bluuebunny/crossref_metadata_2025 huggingface dataset:
Prognostic nomograms for young breast cancer: A retrospective study based on the SEER and METABRIC databases
Authors: Li Yongxin , Tao Xinlong , Ye Yinyin , Tang Yuyao , Xu Zhengbo , Tian Yaming , Liu Zhen , Zhao Jiuda
Published: October 2024

Background

Young breast cancer (YBC) is a subset of breast cancer that is often more aggressive, but less is known about its prognosis. In this study, we aimed to generate nomograms to predict the overall survival (OS) and breast cancer‐specific survival (BCSS) of YBC patients.

Methods

Data of women diagnosed with YBC between 2010 and 2020 were obtained from the Surveillance, Epidemiology, and End Results (SEER) database. The patients were randomly allocated into a training cohort (n = 15,227) and internal validation cohort (n = 6,526) at a 7:3 ratio. With the Cox regression models, significant prognostic factors were identified and used to construct 3‐, 5‐, and 10‐year nomograms of OS and BCSS. Data from the Molecular Taxonomy of Breast Cancer International Consortium (METABRIC) database were used as an external validation cohort (n = 90).

Results

We constructed nomograms incorporating 10 prognostic factors for OS and BCSS. These nomograms demonstrated strong predictive accuracy for OS and BCSS in the training cohort, with C‐indexes of 0.806 and 0.813, respectively. The calibration curves verified that the nomograms have good prediction accuracy. Decision curve analysis demonstrated their practical clinical value for predicting YBC patient survival rates. Additionally, we provided dynamic nomograms to improve the operability of the results. The risk stratification ability assessment also showed that the OS and BCSS rates of the low‐risk group were significantly better than those of the high‐risk group.

Conclusions

Here, we generated and validated more comprehensive and accurate OS and BCSS nomograms than models previously developed for YBC. These nomograms can help clinicians evaluate patient prognosis and make clinical decisions.
Supramolecular Assemblies via Host‐Guest Interactions for Tumor Immunotherapy
Authors: Zhao Meng , Zhou Qinghao , Ge Zhishen
Published: October 2024

Cancer immunotherapy has emerged as one of the most promising modalities for cancer treatment providing hopes of cancer patients with the significant advantages over traditional antitumor therapy methods. Supramolecular assemblies based on host‐guest interactions have been widely explored in the field of cancer immunotherapy as the delivery systems. A variety of supramolecular materials show unique features for efficient drug encapsulation, targeting delivery and release, which are favorable to activate antitumor immune responses especially through combination of different treatment strategies. In this review article, we summarize the research progresses of supramolecular assemblies via host‐guest interactions for tumor immunotherapy. The construction of various drug delivery systems including hydrogels, liposomes, and polymeric nanoparticles, the drug encapsulation and delivery, as well as advantages and disadvantages are discussed. The perspectives related to future developments in this field are also described.
Regulatory Mechanisms and Applications of Rare Earth Elements‐Based Electrocatalysts†
Authors: Gao Qinlong , Wang Haoyuan , Liu Chunxiao , Luo Laihao , Li Xu , jiang Qiu , Ji Yuan , Zheng Tingting , Xia Chuan
Published: October 2024

Comprehensive Summary

Amidst the pressing environmental challenges posed by the prevalent reliance on fossil fuels, it becomes imperative to seek sustainable alternatives and prioritize energy efficiency. Electrocatalysis, which is renowned for its high efficiency and environmental friendliness, has garnered significant attention. Rare earth elements (REEs), distinguished by their unique electronic and orbital structures, play a crucial role in electrocatalysis. The strategic integration of REEs into catalysts allows for the fine‐tuning of atomic structures, which in turn, significantly boosts catalytic performance. Despite substantial advancements in rare earth‐based materials for electrocatalysis, a comprehensive overview of the regulatory mechanisms involving REEs is lacking. In this mini‐review, we systematically explore the regulatory mechanisms of REEs within electrocatalysts and their pivotal roles in essential electrocatalytic processes such as the CO2 reduction reaction, oxygen reduction reaction, and hydrogen evolution reaction. We commence with an elucidation of REEs, proceed to delineate their regulatory impacts on electrocatalysts and delve into their applications in key electroreduction reactions. We conclude with discussions on current limitations and prospects for further advancements in this burgeoning field of research.

Key Scientists
Two‐Dimensional Metal Covalent Organic Polymers with Dirhodium(II) Photoreduction Centers for Efficient Nitrogen Fixation
Authors: Qiu Qian‐Qian , Han Wang‐Kang , Zhu Ruo‐Meng , Liu Yong , Fu Jia‐Xing , Gu Zhi‐Guo
Published: October 2024

Photocatalytic nitrogen fixation is a green method for converting N2 to NH3, but it remains a challenging task due to the lack of effective photocatalysts. Herein, a series of porous metal covalent organic polymers (MCOPs) with the integration of dinuclear rhodium(II) catalytic centers were rationally constructed for photocatalytic N2 fixation. Interestingly, the porous MCOPs had double‐layers two‐dimensional (2D) structures with the coordinated Rh(II) as the point of registry. The photocatalytic experiment showed that Rh‐TAPA with significant donor‐acceptor (D−A) features exhibited a high activity toward NH3 production with a rate of 319.8 μmol g−1 h−1. The electron transfer process, N2 adsorption and activation mechanism of RhCOPs were further investigated through comprehensive characterization, including DFT calculations and in situ characterization. This work provided a valuable insight into the photocatalytic N2 fixation process with porous materials.
Research on the Heterogeneous Deformation Behavior of Nickel Base Alloy Based on CPFEM
Authors: Liu Erqiang , You Mengchun , Zhao Hongwei , Wu Jianguo , Yang Xianliang , Xiao Gesheng , Lin Jinbao
Published: October 2024

