bluuebunny/crossref_metadata_2025 huggingface dataset:
Opioids and Dementia in the Danish Population
Authors: Pourhadi Nelsan , Janbek Janet , Gasse Christiane , Laursen Thomas Munk , Waldemar Gunhild , Jensen-Dahm Christina
Published: November 2024

Importance

Opioids have been studied as a potential risk factor for dementia, but evidence concerning long-term noncancer opioid use and exclusive use of weak opioids and associated dementia risk is sparse.

Objective

To assess the association between cumulative noncancer use of opioids and risk of age-related all-cause dementia.

Design, Setting, and Participants

This nested case-control study within a population-based cohort included 1 872 854 individuals without previous dementia, cancer, opioid addiction, or opioid use in terminal illness. Data were obtained from national Danish registers. Each individual who developed dementia during follow-up was incidence-density matched to 5 dementia-free controls. Statistical analysis was performed from August 2023 to March 2024.

Exposure

Cumulative opioid exposure was based on filled prescriptions available from 1995 through 2020.

Main Outcomes and Measures

Conditional logistic regression provided adjusted incidence rate ratios (IRRs) for associations between opioids and dementia.

Results

Among 1 872 854 individuals without previous dementia, cancer, opioid addiction, or opioid use in terminal illness included in the study, 93 638 (5.0%) developed all-cause dementia during follow-up (51 469 [55.0%] female; median [IQR] age, 78.1 [73.0-82.8] years) and were matched to 468 190 control individuals (257 345 [55.0%] female; median [IQR] age, 78.0 [73.0-82.8] years). Opioid use up to 90 total standardized doses (TSDs) was not consistently associated with dementia risk. Opioid exposure above 90 TSDs yielded increased IRRs of dementia occurring before age 90 years ranging from 1.29 (95% CI, 1.17-1.42) for 91 to 200 TSDs to 1.59 (95% CI, 1.44-1.76) for greater than 500 TSDs for age-band 60 to 69 years at dementia diagnosis. Corresponding IRRs were 1.16 (95% CI, 1.11-1.22) to 1.49 (95% CI, 1.42-1.57) for age-band 70 to 79 years and 1.08 (95% CI, 1.03-1.14) to 1.21 (95% CI, 1.16-1.27) for 80 to 89 years. Sensitivity analyses corroborated associations in individuals with chronic noncancer pain and with use of weak opioids.

Conclusions and Relevance

This study found that opioid use of less than 90 TSDs was not significantly associated with increased dementia risk. Above 90 TSDs of opioid use was associated with an elevated dementia risk before age 90 years, which persisted in individuals with chronic noncancer pain and in individuals solely exposed to weak opioids. Further research should ascertain whether the findings denote causality between opioids and dementia risk.
Platelet‐activating factor: a potential therapeutic target to improve cancer immunotherapy
Authors: Yan Qi , Mohammadpour Hemn
Published: November 2024

The tumor microenvironment (TME) fosters cancer progression by supporting the differentiation and proliferation of myeloid‐derived suppressor cells (MDSCs), which play a critical role in suppressing immune responses and facilitating tumor growth. Recent findings by Dahal et al. reveal that platelet‐activating factor (PAF), a lipid mediator elevated in the TME, contributes to the differentiation of neutrophils into immunosuppressive neutrophils. They showed that inhibiting PAF signaling reduces MDSC‐mediated immunosuppression, thereby enhancing cytotoxic T‐cell activity. This approach may improve cancer immunotherapy outcomes, particularly when combined with checkpoint blockade therapies, suggesting a promising avenue for therapeutic development.
Studies of SiC‐Filled Al6061 Metal Matrix Composite Optical, Mechanical, Tribological, and Corrosion Behavior with Strengthening Mechanisms
Authors: Mantha Subrahmanya Ranga Viswanath , Veeresh Kumar Gonal Basavaraja , Pramod Ramakrishna , Rao Chilakalapalli Surya Prakasha
Published: November 2024

