of this disease, which is a serious threat to human health. High‐precision segmentation of brain tumors remains a challenging task due to their diverse shapes, sizes, locations, and complex boundaries. Considering the special structure of medical brain tumor images, many researchers have proposed a brain tumor segmentation (BraTS) network based on 3D U‐Net. However, there are also problems such as insufficient receptive fields and excessive computing costs. In this paper, we propose an efficient BraTS model based on group normalization (GN) and 3D U‐Net (3D‐EffUNet). First, according to the characteristics of brain tumor images, the medical image of the whole case is input into the model, and 3D convolution layers are used to extract features and filter irrelevant information. Then, using 3D U‐Net as the main framework, an efficient convolutional module is designed for more precise processing of brain tumor features. Moreover, an efficient convolution module based on GN and an attention mechanism is introduced to reduce the complexity of the network without affecting the segmentation performance and to increase the awareness of voxels between adjacent dimensions and the local space. Finally, the decoder was used to reconstruct high‐precision BraTS information. The model is trained and tested on the BraTS2021 dataset, and the experimental results show that it can maintain good segmentation performance and greatly reduce the calculation cost.
Examining negative urgency as a predictor of eating disorder maintenance in purging syndromes
Authors: Horvath Sarah A. , Keel Pamela K. , Forney K. Jean 
Published: March 2024

AbstractObjectivesNegative urgency is associated with short‐term maintenance of binge eating and purging in unselected samples. The current study used an eating disorder sample to test the hypothesis that negative urgency maintains bulimia nervosa (BN) and purging disorder (PD) at long‐term follow‐up. It was also hypothesized that baseline differences in negative urgency between BN and PD would remain at follow‐up.MethodsSecondary analyses were conducted on a sample of women who engaged in recurrent self‐induced vomiting (n = 68; 52.9% BN; 47.1% PD). Women completed diagnostic interviews and questionnaires at baseline and at a mean (SD) of 5.95 (1.58) years follow‐up (range = 2.51–9.62; retention rate = 75%).ResultsNegative urgency did not predict eating disorder diagnostic status, recovery status, or global eating pathology at follow‐up (p's = .06–.83). There were no significant differences in negative urgency across women with BN and PD at follow‐up (p = .16). However, post hoc analyses indicated that negative urgency was not stable across time (ICC = .102). Increases in negative urgency from baseline to follow‐up were associated with greater global eating pathology at follow‐up (p = .002).ConclusionResults suggest negative urgency does not predict long‐term eating disorder maintenance. Negative urgency may not be a stable personality trait but rather an indicator of overall poor emotion regulation. Future research should confirm that changes in negative urgency predict chronic eating pathology over long durations of follow‐up in women who have increasing negative urgency across time.