bluuebunny/crossref_metadata_2025 huggingface dataset:
NetTCR 2.2 - Improved TCR specificity predictions by combining pan- and peptide-specific training strategies, loss-scaling and integration of sequence similarity
Authors: Jensen Mathias Fynbo , Nielsen Morten
Published: December 2023

The ability to predict binding between peptides presented by the Major Histocompatibility Complex (MHC) class I molecules and T-cell receptors (TCR) is of great interest in areas of vaccine development, cancer treatment and treatment of autoimmune diseases. However, the scarcity of paired-chain data, combined with the bias towards a few well-studied epitopes, has challenged the development of pan-specific machine-learning (ML) models with accurate predictive power towards peptides characterized by little or no TCR data. To deal with this, we here benefit from a larger paired-chain peptide-TCR dataset and explore different ML model architectures and training strategies to better deal with imbalanced data. We show that while simple changes to the architecture and training results in greatly improved performance, particularly for peptides with little available data, predictions on unseen peptides remain challenging, especially for peptides distant to the training peptides. We also demonstrate that ML models can be used to detect potential outliers, and that the removal of such outliers from training further improves the overall performance. Furthermore, we show that a model combining the properties of pan-specific and peptide-specific models achieves improved performance, and that performance can be further improved by integrating similarity-based predictions, especially when a low false positive rate is desirable. Moreover, in the context of the IMMREP benchmark, this updated modeling framework archived state-of-the-art performance. Finally, we show that combining all these approaches results in acceptable predictive accuracy for peptides characterized with as little as 15 positive TCRs. This observation thus places great promise on rapidly expanding the peptide covering of the current models for predicting TCR specificity. The final NetTCR 2.2 models are available at https://github.com/mnielLab/NetTCR-2.2, and as a web server at https://services.healthtech.dtu.dk/services/NetTCR-2.2/.
Designing ‘Swedishness’
Authors: Dotlacilova Petra
Published: December 2023

This article explores the early development of Swedish costume design during the reign of Gustav III (1771-1792). From the beginning of his rule, the Swedish king consciously and actively developed the local cultural scene, funded the Swedish Royal Opera and other institutions, as well as wrote and performed theatrical works himself. He also intervened in the scenography of pieces and was very interested in dress in general, using it often for his political aims. Theatre and dress were not only treated as aesthetic objects, but also as tools for creating a sense of Swedish national identity among the people.
The ‘Swedishness’ of costume design is thus primarily connected to the subjects represented in those initial plays which addressed Swedish themes: historical figures and people from different Swedish regions. On the other hand, both the designers and forms used to create this Swedish design were often imported and adapted from abroad, especially from France and Italy. Using a transnational perspective and material-oriented approach, this study examines certain strategies and milestones in Swedish costume making, highlighting international exchange, but also showing unique cases of adaptation to the local stage.
Europeisering av regionale beslutningsprosesser
Authors: Teigen Dag Ole
Published: December 2023

Nyere litteratur undersøker i forholdsvis liten grad europeisering av sub-nasjonale styringsnivåer, særlig med hensyn til enhetsstater og/eller tett integrerte ikke-medlemsstater. Denne artikkelen analyserer europeisering av sluttfasen i norske fylkeskommunale beslutningsprosesser. Ved å ta empirisk utgangspunkt i et sub-nasjonalt styringsnivå i en mindre enhetsstat og tett integrert ikke-medlemsland, bidrar artikkelen til å utvide litteraturen om «top-down»-europeisering med et «less likely case». Artikkelen viser hvordan ulike politikkområder også i sluttfasen av beslutningsprosessene berøres av europeisering i ulik grad, med potensielle implikasjoner for tverrsektoriell samordning, og for den reelle styringen av regionale beslutningsprosesser. Europeisering kan bl.a. utfordre tverrsektoriell samordning ved å bidra til at europeiserte «enklaver» i fylkesadministrasjonene utvikler en annen beslutningsadferd enn andre deler av administrasjonene. Artikkelen reiser spørsmål om hvorvidt europeisering og flernivåadministrative prosesser kan svekke mulighetene for overordnet styring av sub-nasjonale enheters samlede oppgaveporteføljer. Artikkelen kombinerer kvantitative teknikker (N=1109) med kvalitativ tekstanalyse.
Bitcoin volatility in bull vs. bear market-insights from analyzing on-chain metrics and Twitter posts
Authors: Baroiu Alexandru Costin , Diaconita Vlad , Oprea Simona Vasilica
Published: December 2023

Cryptocurrencies have emerged as a popular investment vehicle, prompting numerous efforts to predict market trends and identify metrics that signal periods of volatility. One promising approach involves leveraging on-chain data, which is unique to cryptocurrencies. On-chain data, extracted directly from the blockchain, provides valuable information, such as the hash rate, total transactions, or the total number of addresses that hold a specified amount of cryptocurrency. Some studies have also explored the relationship between social media sentiment and Bitcoin, using data from platforms such as Twitter and Google Trends. However, the quality of Twitter sentiment analysis has been lackluster due to suboptimal extraction techniques. This research proposes a novel approach that combines a superior sentiment analysis technique with various on-chain metrics to improve predictions using a deep learning architecture based on long-short term memory (LSTM). The proposed model predicts outcomes for multiple time horizons, ranging from one day to 14 days, and outperforms the Martingale (random walk) approach by over 9%, as measured by the mean absolute percentage error metric, as well as recent results reported in literature. To the best of our knowledge, this study may be among the first to employ this combination of techniques to improve cryptocurrency market prediction.
Brain self-regulation learning in the neurocomputational framework of active inference
Authors:   , Vargas González Gabriela Adriana
Published: December 2023