The objective of the current study is to produce metal matrix composites (MMCs) using ultrasonic‐assisted stir casting and Al6061 alloy reinforced with silicon carbide (SiC) microparticle reinforcement in weight percentages of 0, 2, 4, and 6. The microstructural alterations of Al6061–SiC composites are investigated using a scanning electron microscope (SEM) equipped with an energy‐dispersive X‐ray (EDAX). By adding more nucleation sites for the formation of smaller grains, SiC reinforcement of the Al6061 matrix encourages grain refining. The SiC addition significantly changes the microstructure of Al6061 composites, enhancing their mechanical qualities. In addition to increasing density by 0.6%, hardness by 33%, and tensile strength by 33%. The increased SiC content dramatically decreases elongation by 42%. The strength of Al6061–SiC MMCs is predicted using several strengthening mechanism concepts as part of the continuing investigation. For Al6061–SiC composites, the strengthening contribution from thermal mismatch is more significant than that from Orowan strengthening, Hall–Petch mechanism, and load transmitting effect. Grain refinement interactions, load transmission mechanisms, and the strengthening effects of CTE differences and dislocations between matrix and reinforcement particles are studied. The composite with 6‐weight percent SiC reinforcement performs better in dry sliding wear and corrosion resistance.
Efficient Blade‐Coated Wide‐Bandgap and Tandem Perovskite Solar Cells via a Three‐Step Restraining Strategy
Authors: Fang Hongyi , Shen Weicheng , Guan Hongling , Chen Guoyi , Li Guang , Ai Wei , Fu Shiqiang , Xu Zuxiong , Chen Weiqing , Jia Peng , Yu Zixi , Wang Shuxin , Yu Zhiqiu , Lin Qingxian , Wang Jiahao , Zheng Wenwen , Pu Dexin , Fang Guojia , Ke Weijun
Published: November 2024

Blade‐coating techniques have attracted significant attention for perovskite solar cells (PSCs) due to their high precursor utilization and simplicity. However, the power conversion efficiency (PCE) of blade‐coated PSCs often lags behind that of spin‐coated devices, mainly due to difficulties in precisely controlling perovskite film formation during pre‐nucleation, heterogeneous nucleation, and crystallization in the blade‐coating and N2‐knife drying processes. In this work, a three‐step restraining strategy is introduced utilizing functional glycine amide hydrochloride to regulate pre‐nucleation clustering, suppress excessive heterogeneous nucleation, and decelerate crystallization, enabling comprehensive control of the perovskite film formation processes. This approach results in enlarged grains, reduced defect densities, and highly oriented crystalline wide‐bandgap perovskite films with significantly prolonged carrier lifetimes, achieving a maximum PCE of 19.97% for 1.77 eV‐bandgap blade‐coated PSCs. Furthermore, two‐terminal tandem cells, composed of wide‐bandgap perovskite top cells and 1.25 eV‐bandgap perovskite bottom cells fabricated via blade coating, yield an impressive PCE of 27.11% (stabilized at 26.87%). This study offers comprehensive insights into controlling pre‐nucleation, heterogeneous nucleation, and crystallization during blade coating, providing valuable guidance for developing high‐performance, large‐area devices in the future.
Flexible Single‐Layer Fabric‐Based Co‐Laminar Flow Photosynthetic Microbial Fuel Cell
Authors: Hong Do Yeon , Cha Yeon Woo , Ahn Yoomin
Published: November 2024

In this study, textile‐based microbial photoelectrochemical solar cells are developed for flexible electronic device applications. Configuration of the self‐pumping microfluidic channel without a proton exchange membrane is adopted to miniaturize the biophotovoltaic device. The microchannel region of the miniature device is patterned by silk screen printing using a body‐friendly Ecoflex to maintain the flexibility of the fabric substrate. Gold nanoparticle biosynthesized Synechocystis sp. PCC 6803 biocatalyst, supercapacitive ternary nanocomposite anode, and solid‐state Ag2O oxidant are used to enhance the biosolar cell performance. A maximum current density of 135.1 µA cm−2 and peak power density of 14.1 µW cm−2, which are higher than previous textile‐based microbial fuel cells, are achieved in the presence of light. The monolayer fabric‐based biosolar cell has a stable performance up to 100 and 20 cycles of stretching and twisting, respectively. The presented new platform of flexible microbial solar cells offers the development possibility of self‐sustaining wearable electronics.
PVA/CNT/PPy Aerogels for Driving Water Evaporation Through both Photo‐Thermal and Electro‐Thermal Effects
Authors: Wang Min , Cheng Minhan , Chen Chuanliang , Fu Qiang , Deng Hua
Published: November 2024