In this paper, a crystal plasticity finite element method (CPFEM), considering the grain morphology and orientation, as well as the dislocation density, is used to research the tensile deformation behavior of GH4169 based on Electron Backscatter Diffraction (EBSD). The stress, plastic strain, and dislocation density distributions are obtained for different levels of deformation. Results show that the stress, plastic strain, and dislocation density exhibit obvious heterogeneous plastic deformation, and stress concentration and dislocation pileup mainly occurs near grain boundaries. The initial dislocation density mainly affects the stress–strain curve of the material, and it can obviously effect the yield strength but cannot influence the hardening ability of the material. The total dislocation density increases with plastic strain. However, the texture evolution has no evident change with increasing plastic strain, except for the increase of texture content in Cube (001)[100].
Shade, height of cut, and plant growth regulator effects on bermudagrass and zoysiagrass putting greens
Authors: Walton Thomas E. , McCalla John H. , Karcher Douglas E. , Hutchens Wendell J. , Chandra Ambika , Richardson Michael D.
Published: October 2024

Warm‐season turfgrasses, especially hybrid bermudagrass (Cynodon dactylon (L.) Pers × Cynodon transvaalensis Burtt‐Davy), continue to be widely used on golf course putting greens in tropical and subtropical climates globally and are also gaining popularity in the transition zone region of the United States. Hybrid bermudagrass produces a high‐quality putting green surface; however, it has relatively poor shade and cold tolerance. Recently, fine‐textured zoysiagrass (Zoysia spp.) cultivars have been released and may be another potential option for golf course putting greens, especially since zoysiagrass is generally considered more shade tolerant than bermudagrass. “Lazer (DALZ 1308)” zoysiagrass (Zoysia matrella (L.) Merrill × Zoysia minima (Colenso) Zotov) is a new, fine‐textured zoysiagrass that may have the potential to produce high‐quality putting green surfaces in transition zone environments. The objective of this 2‐year field trial was to compare Lazer zoysiagrass to TifEagle bermudagrass under varying light levels (0%, 20%, 40%, 60%, and 80% shade) and management practices to determine the minimum daily light integral (DLI) requirements and surface playability characteristics (ball roll distance and surface firmness) for each species. Species plots were split with two mowing heights (2.5 and 3.2 mm) and further split with or without weekly applications of the plant growth regulator, trinexapac‐ethyl. Lazer demonstrated significantly greater shade tolerance than TifEagle. The minimum DLI requirement for Lazer was generally about 10 mol m−2 day−1 less than TifEagle. Surface firmness was also greater for Lazer zoysiagrass, while TifEagle consistently produced greater ball roll distances than Lazer. Results from this trial demonstrate that Lazer zoysiagrass can produce acceptable putting green conditions and is better adapted than TifEagle to moderate shade conditions.
FeCo Bimetallic ZIF Derivatives Decorated with CoFe‐LDH to Promote Bifunctional Oxygen Electrocatalysis Activation
Authors: Zhang Feng , Lei Yu , Li Guang , Xie Yangchen , Guo Xinjia , Zhang Xiaoyan , Wang Xianyou
Published: October 2024

Reasonably screening the targeted oxygen reduction reaction (ORR)/oxygen evolution reaction (OER) constituents and constructing high‐efficiency and stabilized ORR/OER bifunctional electrocatalysts are pivotal for the advancement of rechargeable zinc‐air batteries (ZABs). Here, CoFe layered double hydroxide (CoFe‐LDH) nanosheets are deposited on nitrogen‐doped graphite‐carbon polyhedra with FeCo alloy nanoparticles (FeCo/LDH‐NGCP). Due to the synergic effect between FeCo‐NGCP, CoFe‐LDH and FeCo/LDH‐NGCP, the electrocatalyst with the abundant and accessible active sites can provide good charge/mass transfer, and thus shows wonderful ORR and OER bifunctional electrocatalytic performance. In ORR tests, FeCo/LDH‐NGCP catalyst displays larger half‐wave potential (E1/2, 0.89 V vs. 0.85 V), higher limiting current density (JL, 5.91 mA/cm2 vs. 5.14 mA/cm2) and better stability than commercial Pt/C. As for OER, FeCo/LDH‐NGCP possesses a smaller overpotential (η) of 299.6 mV at a current density of 10 mA/cm2 and more durable stability than commercial RuO2 (330.6 mV). Furthermore, in ZAB tests, the cycling stability of ZAB‐FeCo/LDH‐NGCP (over 470 h) outperforms the ZAB‐Pt/C+RuO2 (92 h) with commercial electrocatalyst (Pt/C+RuO2). Therefore, the FeCo/LDH‐NGCP catalyst offers a new perspective to construct ZABs bifunctional catalysts and their commercial application in ZABs.
Hydrology and trophic flexibility structure alpine stream food webs in the Teton Range, Wyoming, USA
Authors: Jorgenson Karen L. , Hotaling Scott , Tronstad Lusha M. , Finn Debra S. , Collins Sarah M.
Published: October 2024