Neurofeedback (NF), a cutting-edge technique in the realm of brain-computer interfaces (BCI), has proven to be a powerful tool for both scientific exploration and clinical rehabilitation. NF provides individuals with real-time information about their neural processes, enabling them to modulate and regulate their brain activity—a phenomenon known as 'brain self-regulation learning'. While NF holds great promise, it faces an efficiency hurdle. Remarkably, only 50% of participants successfully achieve self-regulation, limiting its clinical adoption. Existing models have struggled to fully elucidate the intricate interplay between reward mechanisms and cognitive functions, without fully succeeding. Herein lies the significance of Active Inference—a theoretical framework that illuminates this complex relationship. To address this gap, we propose using the framework of Active inference to understand the neural processes underlying self-regulation learning. Active inference provides a statistical model of the brain and a combination of computational modeling and neuroimaging techniques. By analyzing real-time functional MRI data and implementing agent-based simulations, we identify that learners exhibit a hierarchical computational anatomy as the neural substrate that supports the internal dynamics of the brain. Our findings underscore the importance of cognitive processes in self-regulation learning and provide insights for optimizing NF protocols.
Factors Influencing Profit Chain of Little Millet by Farmer Producer Organization Farmers, Processors and Marketers in Tamil Nadu, India
Authors: Parasuraman Balaji , Mohanraj T. , Vidhyavathi A. , Karhikeyan C. , Kathiravan M.
Published: December 2023

Little millet, a significant part of the Indian diet known for its health benefits. The study focuses the factors influencing Profit chain of little millet by FPO farmers, processor and retailers.  The research focuses on Northern Tamil Nadu, analysing profitability for producers (75), processors (10), and marketers (10). A total sample of 95 respondents were surveyed using structured interview schedule.  Key factors influencing profit chain were identified using multiple linear regression model. For producers, Nitrogen and Potash fertilizer positively impact profits, while labour and seed exhibit negative effects. Processors benefit from positive associations with labour and transport, and marketers' profits are linked to labour, transportation, and storage. The findings stress the need for strategic interventions to enhance the millet value chain, emphasizing the importance of efficient logistics. The study recommends policy measures to increase farmers' productivity and profits through incentives, farmer support extension, and innovative technologies, promoting a balanced diet, weight maintenance, and overall well-being while addressing economic aspects of millet production and distribution.
Effect of Integrated Nutrient Management on Yield and Yield Attributes in Scented Rice (Oryza sativa L.)
Authors: Dhurve Rajeshwari , Pandey T. D. , Verma Nagendra Kumar , Bhagat Ravindra Kumar
Published: December 2023

The current study was conducted at Barrister Thakur Chhedilal College of Agriculture and Research Station, Bilaspur, India, during the autumn season of 2019-20. The research focused on integrated nutrient management in scented rice, incorporating both organic and inorganic nutrient sources along with the recommended dose of fertilizers (RDF) at 100:60:40 NPK kg ha-1. The experimental design employed a randomized block layout (RBD) with ten treatments and three replications, utilizing the Chhattisgarh Sugandhit Bhog variety of scented rice. The findings revealed noteworthy outcomes among the various organic and inorganic treatments. Notably, Treatment 6 (75% RDF + 5 tonnes of Vermicompost ha-1 enriched with consortia) exhibited the highest grain yield of 35.78 q ha-1, signifying significant superiority over other treatments. Treatment 5 (75% RDF + 5 tonnes of FYM ha-1 enriched with consortia) closely followed with a grain yield of 34.24 q ha-1, demonstrating comparable performance. Additionally, Treatments 4, 3, 2, and 10 showed promising results in terms of yield attributes. The superior performance of Treatment 6 in terms of higher yield and yield attributes, including the highest number of panicles per m2 (349.36), underscores its effectiveness and significance in the context of integrated nutrient management for scented rice cultivation.
An Investigation of Live Stream Shopping Via TikTok: The Role of Perceived Enjoyment in Impulsive Buying
Authors: Dwitya Bayu Hning Kartika , Hartono Arif
Published: December 2023

Live streaming can effectively attract consumers' attention because it can display products with dynamic images, and has good content creativity and interaction, good product display, high consumption involvement experience, and value congruence between consumers and live streamers, having a positive impact on increasing intent buy consumers.

Objective: This research aims to compile the impact of environmental factors on consumers' psychological situations when shopping live streaming. Then develop a model to understand impulse buying.

Study Design: This research uses a quantitative research approach.

Place and Duration of Study: This research was conducted in Indonesia with a duration of time from May to June 2023.

Methodology: This research uses quantitative methods with purposive sampling techniques. The criteria for selected respondents were Indonesian citizens aged 17-25 years who had made a purchase transaction on live streaming shopping at least once. The number of respondents used in this research reached 210 people. The data analysis method uses PLS-SEM and is processed using the SmartPLS application. This study has five variables: convenience, interactivity, playfulness, perceived enjoyment, and impulse buying.

Results: The results of this study indicate that the three factors of convenience, interactivity, and playfulness have a positive and significant influence on the perception of enjoyment. Apart from that, perceived enjoyment also has a positive influence on consumers' impulse purchases.
Efficacy and Safety of PF-07038124 in Patients With Atopic Dermatitis and Plaque Psoriasis
Authors: Eichenfield Lawrence F. , Tarabar Sanela , Forman Seth , García-Bello Alfonso , Feng Gang , Fetterly Gerald , Mahling Ping , Peeva Elena , Vincent Michael S. , Chandra Deepa E.
Published: December 2023

Importance

Atopic dermatitis (AD) and plaque psoriasis are inflammatory skin diseases with unmet need for effective topical treatments with few application site reactions.