Solar‐driven interfacial water evaporation technology is considered as a promising clean water production strategy addressing the issues of global water pollution and scarcity. In this study, highly efficient polyvinyl alcohol/carbon nanotube/polypyrrole (PVA/CNT/PPy) aerogel evaporator is fabricated by combining hydrophilic PVA aerogel with superior water absorption property and carbon‐based fillers with coupled photo‐thermal conversion effects. By regulating the pore structure of PVA aerogel, the capillary effect is enhanced, thereby optimizing the water transport rate. Based on the photo‐thermal effect, the evaporation rate of the evaporator under one standard solar irradiation (1 kW m−2) is 3.17 kg m−2 h−1. Additionally, after the input of electrical energy, the heat converted from light absorbed by carbon‐based material can promote the Joule heating effect, and the synergistic effect further increases the evaporation rate of the aerogel to 5.59 kg m−2 h−1 when subjected to one solar irradiation combined with a 5 V input voltage. This electro‐thermal assistance enables efficient water evaporation even in low‐light and dark conditions. Furthermore, the PVA/CNT/PPy aerogel evaporator demonstrates significant potential in terms of desalination performance and long‐term stability.
Machine‐Learned Modeling for Accelerating Organic Solvent Design in Metal‐Ion Batteries
Authors: Sukmas Wiwittawin , Qin Jiaqian , Chanajaree Rungroj
Published: November 2024

Organic solvents offer a promising avenue for enhancing metal‐ion battery performance, for instance, in suppressing dendritic formation. To expedite the discovery of optimal electrolyte formulations, this study integrates density functional theory calculations with machine learning to accurately predict binding energies between metal ions and organic solvents. Leveraging a vast dataset of over 300 organic molecules, an extra trees regressor model is developed and demonstrated to exhibit exceptional predictive capabilities. The model's performance is underscored by its high values on both validation and test sets. Key descriptors contributing to the model's accuracy include the number of valence electrons in the metal ion, the atomic number of the metal ion, and features associated with the van der Waals surface. By applying the trained model to a dataset of up to 20 000 unseen organic molecules, potential high‐performance electrolyte additives are identified. Notably, and emerge as promising candidates for Zn‐ion and Mg‐ion batteries, respectively, outperforming conventional additives. To gain deeper insights into the microscopic behaviour of these identified molecules, molecular dynamics simulations are conducted. This research establishes a robust in silico framework for accelerating the design of advanced metal‐ion batteries through the rational selection of organic solvents.
Ginkgetin Alleviates Inflammation and Senescence by Targeting STING
Authors: Liu Yadan , Ye Jialin , Fan Zisheng , Wu Xiaolong , Zhang Yinghui , Yang Ruirui , Jiang Bing , Wang Yajie , Wu Min , Zhou Jingyi , Meng Jingyi , Ge Zhiming , Zhou Guizhen , Zhu Yuan , Xiao Yichuan , Zheng Mingyue , Zhang Sulin
Published: November 2024

Ginkgo biloba extract is reported to have therapeutic effects on aging‐related disorders. However, the specific component responsible for this biological function and its mechanism of action remain largely unknown. This study finds that Ginkgetin, an active ingredient of Ginkgo biloba extract, can alleviate cellular senescence and improve pathologies in multiple tissues of aging mice. To reveal the molecular mechanism of Ginkgetin's anti‐aging effect, a graph convolutional network‐based drug “on‐target” pathway prediction algorithm for prediction is employed. The results indicate that the cGAS‐STING pathway may be a potential target for Ginkgetin. Subsequent cell biological and biophysical data confirmed that Ginkgetin directly binds to the carboxy‐terminal domain of STING protein, thereby inhibiting STING activation and signal transduction. Furthermore, in vivo pharmacodynamic data showed that Ginkgetin effectively alleviates systemic inflammation in Trex1−/− mice and inhibits the abnormally activated STING signaling in aging mouse model. In summary, this study, utilizing an artificial intelligence algorithm combined with pharmacological methods, confirms STING serves as a critical target for Ginkgetin in alleviating inflammation and senescence. Importantly, this study elucidates the specific component and molecular mechanism underlying the anti‐aging effect of Ginkgo biloba extract, providing a robust theoretical basis for its therapeutic use.
High‐Entropy PdRhFeCoMo Metallene With High C1 Selectivity and Anti‐Poisoning Ability for Ethanol Electrooxidation
Authors: Tan Xiaohong , Wang Chenhui , Wang Jiarui , Wang Peng , Xiao Yuhang , Guo Yingying , Chen Jianpo , He Weidong , Li Yan , Cui Hao , Wang Chengxin
Published: November 2024