Understanding biotic interactions and how they vary across habitats is important for assessing the vulnerability of communities to climate change. Receding glaciers in high mountain areas can lead to the hydrologic homogenization of streams and reduce habitat heterogeneity, which are predicted to drive declines in regional diversity and imperil endemic species. However, little is known about food web structure in alpine stream habitats, particularly among streams fed by different hydrologic sources (e.g., glaciers or snowfields). We used gut content and stable isotope analyses to characterize food web structure of alpine macroinvertebrate communities in streams fed by glaciers, subterranean ice, and seasonal snowpack in the Teton Range, Wyoming, USA. Specifically, we sought to (1) assess community resource use among streams fed by different hydrologic sources, (2) explore how variability in resource use relates to feeding strategies, and (3) identify which environmental variables influenced resource use within communities. Average taxa diet differed among all hydrologic sources, and food webs in subterranean ice‐fed streams were largely supported by the gold alga Hydrurus. This finding bolsters a hypothesis that streams fed by subterranean ice may provide key habitat for cold‐water species under climate change by maintaining a longer growing season for this high‐quality food resource. While a range of environmental variables associated with hydrologic source (e.g., stream temperature) were related to diet composition, hydrologic source categories explained the most variation in diet composition models. Less variable diets within versus among streams suggest high trophic flexibility, which was further supported by high levels of omnivory. This inherent trophic flexibility may bolster alpine stream communities against future changes in resource availability as the mountain cryosphere fades. Ultimately, our results expand understanding of the habitat requirements for imperiled alpine taxa while empowering predictions of their vulnerability under climate change.
A Novel Gold Nanoparticle‐Ionic Liquid Nanostructure Modified Pleurotus Ostreatus Based Microbial Biosensor System For Bisphenol A
Authors: Akyilmaz Erol , Ozturk Efe Deniz , Yasa Ihsan , Turkmen Hayati , Emin Gunay M.
Published: October 2024

The current study develops the first and novel gold nanoparticle‐ionic liquid nanostructure modified microbial biosensor based on Pleurotus ostreatus for the sensitive determination of Bisphenol A. In the construction of the microbial biosensor, lyophilized P.ostreatus cells were modified with ionic liquid‐cysteamine mixture on a gold electrode which was modified with 1,6‐hexanedithiol and gold nanoparticle. The measurement principle of the biosensor is based on the detection of changes in current in a phosphate buffer system (pH 7.5, 50 mM and containing 5.0 mM K3[Fe(CN)6]) in the potential range of −0.2 to +0.6 V depending on the BPA concentration. In the optimization studies of the microbial biosensor; the most suitable ionic liquid‐cysteamin ratio was 1 : 2 (v/v) and the incubation time of 1,6‐hexanedithiol on the gold electrode was 6 hours. Optimum working conditions were determined to be pH:7.5, 100 mM potassium phosphate buffer, and 35°C. In the characterization studies of the microbial biosensor, parameters such as linearity, interference effects of some substances on the microbial biosensor responses, repeatability, reproducibility and storage stability of the microbial biosensor were determined. The linear range of the biosensor was obtained 10–250 μM. Limit of detection was determined to be 1.57 μM and the response time was obtained 20 seconds. Real sample analysis was carried out by water samples that kept in plastic bottles for 6 months by using both the microbial biosensor and HPLC method.
Two‐Dimensional Solidification Simulation of PCM Molten Salt as a Thermal Energy Storage for Stirling Engine
Authors: Putra Gerardo Janitra Puriadi , Putra Nandy
Published: October 2024

Thermal energy storage technologies have been widely used to mitigate intermittency from renewable energy sources such as solar energy. Phase change material (PCM) is a material that can be used as a heat storage medium and is available in a wide range of operating temperatures. Molten salt is one of the PCMs that has the advantage of a very high operating temperature. The PCM solidification simulation based on HitecXL molten salt using COMSOL Multiphysics software was carried out with variations in heat absorption of 1–5 kW/m2, assuming constant heat absorption. The results showed that the PCM solidification process started from the surface of the Stirling engine heat exchanger pipe. The part of the PCM that is solidified falls due to gravity, causing a phenomenon similar to a droplet. The flow that occurred was natural, driven by the buoyancy force resulting from density changes due to temperature gradients in the solidification process. The time required for the PCM to completely solidify was closely related to the amount of heat absorption; the greater the heat absorption from the pipe, the faster the PCM is fully solidified.
Cultivating STEAM teachers: A regional resource‐based model for normal university students in Chongqing
Authors: Lin Yun , Li Ni
Published: October 2024

The cultivation of innovative talents with interdisciplinary skills is a central goal of STEAM education, and the success of STEAM education hinges on the availability of qualified STEAM teachers. This study explores how to integrate STEAM awareness, understanding, and curriculum development into the teacher education and major course learning system of normal university students in Chongqing, China. Drawing upon the region's rich resources, the study proposes a three‐level STEAM teacher training model. At the macro level, the model advocates for a collaborative educational ecosystem involving government, schools, businesses, and society. At the meso level, it presents a 4‐year curriculum model that progressively cultivates preservice teachers' interdisciplinary thinking, integration skills, and pedagogical competence. At the micro level, the model explores effective pedagogical methods and strategies for implementing STEAM projects in real‐world teaching scenarios. This regional resource‐based model offers a “Chongqing plan” for training STEAM teachers and ensuring a sustainable supply of innovative talents to support the region's economic and social development.
Robust Estimation of Multivariate Time Series Data Based on Reduced Rank Model
Authors: Xu Tengteng , Deng Ping , Zhang Riquan , Zhao Weihua
Published: October 2024