Objective

To assess the efficacy and safety of the topical phosphodiesterase 4 inhibitor PF-07038124 in patients with AD and plaque psoriasis.

Design, Setting, and Participants

This phase 2a, randomized, double-blind clinical trial was conducted from December 21, 2020, to August 18, 2021, at 34 sites across 4 countries. Eligible patients (aged 18-70 years) had mild to moderate AD (covering 5%-20% body surface area) or plaque psoriasis (covering 5%-15% body surface area). Data were analyzed until December 15, 2021.

Interventions

Patients were randomized (1:1) to PF-07038124, 0.01%, topical ointment or vehicle once daily for 6 weeks.

Main Outcomes and Measures

The primary end point was the percent change from baseline (CFB) in the Eczema Area and Severity Index (EASI) total score among patients with AD and in the Psoriasis Area and Severity Index (PASI) score among patients with plaque psoriasis at week 6. Safety measures included treatment-emergent adverse events, including application site reactions.

Results

Overall, 104 patients were randomized (mean [SD] age, 43.0 [15.4] years; 55 [52.9%] women; 4 [3.8%] Asian, 13 [12.5%] Black, and 87 [83.7%] White), including 70 with AD (41 women [58.6%]; mean [SD] ages, 41.4 [16.6] years in the PF-07038124 group and 36.1 [13.9] years in the vehicle group) and 34 with plaque psoriasis (20 men [58.8%]; mean [SD] ages, 51.8 [12.3] years in the PF-07038124 group and 51.2 [10.8] years in the vehicle group). Baseline characteristics were generally balanced. At week 6, the PF-07038124 groups showed significantly greater improvements compared with vehicle groups in EASI (least-squares mean CFB, −74.9% vs −35.5%; difference, −39.4% [90% CI, −58.8% to −20.1%]; P < .001) and PASI scores (CFB, −4.8 vs 0.1; difference, −4.9 [90% CI, −7.0 to −2.8]; P < .001). The number of patients with treatment-emergent adverse events was comparable between treatment groups in patients with AD (PF-07038124, 9 [25.0%]; vehicle, 9 [26.5%]) and plaque psoriasis (PF-07038124, 3 [17.6%]; vehicle, 6 [35.3%]). There were no application site reactions with PF-07038124 treatment.

Conclusions and Relevance

Topical PF-07038124 was well tolerated and demonstrated superior efficacy compared with vehicle in patients with mild to moderate AD and plaque psoriasis.

Trial Registration

ClinicalTrials.gov Identifier: NCT04664153
Newborn Brain Function and Early Emerging Callous-Unemotional Traits
Authors: Brady Rebecca G. , Donohue Megan Rose , Waller Rebecca , Latham Aidan , Ayala Mia , Smyser Tara A. , Warner Barbara B. , Barch Deanna M. , Luby Joan L. , Rogers Cynthia E. , Smyser Christopher D.
Published: December 2023

Importance

Children with high callous-unemotional traits are more likely to develop severe and persistent conduct problems; however, the newborn neurobiology underlying early callous-unemotional traits remains unknown. Understanding the neural mechanisms that precede the development of callous-unemotional traits could help identify at-risk children and encourage development of novel treatments.

Objective

To determine whether newborn brain function is associated with early-emerging empathy, prosociality, and callous-unemotional traits.

Design, Setting, and Participants

In this prospective, longitudinal cohort study, pregnant women were recruited from obstetric clinics in St Louis, Missouri, from September 1, 2017, to February 28, 2020, with longitudinal data collected until March 20, 2023. Mothers were recruited during pregnancy. Newborns underwent brain magnetic resonance imaging shortly after birth. Mothers completed longitudinal follow-up when the children were aged 1, 2, and 3 years.

Exposures

The sample was enriched for exposure to socioeconomic disadvantage.

Main Outcome and Measure

Functional connectivity between hypothesized brain regions was assessed using newborn-specific networks and voxel-based connectivity analyses. Children’s callous-unemotional traits were measured using the Inventory of Callous-Unemotional Traits. Empathy and prosociality were assessed using the Infant and Toddler Socio-Emotional Assessment.

Results

A total of 283 children (mean [SD] gestational age, 38 [2] weeks; 159 male [56.2%]; 2 Asian [0.7%], 171 Black [60%], 7 Hispanic or Latino [2.5%], 106 White [38%], 4 other racial or ethnic group [1.4%]) were included in the analysis. Stronger newborn functional connectivity between the cingulo-opercular network (CO) and medial prefrontal cortex (mPFC) was associated with higher callous-unemotional traits at age 3 years (β = 0.31; 95% CI, 0.17-0.41; P < .001). Results persisted when accounting for parental callous-unemotional traits and child externalizing symptoms. Stronger newborn CO-mPFC connectivity was also associated with lower empathy and lower prosociality at ages 1, 2, and 3 years using multilevel models (β = −0.12; 95% CI, −0.21 to −0.04; P = .004 and β = −0.20; 95% CI, −0.30 to −0.10; P < .001, respectively).