The urgent demand for designing highly efficient electrocatalysts for ethanol oxidation reaction (EOR) with elevated C1 selectivity, robust anti‐poisoning capability, and high mass activity presents a formidable challenge. Herein, a novel two‐dimentional (2D) high‐entropy PdRhFeCoMo metallene (PdRhFeCoMo HEM) electrocatalyst is successfully synthesized via a mild one‐step solvothermal method. The PdRhFeCoMo HEM, characterized by intentionally designed multi‐metallic ensembles and ultra‐thin graphene‐like structures, delivers an impressive mass activity of 7.47 A mgPd+Rh−1 and specific activity of 25.5 mA cm−2. Furthermore, it can retain a mass activity of 0.56 A mgPd+Rh−1 after undergoing 20000 s of continuous testing, demonstrating outstanding resistance to poisoning. More significantly, the PdRhFeCoMo HEM demonstrates an elevated capacity for C─C bond cleavage with a superior C1 selectivity of up to 84.12%. In situ spectroscopy analysis, combined with theoretical calculations, reveals that the deliberate design of components and structures effectively regulate the electronic properties of the Pd site, thereby enhancing the adsorption of reactant and reducing the reaction barrier of the C1 pathway. Finally, a flexible solid‐state ethanol fuel cell assembled by PdRhFeCoMo HEM presents a maximum power density of 20.1 mW cm−2 and can operate continuously by repeatedly adding ethanol fuel.
Synthesis of Homochiral N‐Heterocyclic Carbene‐Based Nanosheets for Enhanced Asymmetric Catalysis
Authors: Wang Xinchao , Wang Zhiwen , Wang Zhaoxing , Liu Tian‐Fu , Li Shangda , Wang Fei , Zhang Jian
Published: November 2024

Utilizing ultrathin 2D metal–organic framework nanosheets (2D MONs) as supports for incorporating chiral catalysts represents a highly promising avenue in the field of asymmetric catalysis. In this study, four pairs of isostructural chiral metal–organic layers (MOLs) adorned with N‐Heterocyclic carbene (NHC) groups are successfully synthesized. Notably, the obtained bulky (S)‐1‐Zn crystals can be readily delaminated into ultrathin MONs consisting of 1–2 layers through an ion intercalation‐assisted exfoliation process. Subsequent asymmetric catalysis studies revealed that the NHC sites can be effectively activated by a proton sponge while maintaining structural integrity for the subsequent benzoin condensation. Due to their well‐exposed catalytic sites, ultrathin morphology, and porous structure, the (S)‐1‐Zn nanosheets exhibited significantly enhanced yield and enantioselectivity compared to their bulk counterparts and organic precursors. This research highlights an efficient strategy for incorporating chiral NHC species onto 2D MONs, thereby unlocking their immense potential for heterogeneous asymmetric catalysis.
Recent Advances in Smart Sensing Based on Excited‐State Intramolecular Proton‐Transfer (ESIPT)‐Inspired Emitters
Authors: Li Jing , Xu Bao‐Sen , Xinglong‐Zhang  , Zhao Le‐Le , Yi Shao‐Zhe , Li Bao‐Ning
Published: November 2024

The optical materials based on excited state intramolecular proton transfer (ESIPT) have garnered significant attention due to their unique photophysical properties and applications in sensors and imaging agents (probes). These materials exhibit an intrinsic four‐level photocycle scheme through the enol (E)‐keto (K) phototautomerization process, resulting in a large Stokes shift, environmental sensitivity, and potential for ratiometric sensing. This review primarily focuses on elucidating the luminescence mechanism and structure‐property relationships of recent ESIPT molecules, as well as exploring the sensing applications of phosphorescent functional materials.
The pathogenicity of PSEN2 variants is tied to Aβ production and homology to PSEN1
Authors: Liu Lei , Schultz Stephanie A. , Saba Adriana , Yang Hyun‐Sik , Li Amy , Selkoe Dennis J. , Chhatwal Jasmeer P.
Published: November 2024

INTRODUCTION

Though recognized as a potential cause of autosomal dominant Alzheimer's disease, the pathogenicity of many PSEN2 variants remains uncertain. We compared amyloid beta (Aβ) production across all missense PSEN2 variants in the AlzForum database and, when possible, to corresponding PSEN1 variants.