Multivariate time series analysis uncovers the intricate relationships among multiple variables, which plays a vital role in areas such as policy‐making and business decision‐making. This paper employs a reduced rank regression model to investigate a robust estimation method for multivariate time series data using an
penalty. The goal is to achieve rapid parameter estimation while ensuring robustness in the analysis of time series data. This study provides a detailed description of the solution process and examines the theoretical properties of the proposed method. To evaluate its effectiveness, the proposed model is compared with full‐rank regression and the multivariate regression with covariance estimation (MRCE) method through simulations, as well as an analysis of the Sceaux household electric power consumption data. The results indicate that the proposed model performs well.
Determining Factors Which Limit Resectability in Advanced Hypopharyngeal Malignancy
Authors: Hintze Justin M. , Cleere Eoin , O'Riordan Isobel , Timon Conrad , Kinsella John , Lennon Paul , Fitzgerald Conall W. R.
Published: October 2024

Background

Preoperative radiological findings of hypopharyngeal cancers are used to determine suitability for surgical resection. We sought to examine preoperative imaging characteristics to determine how well imaging findings predicted surgical resectability.

Methods

A retrospective case–control study of patients undergoing a pharyngolaryngectomy in a tertiary referral center over a 2‐year period was completed. Demographic details, previous treatment, subsite, TNM staging, imaging characteristics, and operative characteristics were collected.

Results

A total of 78 patients met initial inclusion criteria, of which 71 patients ultimately underwent successful surgical resection (91.1%). Preoperative images identified suspicion of prevertebral fascia invasion in 24 (30.7%) cases and carotid artery involvement in 14 (17.9%) cases. In cases of suspicion of prevertebral fascia invasion (24), 19 cases (79.2%) were resectable, and in those with carotid artery involvement (14), 11 (78.6%) were resectable. Concern for prevertebral fascia invasion on radiology led to a higher likelihood of a close margin (42% vs. 17%) in those without concerning features (p = 0.088).

Conclusions

The present study demonstrated a high rate of resectability of hypopharyngeal and upper esophageal cancers despite imaging findings suspicious for factors that could limit resectability. In patients with advanced hypopharyngeal, especially in the salvage setting, surgery should be considered.
Outcome differences of emergency cesarean delivery in the delivery room versus the operating room: A study based on propensity score matching
Authors: Zhao Kaisun , Yuan Chunlan , He Shimei , Yan Jian , Huang Jianchun
Published: October 2024

Objective

This study sought to compare the risks and outcomes associated with category I cesarean section procedures performed in the delivery room versus those performed in the operating room.

Patients and Methods

The analysis included 126 singleton pregnant women who underwent inpatient delivery at the Second People's Hospital of Nanning between January 2021 and May 2024. Following propensity score matching, 21 cases were in the delivery room group, and 105 cases were in the operating room group. Parameters under investigation encompassed decision‐to‐delivery interval, incision‐to‐delivery interval, surgical duration, intraoperative blood loss, postoperative antibiotic duration, postoperative hospital stay length, postoperative fever incidence, adverse neonatal outcomes, and blood routine parameters.

Results

The decision‐to‐delivery interval was significantly shorter in the delivery room group than in the operating room group. Conversely, the delivery room group exhibited longer surgical durations, higher blood loss, prolonged postoperative antibiotic usage, extended hospital stays, and elevated white blood cell counts with statistical significance (p < 0.05). Nevertheless, no notable variations were observed between the groups in maternal and neonatal outcome indicators, such as adverse neonatal outcomes and postoperative fever rates.

Conclusions

The outcomes suggest that the delivery room group showed increased risks compared with the operating room group, potentially indicating heightened vulnerabilities to bleeding and infection. Hence, it is advisable for patients to undergo surgery in the operating room unless the delivery room is equipped with sterile surgical facilities or in cases of urgent necessity.
A case of rapidly progressive prostate cancer with bone and lymph node metastasis after contact laser vaporization for benign prostatic hyperplasia
Authors: Muraoka Kei , Fujisaki Akira , Uchida Kosuke , Hakamata Yasuhiro , Kanda Yuka , Sugiura Kota , Yoshida Masashi , Imai Shin , Otsuki Yoshiro , Yoneda Tatsuaki
Published: October 2024

Introduction

Prostate cancer is incidentally diagnosed in 6%–11% of benign prostatic hyperplasia surgeries.

Case presentation

A 79‐year‐old man was diagnosed with benign prostatic hyperplasia. The prostate volume was 54.5 mL, and the prostate‐specific antigen level was 7.121 ng/mL. Magnetic resonance imaging and prostate biopsy were not performed. He then underwent contact laser vaporization of the prostate. After 3 months, gross hematuria occurred, and the prostate‐specific antigen level was 62.495 ng/mL. Cystoscopy and magnetic resonance imaging revealed prostate cancer with bladder invasion. Prostate biopsy and transurethral resection were performed, revealing adenocarcinoma with a Gleason score of 5 + 5. The patient was diagnosed with prostate cancer T4N1M1b, and triplet therapy was initiated. After 6 months, the prostate‐specific antigen level was 0.037 ng/mL, and the metastases had shrunk.