Conclusions and Relevance

Newborn functional connectivity was associated with early-emerging empathy, prosociality, and callous-unemotional traits, even when accounting for parental callous-unemotional traits and child externalizing symptoms. Understanding the neurobiological underpinnings of empathy, prosociality, and callous-unemotional traits at the earliest developmental point may help early risk stratification and novel intervention development.
Blood Oxygen and Heart Rate Monitoring by A Flexible Hybrid Electronics Device Fabricated by Multilayer Screen‐Printing
Authors: Yoshida Ayako , Méhes Gábor , Okuyama Yoshihiro , Murakata Masaki , Shiba Takeo , Tokito Shizuo
Published: December 2023

Pulse oximetry is widely used in medical settings and in everyday life for the estimation of peripheral blood oxygen saturation (SpO2). However, SpO2 response measured on the peripheral parts of the body (such as fingers and wrists) has a time lag compared to measuring on the forehead. In addition, current devices are centimeter‐thick, making seamless integration with the body difficult, and hindering continuous monitoring. Here a design, fabrication, and evaluation of a SpO2 and heart rate sensor based on flexible hybrid electronics (FHE) is presented. The marriage of flexible electronics with high‐performance commercially available integrated circuit (IC) chips makes advanced sensing, data processing, and wireless data transmission functionalities possible on a thin (1.6 mm) and flexible form that can be attached to various parts of the body. Differently from most devices using FHE, here a cost‐efficient and mass‐production compatible multilayer screen‐printing process for making the interconnection circuitry is described in detail, including topographic analysis. By optimizing the printing steps, interconnecting lines vertically traversing up to five printed layers over several tens of micrometers can be fabricated, increasing the spatial density. The device reliably detects hypoxemia, and when applied on the forehead, changes in SpO2 appear >10 s earlier compared to a finger‐based medical‐grade device.
Comparing survival rates and mortality in operative versus nonoperative treatment for femoral neck fractures among Alzheimer's disease patients: A retrospective cohort study
Authors: Yang Yijiong , Drake Stacy A. , Wang Jing , Shen Gordon C. , Miao Hongyu , Morgan Robert O. , Du Xianglin L. , Lairson David R.
Published: December 2023

Introduction

Addressing femoral neck fractures resulting from ground‐level falls in older adults with Alzheimer's disease (AD) involves a personalized treatment plan. There is considerable ongoing debate concerning the relative advantages and disadvantages of surgical treatment (internal fixation or arthroplasty) vs nonoperative treatment for femoral neck fractures in older persons with AD.

Methods

This retrospective cohort study compared the mortality, hazard ratio, and survival rate between operative and nonoperative treatments, controlling for patients' demographic information and baseline health status. The study population consisted of Optum beneficiaries diagnosed with AD who experienced an initial femoral neck fracture claim between January 1, 2012, and December 31, 2017. Kaplan–Meier survival curves were applied to compare the treatment groups' post‐fracture survival rates and mortality. Cox regression was used to examine the survival period by controlling the covariates.

Results

Out of the 4157 patients with AD with femoral neck fractures, 59.8% were women (n = 2487). The median age was 81 years. The 1‐year survival rate for nonoperative treatment (70.19%) was lower than that for internal fixation (75.27%) and arthroplasty treatment (82.32%). Compared with the nonoperative group, arthroplasty surgical treatment had significant lower hazard risk of death (arthroplasty hazard ratio: 0.850, 95% CI: 0.728–0.991, P < 0.05).

Discussion

The findings suggest that the operative treatment group experiences higher survival rates and lower mortality rates than the nonoperative group. This paper provides insights into treatment outcomes of older adults with AD receiving medical care for femoral neck fractures.
Stoichiometry Effects on the Chemical Ordering and Superconducting Properties in TiZrTaNbNx Refractory High Entropy Nitrides
Authors: Shu Rui , Zhang Xiaofu , Tasnádi Ferenc , Olovsson Weine , Rao Smita G. , Greczynski Grzegorz , le Febvrier Arnaud , Magnuson Martin , Eklund Per
Published: December 2023

High‐entropy materials, an exciting new class of structural materials involving five or more elements, are emerging as unexplored ground for superconductors. Here, the effects of nitrogen stoichiometry are investigated on local chemical structure of TiZrNbTa‐based thin films by various X‐ray‐based techniques. Lattice distortion and short‐range order of a set of TiZrNbTaNx samples, including bond lengths of different atomic pairs and coordination numbers of substituting atoms are quantitatively studied. The maximum superconducting transition temperature Tc is found at 10 K for a near‐stoichiometric (TiZrNbTa)N1.08 film, which is >8 K measured for a metallic TiZrNbTa film. The underlying electronic structure and chemical bonding in these high entropy nitrides thus influence the superconducting macroscopic properties.
PVA@tea tree oil‐emulsion core–shell microfiber membranes for extending the shelf life of fruits
Authors: Dai Tianliang , Liu Ya , Wang Lina , Yao Juming , Zhu Guocheng , Guo Baochun , Militk Jiri , Kremenakova Dana , Zhang Ming
Published: December 2023