METHODS

We expressed 74 PSEN2 variants, 21 of which had known, homologous PSEN1 pathogenic variants with the same amino acid substitution, in HEK293 cells lacking presenilin 1/2. Aβ production was compared to age at symptom onset (AAO) and between PSEN1/2 homologs.

RESULTS

Aβ42/40 and Aβ37/42 ratios correlated with AAO across all PSEN2 variants, strongly driven by the subset of PSEN2 variants with PSEN1 homologs. Aβ production across PSEN1/2 homologs was highly correlated. PSEN2 AAO correlated with AAO in PSEN1 homologs but was an average of 18.3 years later.

DISCUSSION

The existence of a PSEN1 homolog and patterns of Aβ production are important considerations in assessing the pathogenicity of previously reported and new PSEN2 variants.

Highlights

There were associations between the patterns of amyloid beta (Aβ) production across presenilin 2 (PSEN2) variants and age at symptom onset (AAO).

PSEN2 variants for which there is a known, corresponding variant in presenilin 1 (PSEN1) are more likely to have abnormal Aβ production patterns that strongly correlate with AAO, compared to those that lack a known PSEN1 counterpart (“non‐homologous PSEN2 variants”).

Most PSEN2 variants lacking PSEN1 counterparts had Aβ42/40 ratios close to those of wild‐type PSN2, arguing against their pathogenicity.

Homologous PSEN1 and PSEN2 variants had correlated Aβ42/40 and Aβ37/42 ratios, indicating that the corresponding amino acid substitution in each presenilin may have largely similar biochemical effects on γ‐secretase processivity.
The impact of neck flexion on ventilation and glottic visualisation in a child with Treacher Collins syndrome
Authors: Mazandi V. , Grosinger L. , Ward C. , Daly Guris R.
Published: November 2024

We report the airway management of an 11‐year‐old boy with Treacher Collins syndrome. In three instances under general anaesthesia, ventilation via either anaesthesia facemask or supraglottic airway device proved virtually impossible except when the neck was flexed, which runs counter to what is typically observed during routine anaesthetic care. In this report, the impact of neck flexion on the patient's airway is demonstrated with images obtained on videolaryngoscopy and flexible endoscopy. It is prudent to manage airways using validated techniques and established algorithms. Nonetheless, airway management can benefit from atypical measures.
High spinal anaesthesia during local anaesthetic skin infiltration at the cervical facet joint
Authors: Goh J. C. H. , Gn Y. M. , Tan D. J. A. , Lim Z. W.
Published: November 2024

Facet joint injections are generally safe to perform with a low incidence of adverse events. There are few published reports of neurological complications occurring following procedures at the facet joint or cervical epidural space. However, complications from local anaesthetic infiltration to the skin and surrounding tissue have not been reported. We report a case of transient tetraplegia after local anaesthetic infiltration to the skin in preparation for cervical facet joint injection. We discuss potential reasons for this complication and suggest practice modifications which could reduce the risk.
Structure Regulation and Energy Storage Mechanisms of Bismuth‐Based Anodes for Sodium Ion Batteries
Authors: Zhao Lina , Wen Yuhao , Bi Shangyi , Li Junyi , Zhang Hongjian , Liu Li , Shi Fanian , Yan Jie , Pan Shanshan , Zhang Haitao
Published: November 2024