Conclusion

Vaporization for high‐grade prostate cancer can lead to rapid progression. Therefore, screening for prostate cancer before benign prostatic hyperplasia surgery is important.
Emerging role of gut microbiota extracellular vesicle in neurodegenerative disorders and insights on their therapeutic management
Authors: Hassan Adil , Huang Yin , Mahjabina  , Sudiro Otmilda Hapsari , Wang Xiangxiu , He Jingqin , Wei Yan , Liao Xiaoling , Wang Guixue
Published: October 2024

Targeting gut flora to lower sickness risk is a growing scientific subject. The intricate network of microorganisms (gut microbiota) in the human intestines regulates many physiological systems and may be important for general health. Recent research has shown a dynamic relationship between gut microbiota and central nervous system (CNS). Dysbiosis is key to establishing and progressing human diseases, including neurodegenerative disorders. Recently, gut microbiota extracellular vesicles (GMEVs) have been suggested as brain‐gut communication carriers. Vesicle components contact immune receptors, initiating neuroinflammatory immune responses and causing neurodegenerative diseases. This study seeks to explain how the gut microbiota and its extracellular vesicles cause or worsen neurodegenerative diseases. We also highlighted recent advances in our understanding of these GMEVs' and cargo's routes, which could be used in drug delivery treatments. This study also examines the current state and potential therapeutic effects of GMEVs on neurodegenerative illnesses.
6G Self‐Evolution Network for IoT Using Rainbow Deep Q‐Network Based on Decision‐Making
Authors: Reddy Satti Sudha Mohan , Chintapalli Siva Surya Narayana , Alkhayyat Ahmed , Varma P. Ravi Kiran , Singh Satya Prakash
Published: October 2024

In recent trends, the development of 6G technology has provided a critical focus on its core network architecture which facilitates the robust foundation for entire network. A solution of self‐evolving networks for 6G is under consideration, in which networks develop their autonomy as a key perspective in the decision‐making process. Till now, various decision‐making mechanisms are identified, such as their key features, individual theoretical analyzes, and customized for 6G networks. To reduce the network load and improve system utilization, a decision‐making based on Rainbow Deep Q‐Network (RDQN) is proposed in this research. This methodology considers distributed decision‐making scenarios in which IoT devices enhance the quality of experience (QoE) with low training. Furthermore, it aims at a community of self‐evolving networks to show the improvements in 6G technologies and accelerates the learning rate. From the result analysis, it evidently displays that proposed RDQN has better training rate than other algorithms and requires fewer rounds of approximately 20 for a high number of episodes (500). Similarly, while evaluating QoE utility value, the proposed RDQN demonstrates a higher value of 100 when the number of target customers is large which outperforms the other existing models. The above results prove that the proposed RDQN is more efficient in IoT traffic monitoring and more suitable for the 6G environment.
Influence of Growth, Capital Structure, Profitability, and Size on FTSE 100 Enterprise Value
Authors: Akin Isik , Akin Meryem , Satiroglu Hakan , Jhamb Mahak
Published: October 2024

This study aims to examine the influence of growth, capital structure, and profitability on enterprise value (EV) using data from the FTSE 100 companies. It seeks to identify the pivotal elements related to the EV and understand how they interact with each other. The study collects data from the annual reports of FTSE 100 companies for the period of 2019–2023. Regression analyses are conducted to examine the relationships between the variables after robust checks. The analysis reveals that capital structure and business size have a major impact on EV, with larger firms and higher levels of debt financing associated with higher EVs. However, there is no significant relationship between growth rate and EV. The impact of profitability on EV is mixed, with return on assets (ROA) showing a weak negative correlation and return on equity (ROE) showing a weak positive correlation. By offering particular insights into the factors that determine EV within the FTSE 100, this study fills in the gaps in the body of previous research. It offers valuable contributions to both academic research and practical applications by exploring the nuanced dynamics of the connections between EV and growth, capital structure, and profitability.
Investigation of the complete encapsulation process of the noble gases by cryptophanes
Authors: Ćoćić Dušan , Yang Liu , Puchta Ralph , Shi Tiesheng , van Eldik Rudi
Published: October 2024

Based on DFT calculations (ωB97XD/def2‐SVP/SVPfit), the ability and mechanism of noble gas encapsulation by series of cryptophanes were investigated. The focus was set to study the influence of different functionalization groups placed at the “gates” of cryptophanes cavity entrance by which the energy criteria were chosen as a main indicator for selective encapsulation of noble gases. Chosen functionalization groups were CH3, OCH3, OH, NH2, and Cl, and the encapsulation process of these cryptophanes was compared to a cryptophane without any functionalization group on its outer rim. Those groups were selected based on their different chemical properties and based on their size which will subsequently put additional steric restrictions on the cavity entrance. Chosen functionalization groups, beside their steric influence on the energy barrier magnitude, influence also the gating process through its chemical nature by which they can put an additional stabilization on noble gases encapsulation transition states enhancing the encapsulation process. Objective of this study was clearly to get better insights on the influence of those functional groups on the whole encapsulation process of noble gases. Large‐size noble gases (Xe and Rn) from all noble gases are best accommodated in the cavities of selected cryptophanes, on the other hand these noble gases require to pass the highest energy barrier through the gating process. From the series of investigated cryptophanes, the cryptophane with the OCH3 functionalization group has been identified as the one with the best capabilities to host investigated noble gases, but on the other side this cryptophane puts the highest energy criteria required for the previous gating process.
A novel MAOA gene variant: Brunner syndrome, a rare syndrome, is associated with a wide range of psychiatric symptoms
Authors: Ünsel‐Bolat Gül , Turan Sıla , Bolat Hilmi
Published: October 2024

Brunner syndrome is a rare genetic disorder that associated with mutations in the MAOA gene. It has been linked to a number of psychiatric disorders. We present detailed information on psychiatric evaluation of a case carrying a novel MAOA gene variant of p.(Thr408Met). The patient was referred to our clinic with a history of attention problems, motor coordination difficulties and a tendency to bite objects. Following a comprehensive psychiatric evaluation, the patient was diagnosed with developmental coordination disorder, articulation disorder and attention deficit hyperactivity disorder (ADHD). MAOA mutations are rarely reported in the literature. To date, a total of 23 MAOA gene variants, mostly missense variants, have been reported through the HGMD database (Professional 2023.4).