In this work, a temperature‐regulating and antimicrobial–antioxidant fiber membrane was fabricated using coaxial electrospinning technology. The tea tree oil (TTO) emulsion used as the core solution, polyvinyl alcohol (PVA) as the shell solution for coaxial electrospinning, has been demonstrated. Compared with the original PVA fibers, the average diameter of the fibers is increased after coaxial electrospinning, and the diameter increases with the core flow rate. The diameters corresponding to core flow rates of 0.05, 0.1, and 0.15 mL/h are 561, 597, and 849 nm, respectively. Via in vitro release experiment demonstrated that the quantity of TTO released from the composite membrane increased with the elevation of temperature. The inclusions TTO and polyethylene glycol give the film excellent antibacterial–antioxidant properties and a delayed thermal response. More intriguingly, core–shell fiber membranes containing TTO in the core part are effective in slowing down the formation of oxidation spots on the surface of banana compared with pure PVA membranes. Seven days after wrapping bananas with different membranes, the surface of banana in pure PVA film was full of oxidized spots, whereas banana in PVA core–shell fibers showed only one obvious spot.
Feasibility of Kelvin probe force microscopy to measure the surface potential decay of polystyrene film due to relative humidity
Authors: Jaber Albraa A. , Abu Obaid Ahmad , Advani Suresh G. , Gillespie John W.
Published: December 2023

The feasibility of measuring the surface potential decay of polystyrene (PS) film is investigated at room temperature by using Kelvin probe force microscopy (KPFM). The PS film was charged by an ion injection method utilizing Bruker's atomic force microscope (AFM) Nanoman module with a pulse duration of 1 ms, SCM‐PIT electrically conductive probe, and a voltage pulse of −250 mV. The surface potential decayed linearly on a semi‐log scale with time, where the time decay constant was quantified for relative humidity (RH) = 5% by KPFM at room temperature. The surface potential decayed due to the interaction of the PS film with the hydronium ions available in the environment. Furthermore, the effect of the material forms (film vs. microspheres) on the time decay constant at RH = 5% was investigated. The time decay constants measured using different methods exhibited excellent correlation with the AFM‐KPFM. This also confirmed that the results are independent of the material form (microspheres vs. film form). As a result, the proposed method can be used to measure the effect of RH for any PS surface (i.e., particles of various sizes and films) exposed to these environmental conditions.
Mycobacterium tuberculosis‐induced multiple tenosynovial masses with rice bodies: A case report
Authors: Moein Seyed Arman , Fereidooni Reza , Niakan Reza , Kousari Aliasghar
Published: December 2023

Key clinical message

Tenosynovitis with rice bodies is a rare presentation, diagnosable by MRI. Surgical excision is the preferred treatment for tendon sheath masses containing rice bodies. The etiology was Mycobacterium tuberculosis in our case, highlighting the need to consider extrapulmonary TB in atypical presentations, ensuring effective treatment.

Rice body tenosynovitis is a rare clinical phenomenon with various etiologies. Inflammatory diseases such as rheumatoid arthritis and tuberculosis have been shown to be associated with this condition. Herein we report a 46‐year‐old male who presented with multiple masses of the dorsal and volar aspects of the left wrist. The masses did not cause significant pain or limitation of motion. Magnetic resonance imaging showed the presence of numerous hypointense bodies in the masses. During the surgical procedure, separate cysts originating from the synovitis of both the extensor and flexor compartments were identified along with white rice bodies within them. Masses were excised and Xpert MTB/RIF assay on the rice bodies was conclusive of M. tuberculosis (TB). The patient was discharged on anti‐TB medications with no complication or recurrence after 1 year of follow‐up.
Aldehyde and Ketone Hydroboration Mediated by a Heterogeneous Single‐Site Molybdenum‐Dioxo Catalyst: Scope and Mechanistic Implications
Authors: Liu Yiqi , Agarwal Amol , Ye Liwei , Kratish Yosi , Marks Tobin J.
Published: December 2023

Efficient hydroboration of aldehydes and ketones is demonstrated using a single‐site MoO2 catalyst supported on activated carbon. Under mild conditions with low catalytic loadings, the reaction exhibits chemoselectivity towards carbonyl reduction over halides, alkene, alkyne, nitrile, and ester groups, affording high yields of desired products. Furthermore, competition studies between aldehyde and ketone reduction using HBpin and HBcat indicate that HBpin preferably functionalizes aldehydes, while HBcat can functionalize either substrate under specific conditions. Mechanistic studies suggest that the reaction proceeds via the initial formation of a molybdenum‐hydride species upon B−H activation and subsequent molybdenum‐alkoxide species upon carbonyl activation by the Mo center. The experimental activation energy of 14.3 kcal/mol alignssatisfactorily with the DFT computed ΔH≠ of 18.7 kcal/mol, further supporting the proposed mechanism. Combined experimental/computational analyses reveal that excess HBpin can possibly deactivate the catalyst. The presence of excess benzaldehyde efficiently mitigates deactivation by HBpin, providing significantly higher catalyst recyclability. Overall, this non‐toxic, air‐ and moisture‐stable, active, and selective catalyst demonstrates significant potential for green processes.
Nucleophilic Substitution at Phosphorus Centres – Old and Recent Studies and a Final Solution of Mechanistic and Related Stereochemical Problems
Authors: Mikołajczyk Marian
Published: December 2023