The increasing demand for eco‐friendly energy storage solutions has driven significant interest in sodium‐ion batteries (SIBs) as an alternative to lithium‐ion batteries, primarily due to sodium's abundant availability. Among various anode materials, bismuth (Bi) has emerged as a promising candidate due to its high theoretical volumetric capacity and excellent electrical conductivity. This review presents a comprehensive analysis of structural characteristics and failure mechanisms inherent to Bi‐based anode materials for SIBs, providing valuable insights into the significance of material modification methods. Structure regulation strategies for Bi‐based SIB anodes are reviewed, focusing on the challenges associated with volumetric expansion and strategies to enhance their electrochemical performance. Typically, nanostructure optimization, surface engineering, morphology modification, and composition regulation are highlighted. Furthermore, this review will discuss the underlying mechanisms that improve sodium storage capabilities and the role of bismuth in advancing the efficiency and stability of SIBs. Lastly, the prospects and imminent challenges associated with bismuth‐based materials will be presented, providing insights for future research and development in energy storage technologies.
Comparative assessment of three AI platforms in answering USMLE Step 1 anatomy questions or identifying anatomical structures on radiographs
Authors: Al‐Khater Khulood Mohammed Khalid
Published: November 2024

The application of artificial intelligence (AI) in education has gained great attention recently. Integration of AI tools in anatomy teaching is currently engaging researchers and academics worldwide. Several AI chatbots have been generated, the most popular being ChatGPT (OpenAI: San Francisco, California, USA). Since its first public release in November 2022, several research papers have pointed to its potential role in anatomy education. However, it is not yet known whether it will prove superior to other available AI tools in this role. This article sheds some light on the current status of research concerning AI applications in anatomy education and compares the performances of three well‐known chatbots (ChatGPT, Gemini, and Claude) in answering anatomy questions. A total of 23 questions were used as prompts for each chatbot. These questions comprised 10 knowledge‐based, 10 analysis‐based USMLE Step 1‐type, and three radiographs. ChatGPT was the most accurate of the three, scoring 100% accuracy. However, in terms of comprehensiveness, Claude was the best; it gave very organized anatomical responses. Gemini performed less well than the other two, with a scored accuracy of 60% and less scientific explanations. On the basis of these findings, this study recommends the incorporation of Claude and ChatGPT in anatomy education, but not Gemini, at least in its current state.
Atriplex halimus: Phytochemical Insights, Traditional Applications, and Pharmacological Promises
Authors: Roubi Mohammed , Dalli Mohammed , Azizi Salah‐eddine , Gseyra Nadia
Published: November 2024

Medicinal and aromatic plants are used in traditional medicine due to their diverse bioactive chemicals, Atriplex halimus is a saltbush that has an extensive background in traditional medicine giving it a strong argument for further ethnopharmacological research. We aimed in this comprehensive review by using different databases as to illustrate the phytochemical composition, the traditional uses, and the pharmacological properties of A. halimus. We evaluated the phytochemical composition, the traditional uses, and the pharmacological properties of A. halimus using specific words in the different databases such as Scopus, PubMed, and ScienceDirect who served as the foundation to our research, 68 articles were retrieved from those databases out of an initial pool of 180 articles. Our review study revealed the different traditional uses as well as the different families of compounds in A. halimus extracts, including phenolic acids, flavonoids, and alkaloids. These compounds exhibited various pharmacological effects, notably antioxidant, antibacterial, antidiabetic, scolicidal, and cytotoxic properties. The analysis of the gathered publications allowed us to categorize the phytochemicals, traditional applications, and pharmacological actions of A. halimus extracts. This review underscores the importance of A. halimus and highlights the presence of additional bioactive substances that remain unexplored but hold potential for future research. This review can serve as a guide for future investigations in this area.
Pulsus Alternans: Caught in Action
Authors: Aslanger Emre , Aggül Burcu , Albayrak Duygu Genç
Published: November 2024

Pulsus alternans describes an arterial pulse waveform that shows alternating strong and weak beats despite a regular rhythm. Either discovered during physical examination or catheterization, pulsus alternans indicates severe left ventricular (LV) dysfunction and poor prognosis. There has been considerable debate about the underlying mechanism. We present a tracing which depicts a classic example of pulsus alternans and gives some clues about its initiation mechanism.
Influence of refreshment varying flour and water on sourdough viscoelasticity and textural properties of bread
Authors: Espinoza‐Acosta José L. , Navarro‐Eúan Melina J. , Buitimea‐Cantúa Nydia E. , Chan‐Higuera Jesús E. , Bernal‐Mercado Ariadna T. , Dórame‐Miranda Ramón F. , Gerardo‐Rodríguez Jesús E.
Published: November 2024