Neurodevelopmental symptoms may vary in severity and diversity among patients with Brunner syndrome. Different degrees of intellectual disability have been found in previously reviewed cohorts of Brunner syndrome. In our affected patient, cognitive development and academic achievement were at a similar level to his peers. Additionally, our patient exhibited symptoms suggestive of developmental coordination disorder. Our findings show that genetic mutations in MAOA can lead to a wide range of clinical symptoms and underline the need for comprehensive genetic and clinical evaluations.
Evaluation of resurgence following differential reinforcement of alternative behavior with and without extinction in a human operant model
Authors: DeWitt Skylar , Briggs Adam M.
Published: October 2024

One of the most common treatments for severe challenging behavior involves placing the challenging behavior on extinction and differentially reinforcing an alternative response (DRA). However, extinction is not always feasible and may be unsafe or impractical to implement in some circumstances. Thus, implementing a DRA without extinction intervention may be necessary for some cases. Currently, the extent to which DRA without extinction produces durable treatment outcomes, particularly as it relates to the resurgence of challenging behavior, is unclear. The present study investigated resurgence following DRA with and without extinction using a three‐phase resurgence evaluation in a translational human operant model with college students as participants. All participants demonstrated resurgence across both experimental groups. Although there were no statistically significant differences in the prevalence, magnitude, or persistence of resurgence between groups, levels of resurgence magnitude were relatively higher in the DRA‐without‐extinction group than in the DRA‐with‐extinction group. Clinical implications of these findings and directions for future human operant investigations of resurgence are discussed.
A Synthetic Route Towards Spiro Indanone Fused Pyrano[2,3‐c]Chromene Derivatives via Oxa–Diels–Alder Reaction: Computational Investigation, Antibacterial Evaluation and Molecular Docking Studies as Potential DNA Gyrase Inhibitors
Authors: Panda Jasmine , Brahma Beli , Nayak Sabita , Mohapatra Seetaram , Raiguru Bishnu Prasad , Rout Saiprakash , Parida Sonali Priyadarshini , Naithani Kaushal
Published: October 2024

A highly efficient method for the synthesis of 2′H‐spiro[indene‐2,3′‐pyrano[2,3‐c]chromene] derivatives 20(a–s) has been developed involving oxa–Diels–Alder reaction as the key step under conventional conditions in good to excellent yields. The compounds were all characterized using 1H, 13C NMR, HRMS, and X‐ray crystallography. The present study employs DFT to validate the reaction pathway. In vitro antibacterial assay of all the synthesized derivatives was evaluated against Gram‐negative Escherichia coli and Gram‐positive Staphylococcus aureus bacterial strains. Compound 20e was found to be the most potent molecule with ZI of 19 mm and MIC of 16 μg mL−1 in E. coli and ZI of 14 mm and MIC of 32 μg mL−1 in S. aureus. Additionally, 20e demonstrated a strong inhibition of DNA gyrase in silico, with a binding affinity of −9.3 and − 9.0 kcal/mol in E. coli and S. aureus respectively. Also, significant pharmacokinetic, physicochemical, and drug‐like properties of the spirocyclic compounds were further corroborated by ADME investigations. Hence, these new series of spiro indanone fused pyrano[2,3‐c]chromene derivatives may be potent druggable antibacterial agents in future.
Reproducibility of Cardiac Multifrequency MR Elastography in Assessing Left Ventricular Stiffness and Viscosity
Authors: Castelein Johannes , Duus Amanda S. , Bække Pernille S. , Sack Ingolf , Anders Matthias S. , Kettless Karen , Hansen Adam E. , Dierckx Rudi A. J. O. , De Backer Ole , Vejlstrup Niels G. , Lund Morten A. V. , Borra Ronald J. H.
Published: October 2024

Background

Cardiac magnetic resonance elastography (MRE) shows promise in assessing the mechanofunctional properties of the heart but faces clinical challenges, mainly synchronization with cardiac cycle, breathing, and external harmonic stimulation.

Purpose

To determine the reproducibility of in vivo cardiac multifrequency MRE (MMRE) for assessing diastolic left ventricular (LV) stiffness and viscosity.

Study Type

Prospective.

Subjects

This single‐center study included a total of 28 participants (mean age, 56.6 ± 23.0 years; 16 male) consisting of randomly selected healthy participants (mean age, 44.6 ± 20.1 years; 9 male) and patients with aortic stenosis (mean age, 78.3 ± 3.8 years; 7 male).

Field Strength/Sequence

3 T, 3D multifrequency MRE with a single‐shot spin‐echo planar imaging sequence.

Assessment

Each participant underwent two cardiac MMRE examinations on the same day. Full 3D wave fields were acquired in diastole at frequencies of 80, 90, and 100 Hz during a total of three breath‐holds. Shear wave speed (SWS) and penetration rate (PR) were reconstructed as a surrogate for tissue stiffness and inverse viscous loss. Epicardial and endocardial ROIs were manually drawn by two independent readers to segment the LV myocardium.

Statistical Tests

Shapiro–Wilk test, Bland–Altman analysis and intraclass correlation coefficient (ICC). P‐value <0.05 were considered statistically significant.