Among many problems of a fundamental value in the heteroatom chemistry the mechanism and stereochemistry of the nucleophilic substitution reaction at the phosphorus and other heteroatom centres have attracted great attention of phosphorus chemists already in the middle of the last century. This review, which does not have a comprehensive character, summarizes the selected original contributions aimed at solution of the mechanism of SN2−P reaction and its relationship with stereochemistry. The breakthrough in these studies was the Westheimer's concept and his rules which is presented at the beginning of this article. Next, a series of papers is presented where the stereochemistry of the substitution at phosphorus was investigated in cyclic five‐, four‐ and six‐membered ring phosphorus compound. The majority of these reactions have been found to occur with retention of the P‐configuration. In the third part of this account, the selected examples of substitution reactions at phosphorus in acyclic compounds are discussed. As the results of all the investigations discussed did not allow to undoubtedly ascribe the mechanism (SN2 or A−E) to the investigated reactions, in the last part the SN‐P reactions are presented, the mechanism of which has been established by combination of the stereochemical and DFT‐studies.
Short‐Process Regeneration of Highly Stable Spherical LiCoO2 Cathode Materials from Spent Lithium‐Ion Batteries through Carbonate Precipitation
Authors: He Jingjing , Cao Yuanpeng , Wang Xianshu , Zhao Chao , Huang Jiemeng , Long Wei , Zhou Zhongren , Dong Peng , Zhang Yingjie , Wang Ding , Duan Jianguo
Published: December 2023

High‐efficacy recycling of spent lithium cobalt oxide (LiCoO2) batteries is one of the key tasks in realizing a global resource security strategy due to the rareness of lithium (Li) and cobalt (Co) resources. However, it is of great significance to develop the innovative recycle methods for spent LiCoO2, simultaneously realizing the efficient recovery of valuable elements and the regeneration of high‐performance LiCoO2. Herein, a novel strategy of regenerating LiCoO2 cathode is proposed, which involves the preparation of micro‐spherical aluminum (Al)‐doped lithium‐lacked precursor (Li2xCo1−x−yAl2/3yCO3, remarked as “PLCAC”) via ammonium bicarbonate coprecipitation. The comprehensive conditions affecting particle growth kinetics, morphology and particle size the has been investigated in detail by physical characterizations and electrochemical measurements. And the optimized Al‐doped LiCoO2 materials with high‐density sphericity (LiCo1−zAlzO2, remarked as “LCAO”) shows a high initial specific capacity of 161 mAh g−1 at 0.1 C and excellent capacity retention of 99.5 % within 100 cycles at 1 C in the voltage range of 2.8 to 4.3 V. Our work provides valuable insights into the featured design of LiCoO2 precursors and cathode materials from spent LiCoO2 batteries, potentially guaranteeing the high‐efficacy recycling and utilization of strategic resources.
Double Four Ring Units‐Containing Zeolites: Synthesis, Structural Modification and Catalytic Applications
Authors: Peng Mingming , Zhao Yuhong , Xu Hao , Jiang Jingang , Wu Peng
Published: December 2023

In zeolite frameworks, double four‐ring (d4r) configurations are among the most frequent composite building units. The composition variations in d4r units greatly influence the energy and structural modifiability of the zeolitic framework. The introduction of germanium, with a larger ionic radius than silicon or aluminum, not only reduces the energy constraints of d4r in the nucleation and crystal growth of zeolites, but also opens a new window for constructing novel crystalline structures, especially with large or extra‐large pores and channels. Ge‐enriched d4r units endow germanosilicates with structure diversity readily for post treatments. Promising catalytic materials have been gradually developed and increasingly studied by direct synthesis or post‐synthetic isomorphous substitution for Ge. This review focuses on the recent progress in the synthesis, modification, and catalytic application of d4r‐containing zeolites, including germanosilicates, aluminosilicates, and silicates.
Cardio‐renal‐metabolic disease in primary care setting
Authors: Ibrahim Mahmoud , Ba‐Essa Ebtesam M. , Baker Jason , Cahn Avivit , Ceriello Antonio , Cosentino Francesco , Davies Melanie J. , Eckel Robert H. , Van Gaal Luc , Gaede Peter , Handelsman Yehuda , Klein Samuel , Leslie Richard David , Pozzilli Paolo , Del Prato Stefano , Prattichizzo Francesco , Schnell Oliver , Seferovic Petar M. , Standl Eberhard , Thomas Abraham , Tuomilehto Jaakko , Valensi Paul , Umpierrez Guillermo E.
Published: December 2023

In the primary care setting providers have more tools available than ever before to impact positively obesity, diabetes, and their complications, such as renal and cardiac diseases. It is important to recognise what is available for treatment taking into account diabetes heterogeneity. For those who develop type 2 diabetes (T2DM), effective treatments are available that for the first time have shown a benefit in reducing mortality and macrovascular complications, in addition to the well‐established benefits of glucose control in reducing microvascular complications. Some of the newer medications for treating hyperglycaemia have also a positive impact in reducing heart failure (HF). Technological advances have also contributed to improving the quality of care in patients with diabetes. The use of technology, such as continuous glucose monitoring systems (CGM), has improved significantly glucose and glycated haemoglobin A1c (HbA1c) values, while limiting the frequency of hypoglycaemia. Other technological support derives from the use of predictive algorithms that need to be refined to help predict those subjects who are at great risk of developing the disease and/or its complications, or who may require care by other specialists. In this review we also provide recommendations for the optimal use of the new medications; sodium‐glucose co‐transporter‐2 inhibitors (SGLT2i) and Glucagon‐like peptide‐receptor agonists 1 (GLP1RA) in the primary care setting considering the relevance of these drugs for the management of T2DM also in its early stage.
Mobilization in two‐step capillary isoelectric focusing: Concepts assessed by computer simulation
Authors: Thormann Wolfgang , Mosher Richard A.
Published: December 2023

The mobilization step in a two‐step capillary isoelectric focusing protocol is discussed by means of dynamic computer simulation data for systems without and with spacer compounds that establish their zones at the beginning and end of the focusing column. After focusing in an electroosmosis‐free environment (first step), mobilization (second step) can be induced electrophoretically, by the application of a hydrodynamic flow, or by a combination of both means. Dynamic simulations provide insight into the complexity of the various modes of electrophoretic mobilization and dispersion associated with hydrodynamic mobilization. The data are discussed together with the relevant literature.
Cytotoxicity of 19 pesticides in rainbow trout gill, liver, and intestinal cell lines
Authors: Emberley-Korkmaz Sophie , Mittal Krittika , Temlock Na'im , Head Jessica , Basu Niladri
Published: December 2023

The rainbow trout gill cell line (RTgill-W1), via test guideline 249 of the Organisation for Economic Co-operation and Development, has been established as a promising New Approach Methodology, although to advance confidence in the method more case studies are needed that: 1) expand our understanding of applicability domains (chemicals with diverse properties); 2) increase methodological throughput (96-well format); and 3) demonstrate biological relevance (in vitro to in vivo comparisons; gill vs. other cells). Accordingly, the objective of our study was to characterize the cytotoxicity of 19 pesticides against RTgill-W1 cells, and also liver (RTL-W1) and gut epithelial (RTgutGC) cell lines, and then to compare the in vitro and in vivo data. Of the 19 pesticides tested, 11, 9, and 8 were cytotoxic to the RTgill-W1, RTL-W1, and RTgutGC cells, respectively. Six pesticides (carbaryl, chlorothalonil, chlorpyrifos, dimethenamid-P, metolachlor, and S-metolachlor) were cytotoxic to all three cell lines. Aminomethylphosphonic acid, chlorantraniliprole, dicamba, diquat, imazethapyr, and permethrin exhibited cell-line–specific toxicity. No cytotoxic responses were observed for three herbicides (atrazine, glyphosate, and metribuzin) and four insecticides (clothianidin, diazinon, imidacloprid, and thiamethoxam). When cytotoxicity was measured, there was a strong correlation (rs = 0.9, p < 0.0001) between in vitro median effect concentration (EC50) values (based on predicted concentrations using the In Vitro Mass Balance Model Equilibrium Partitioning (IV-MBM EQP) Ver. 2.1) derived from RTgill-W1 and RTL-W1 cells with in vivo median lethal concentration (LC50) values from 96-h acute toxicity studies with trout. In all 28 cases, the in vitro EC50 was within 18-fold of the in vivo LC50. These data help increase our understanding of the ecotoxicological domains of applicability for in vitro studies using cultured rainbow trout cells, while also demonstrating that these assays performed well in a 96-well format and have promise to yield data of biological relevance.
Sustainable Power Generation Through Solar‐Driven Integration of Brayton and Transcritical CO2 Cycles: A Comprehensive 3E (Energy, Exergy, and Exergoenvironmental) Evaluation
Authors: Khan Yunis , Raman Roshan , Said Zafar , Caliskan Hakan , Hong Hiki
Published: December 2023

Solar power tower technology has strong potential among the other concentration solar power techniques for large power generation. Therefore, it is necessary to make a new and efficient power conversion system for utilizing the solar power tower system. In present research, a novel combined cycle is proposed to generate power for the application of the solar power tower. The pre‐compression configuration of the Brayton cycle is used as a topping cycle in which helium is taken as the working fluid. The transcritical CO2 cycle is used as bottoming cycle for using the waste heat. The proposed system is investigated based on exergy, energy, and exergoenvironmental point of view using computational technique engineering equation solver. Also, the parametric analysis is carried out to check the impact of the different variables on the system performance. It is concluded that the overall plant's optimized thermal and exergy efficiencies are obtained as 31.59% and 33.12%, respectively, at 800 °C optimum temperature of combined cycle and 850 W m−2 of direct normal irradiation and 2.278 of compressor pressure ratio. However, exergetic stability factor and exergoenvironmental impact index are observed as 0.5952 and 0.6801 respectively. The present proposed system performs better than the previous studies with fewer components.
Automated radiosynthesis of [18F]CETO, a PET radiotracer for imaging adrenal glands, on Synthra RNplus
Authors: Hird Matthew , Russell Joseph J. , Corrigan Lei Li , Boros Istvan , Nordeman Patrik , Antoni Gunnar , Gurnell Mark , Aigbirhio Franklin I.
Published: December 2023

Primary aldosteronism (PA) is the leading secondary cause of hypertension. Determining whether one (unilateral) or both (bilateral) adrenal glands are the source of PA in a patient remains challenging, and yet it is a critical step in the decision whether to recommend potentially curative surgery (adrenalectomy) or lifelong medical therapy (typically requiring multiple drugs). Recently, we have developed a fluorine‐18 radiopharmaceutical [18F]CETO to permit greater access to PA molecular imaging. Herein, we report an automated synthesis of this radiotracer. To manufacture the radiopharmaceutical routinely for clinical PET studies, we implemented an automated radiosynthesis method on a Synthra RNplus© synthesiser for which Cl‐tosyletomidate was used as the precursor for radiolabelling via nucleophilic [18F]fluorination. [18F]CETO was produced with 35 ± 1% (n = 7), decay corrected and 25 ± 4% (n = 7) non‐decay corrected radiochemical yield with molar activities ranging from 150 to 400 GBq/μmol. The GMP compliant manufacturing process produces a sterile formulated [18F]CETO injectable solution for human use as demonstrated by the results of quality control. Automation of the radiosynthesis of [18F]CETO should facilitate uptake by other adrenal centres and increase access to molecular imaging in PA.
Using carboxyl groups to improve the compatibility of XNBR/lignin composites
Authors: Campos Gustavo Ninho , da Rocha Elisson Brum Dutra , Furtado Cristina Russi Guimarães , de Figueiredo Marco Antonio Gaya , de Sousa Ana Maria Furtado
Published: December 2023