Results

Bland–Altman analyses and intraclass correlation coefficients (ICC = 0.96 for myocardial stiffness and ICC = 0.93 for viscosity) indicated near‐perfect test–retest repeatability among examinations on the same day. The mean SWS for scan and re‐scan diastolic LV myocardium were 2.42 ± 0.24 m/s and 2.39 ± 0.23 m/s; the mean PR were 1.24 ± 0.17 m/s and 1.22 ± 0.14 m/s. Inter‐reader variability showed good to excellent agreement for myocardial stiffness (ICC = 0.92) and viscosity (ICC = 0.85).

Data Conclusion

Cardiac MMRE is a promising and reproducible method for noninvasive assessment of diastolic LV stiffness and viscosity.

Level of Evidence

2

Technical Efficacy

1
Examining the associations between posttraumatic stress disorder symptom clusters across cognitive processing therapy
Authors: May Casey L. , Stayton‐Coe Laura , Chard Kathleen M.
Published: October 2024

Cognitive processing therapy (CPT) is a well‐known trauma‐focused treatment that aims to generate more adaptive posttrauma cognitions and emotions. Changes in cognitions are theorized to be the mechanism by which CPT leads to improvement in posttraumatic stress disorder (PTSD) symptoms. The present study aimed to explore associations between changes in PTSD symptom clusters during CPT. We hypothesized that early changes in negative alterations in cognitions and mood (NACM) would correlate with later changes in other symptom clusters. Data were collected from 296 veterans participating a 7‐week PTSD residential treatment program at a U.S. Veterans Affairs medical center. PTSD symptoms were assessed at pretreatment (Week 1), midtreatment (Week 4), and posttreatment (Week 7). Cross‐lagged path analyses demonstrated that pretreatment‐to‐midtreatment improvement in NACM was correlated with midtreatment‐to‐posttreatment improvement in avoidance, β = .52, though this association was bidirectional, suggesting pretreatment‐to‐midtreatment improvements in either cluster may be correlated with midtreatment‐to‐posttreatment improvements. Similarly, pretreatment‐to‐midtreatment improvement in intrusions, β = .40, and arousal, β = .49, were correlated with later improvement in avoidance, suggesting avoidance may improve after improvement in other clusters. Interestingly, pretreatment‐to‐midtreatment arousal improvement was significantly correlated with midtreatment‐to‐posttreatment NACM improvement, β = .27, though the reverse was nonsignificant, whereas a bidirectional association between arousal and intrusions emerged, β = .34, β = .53. Early changes in arousal were correlated with later changes in several other symptom clusters, whereas other clusters demonstrated bidirectional associations. These results may inform understanding of symptom improvement timing across CPT, which may aid in treatment selection and planning.
A Wearable, Steerable, Transcranial Low‐Intensity Focused Ultrasound System
Authors: Bawiec Christopher R. , Hollender Peter J. , Ornellas Sarah B. , Schachtner Jessica N. , Dahill‐Fuchel Jacob F. , Konecky Soren D. , Allen John J. B.
Published: October 2024

Objectives

Transcranial low‐intensity focused ultrasound (LIFU) offers unique opportunities for precisely neuromodulating small and/or deep targets within the human brain, which may be useful for treating psychiatric and neurological disorders. This article presents a novel ultrasound system that delivers focused ultrasound through the forehead to anterior brain targets and evaluates its safety and usability in a volunteer study.

Methods

The ultrasound system and workflow are described, including neuronavigation, LIFU planning, and ultrasound delivery components. Its capabilities are analyzed through simulations and experiments in water to establish its safe steering range. A cohort of 20 healthy volunteers received a LIFU protocol aimed at the anterior medial prefrontal cortex (amPFC), using imaging and questionnaires to screen for adverse effects. Additional development after the study also analyzes the effect of the skull and sinus cavities on delivered ultrasound energy.

Results

Simulations and hydrophone readings agreed with <5% error, and the safe steering range was found to encompass a 1.8 cm × 2.5 cm × 2 cm volume centered at a depth 5 cm from the surface of the skin. There were no adverse effects evident on qualitative assessments, nor any signs of damage in susceptibility‐weighted imaging scans. All participants tolerated the treatment well. The interface effectively enabled the users to complete the workflow with all participants. In particular, the amPFC of every participant was within the steering limits of the system. A post hoc analysis showed that “virtual fitting” could aid in steering the beams around subjects' sinuses.

Conclusions

The presented system safely delivered LIFU through the forehead while targeting the amPFC in all volunteers, and was well‐tolerated. With the capabilities validated here and positive results of the study, this technology appears well‐suited to explore LIFU's efficacy in clinical neuromodulation contexts.
Kinetic investigation on palladium‐catalyzed carbonylation of allyl alcohol
Authors: Tonde Sunil S. , Rajurkar Kalpendra B. , Pagar Nitin S.
Published: October 2024

Palladium‐catalyzed carbonylation of allyl alcohol to 3‐butenoic acid has been investigated. A significant effect of halide promoters, p‐tolylsulfonic acid (TsOH), water, solvents, and PPh3 concentration activity and selectivity has been studied. Detailed kinetics of this reaction was investigated in a temperature range of 363–383 K. The influence of parameters such as stirring speed, allyl alcohol, catalyst, benzyltriethylammonium chloride (BTEAC), TsOH concentrations, and CO partial pressures on the activity and selectivity has been studied. An empirical rate equation was suggested and found to be fairly consistent with observed rate data. In addition, the activation energy and kinetic parameters were evaluated.
FOS‐Mediated PLCB1 Induces Radioresistance and Weakens the Antitumor Effects of CD8+ T Cells in Triple‐Negative Breast Cancer
Authors: Shu Yuxian , Lan Jun , Luo Huijing , Fu Huiying , Xiao Xuhuang , Yang Liping
Published: October 2024