The paper and pulp industry produces lignin as a byproduct, which could be a bio‐based reinforcing filler for rubber. Carboxylated nitrile rubber (XNBR) contains carboxyl groups that form ionic bonds with zinc oxide, potentially increasing compatibility with lignin, compared to usual nonpolar rubbers. This study employed the traditional mixing method, two‐roll mill, to incorporate hardwood Kraft lignin without chemical or physical modification as a reinforcing filler in commercial XNBR. A mixture design of experiments was used to explore the effect on rubber/lignin interaction of the carboxyl group content (from 1% to 7% in blends of XNBR) and the amount of lignin (from 0 to 40 phr). Adding 40 phr of lignin increased stress at 100% in XNBR 7% from 1.7 to 6.3 MPa. In XNBR 1%, the increase was from 1.2 to 1.9 MPa. Lignin showed better interaction and dispersion with XNBR 7%, determined from response surface of G′ at high deformations and SEM, respectively. Loss of thermal transition in DMA indicates interaction through ionic groups. These results show that the presence of carboxyl groups enhances the rubber/lignin interaction. This research open possibilities of compatibilization of lignin, offering guidance for future studies and technologies involving lignin in technical applications.

Highlights

Lignin dispersion increased as the carboxyl group content increased to 7% (w/w).

Stress at 100% elongation increased 370% with 40 phr of lignin and 7% carboxyl.

Rubber/lignin interaction as per G′ increased with carboxyl groups.

Loss of thermal transition suggests lignin/carboxy/zinc oxide interaction.

Lignin can be used as a reinforcing filler in nitrile carboxylated rubber.
Enhancing shear and flexural strength of single lap composite joints with a graphene nanoparticle‐reinforced adhesive through a co‐curing technique
Authors: Venugopal Anandhan , Sudhagar P Edwin
Published: December 2023

Adhesive‐bonded joints in glass fiber‐reinforced polymer (GFRP) composite structures give numerous benefits, such as greater flexibility, good specific strength, improved fatigue resistance, and the ability to reduce stress concentration. Consequently, adhesive‐bonded joints are considered more influential if compared to fasteners. This research investigates the effects of incorporating graphene nanoparticles (GNPs) into the adhesive layer on several aspects of adhesively bonded co‐cure (CC) single‐lap GFRP composite joints. These aspects include shear strength, flexural strength, failure mechanisms, and fractography studies. The study examined six distinct weight percentages of GNP, specifically 0.25, 0.50, 0.75, 1.0, 1.25, and 1.5 wt.%, which are considered to enhance the interfacial strength of adhesive joints. Based on the research, 0.75 wt.% of GNP single‐lap joint (SLJ) shear strength improved by 69.40% when compared to the plain matrix SLJ. This suggests excellent load transmission between adherends. In addition, the flexural strength increased by 46.57% in the specimens containing 1.25 wt.% GNP when compared to the plain matrix used to bond in SLJ. After testing, fractured specimen microscopic images were used to examine failure mechanisms. According to fractography studies, adding GNPs to the adhesive causes surfaces to become rougher, which improves the adhesion between the adhesive and the adherends.

Highlights

Six distinct wt.% of GNPs were used to prepare the matrix by sonication.

Single‐lap GFRP composite joints were fabricated through a CC technique.

SLJ's maximum shear strength was found at 0.75 wt% of GNP.

SLJ's maximum flexural strength was found at 1.25 wt% of GNP.

Failure analysis was conducted using microscopes and FESEM images.
A new statistical downscaling approach for short‐term forecasting of summer air temperatures through a fusion of deep learning and spatial interpolation
Authors: Cho Dongjin , Im Jungho , Jung Sihun
Published: December 2023

Reliable early forecasting of extreme summer air temperatures is essential for effectively managing and mitigating the socioeconomic damage caused by thermal disasters. Numerical weather prediction models have become valuable tools for forecasting air temperature; however, they incur high computational costs, resulting in coarse spatial resolution and systematic bias owing to imperfect parametrization. To address these problems, we developed a novel statistical downscaling and bias correction method (named DeU‐Net) for the maximum and minimum air temperature (Tmax and Tmin respectively) forecasts obtained from the Global Data Assimilation and Prediction System with a spatial resolution of 10 to 1.5 km over South Korea through the fusion of deep learning (i.e., U‐Net) and spatial interpolation. In this study, we used a methodology to decompose statistically downscaled Tmax and Tmin forecasts into temporal dynamics over South Korea and spatial fluctuations by pixels. When comparing the proposed DeU‐Net with the dynamical downscaling model (i.e., Local Data Assimilation and Prediction System) and support vector regression‐based statistical downscaling model at the seen and unseen stations for forecasting the next‐day Tmax and Tmin, DeU‐Net showed the highest spatial correlation and the lowest root‐mean‐square error in all cases. In a qualitative evaluation, DeU‐Net successfully produced a detailed spatial distribution most similar to the observations. A further comparison extending the forecast lead time to 7 days indicated that the proposed DeU‐Net is a better downscaling approach than support vector regression, regardless of the forecast lead time. These results demonstrate that bias‐corrected high spatial resolution air temperature forecasts with relatively long forecast lead times in summer can be effectively produced using the proposed model for operational forecasting.