Radioresistance and immune evasion are interactive and crucial events leading to treatment failure and progression of human malignancies. This research studies the role of phospholipase C beta 1 (PLCB1) in these events in triple‐negative breast cancer (TNBC) and the regulatory mechanism. PLCB1 was bioinformatically predicted as a dysregulated gene potentially linked to radioresistance in TNBC. Parental TNBC cell lines were exposed to fractionated radiation for 6 weeks. PLCB1 expression was decreased in the first 2 weeks but gradually increased from Week 3. PLCB1 knockdown increased the radiosensitivity of the cells, as manifested by a decreased half‐inhibitory dose of irradiation, reduced cell proliferation, apoptosis resistance, mobility, and tumorigenesis in mice. The FOS transcription factor promoted PLCB1 transcription and activated the PI3K/AKT signaling. Knockdown of FOS similarly reduced radioresistance and T cells‐mediated immune evasion. However, the radiosensitivity of TNBC cells and the antitumor effects of CD8+ T cells could be affected by a PI3K/AKT activator or by the PLCB1 upregulation. The PLCB1 or FOS knockdown also suppressed radioresistance and tumorigenesis of the TNBC cells in mice. In conclusion, FOS‐mediated PLCB1 induces radioresistance and weakens the antitumor effects of CD8+ T cells in TNBC by activating the PI3K/AKT signaling pathway.
The uniqueness of minimizers for L2‐subcritical inhomogeneous variational problems with a spatially decaying nonlinearity
Authors: Fu Yunxia , Liu Xinji , Wu Shuang
Published: October 2024

By constructing various Pohozaev identities, we study the uniqueness of minimizers for
‐subcritical inhomogeneous variational problems with spatially decaying nonlinear terms, which contains
as a singular point.
Toward quantitative CEST imaging of glutamate in the mouse brain using a multi‐pool exchange model calibrated by 1H‐MRS
Authors: Maguin Cécile , Mougel Eloïse , Valette Julien , Flament Julien
Published: October 2024

Purpose

To develop a CEST quantification model to map glutamate concentration in the mouse brain at 11.7 T, overcoming the limitations of conventional glutamate‐weighted CEST (gluCEST) contrast (magnetization transfer ratio with asymmetric analysis).

Methods

1H‐MRS was used as a gold standard for glutamate quantification to calibrate a CEST‐based quantitative pipeline. Joint localized measurements of Z‐spectra at B1 = 5 μT and quantitative 1H‐MRS were carried out in two voxels of interest in the mouse brain. A six‐pool Bloch‐McConnell model was found appropriate to fit experimental data. Glutamate exchange rate was estimated in both regions with this dedicated multi‐pool fitting model and using glutamate concentration determined by 1H‐MRS.

Results

Glutamate exchange rate was estimated to be ˜1300 Hz in the mouse brain. Using this calibrated value, maps of glutamate concentration in the mouse brain were obtained by pixel‐by‐pixel fitting of Z‐spectra at B1 = 5 μT. A complementary study of simulations, however, showed that the quantitative model has high sensitivity to noise, and therefore, requires high‐SNR acquisitions. Interestingly, fitted [Glu] seemed to be overestimated compared to 1H‐MRS measurements, although it was estimated with simulations that the model has no intrinsic fitting bias with our experimental level of noise. The hypothesis of an unknown proton‐exchanging pool contributing to gluCEST signal is discussed.

Conclusion

High‐resolution mapping of glutamate in the brain was made possible using the proposed calibrated quantification model of gluCEST data. Further studying of the in vivo molecular contributions to gluCEST signal could improve modeling.
Design method of transverse gradient coils based on nonuniform rational B‐spline (NURBS) curves
Authors: Zhu Chenxi , Song Weiran , Liu Lifei
Published: October 2024

Purpose

To propose a hybrid transverse gradient coil design method that leverages current density‐based methods and nonuniform rational B‐spline (NURBS) curves to optimize the performance and manufacturability of gradient coils.

Methods

Our method begins by generating an initial wire configuration using a density‐based method. Then, we fit NURBS curves to the configuration, and adjust the control parameters of these curves to meet performance requirements. To ensure adequate spacing and even distribution of wires, an objective function utilizing the sigmoid function to modulate the distances between adjacent wires is constructed. Critical factors including gradient efficacy, linearity, eddy current, and torque, are incorporated as constraints. The piecewise nature of the curves provides the flexibility to independently control specific segments without impacting others.

Results

We validated our method by designing three shielded transverse gradient coils: a whole‐body coil, an ultra‐short whole‐body coil, and an ultra‐short asymmetric head coil. The primary design objectives were to improve linearity and maintain gradient efficiency. All optimized coils demonstrated significant linearity across large diameters of spherical volumes (DSVs), while gradient efficiency, eddy currents, and torque were well‐balanced. The objective function effectively managed the wire concentrations required for high linearity, ensuring even wire arrangement and adequate spacing. We leveraged the flexibility of the curves to individually tailor wire paths for specific objectives, such as preventing interference between coils and passive shimming and accommodating wire connections and cooling circuits.

Conclusion

This method provides a versatile and effective approach for designing high‐performance and manufacturable gradient coils.