Background and Objective

Sourdough involves spontaneous fermentation by wild yeast and lactic acid bacteria. This study investigates the effects of varying water and flour proportions on sourdough and formulated dough viscoelasticity and bread textural properties after a 7‐day refreshment period. Daily, 20% or 30% water and 30% or 40% flour were added using refined or 20% fiber‐enriched flour. The pH and titratable acidity of the sourdough were measured, while dynamic frequency sweep tests were conducted to assess the viscoelastic properties of both sourdough and formulated dough. Additionally, the textural parameters of bread were evaluated.

Findings

The pH of the sourdough was lower when refined flour was used, but total titratable acidity analyses indicated higher acidity with 20% fiber‐enriched flour, demonstrating greater efficacy in this study. In the sourdough, G″ exceeded G′, indicating a more pronounced viscous behavior. Conversely, in the formulated dough, G′ was higher, suggesting greater elasticity. The treatment involving 20% water and 40% refined flour resulted in higher G′ and G″ values in both the sourdough and formulated dough. Meanwhile, the combination of 20% water and 30% refined flour produced bread with the highest specific volume and springiness, along with the lowest firmness, chewiness, and gumminess.

Conclusion

The best bread was achieved with 20% water and 30% refined flour for refreshment.

Significance and Novelty

This study provides insights for optimizing sourdough formulations, benefiting artisanal and industrial bread‐making.
Low‐Temperature Catalytic Approaches for Upcycling Plastics into Oxygenated Aromatic Compounds
Authors: Lim Jason Y. C.
Published: November 2024

Plastic upcycling is an emerging strategy to address the global plastic waste crisis, where these abundant polymers are converted into products of higher economic value. This not only complements and adds to existing recycling efforts, but also offers opportunities to retain the inherent chemical value of the plastics within circular loops, albeit in different forms for alternative uses. With aromatics constituting a major component of current petrochemical production, the production of aromatics from post‐synthetic conversion of plastics can potentially alleviate the demand on fossil fuels. Although BTX (benzene, toluene, and xylenes) production has been a major focus of these efforts, oxygenated aromatic compounds (OACs), such as benzoic acids, are also highly‐valued across various industrial sectors, and necessitate fundamentally different processes from BTX synthesis from plastics. In this concepts article, some of the most promising emerging methods for direct synthesis of OACs from commodity petroleum‐based plastics are spotlighted, including from nonoxygenated hydrocarbon polymers such as polystyrene. With a special emphasis on emerging low temperature technologies (<150 °C), which encompass but are not limited to photo‐ and biocatalysis, this concepts article aims to position plastics as a viable source of OACs accessible under sustainable conditions for future industrial translations.
A Multistep Oxidative Cascade Reaction from a Naphthalenediol‐Based Pre‐Ligand to a Tetranuclear Perylenequinone‐Based FeIII Complex
Authors: Finke Jasmin , Oldengott Jan , Stammler Anja , Glaser Thorsten
Published: November 2024

We have developed a family of dinuclear complexes using 2,7‐disubstituted 1,8‐naphthalenediol ligands that bind by molecular recognition to two neighboring phosphate diesters of the DNA backbone with the dinuclear CuII and NiII complexes exhibiting a severe cytotoxicity for human cancer cells. To increase the binding affinity, we intended to synthesize the corresponding dinuclear FeIII complex. Surprisingly, we obtained a tetranuclear FeIII perylene‐based complex instead of the expected dinuclear FeIII naphthalene‐based complex. In order to establish a rational and reproducible synthesis, we carefully analyzed this reaction. This revealed a multistep oxidative cascade reaction including the pre‐coordination of FeII ions in the N3‐binding pockets, the Lewis‐acid assisted MOM‐deprotection of the pre‐ligand by the pre‐oriented FeII ions, two oxidative aromatic C−C coupling reactions, oxidation of the perylene‐based backbone and of FeII to FeIII. The careful analysis of bond lengths, HOMA indices (harmonic oscillation model of aromaticity), FTIR and UV‐Vis‐NIR spectra supported by DFT calculations reveals the presence of an aromatic 18‐electron oxidized perylenequinone ligand backbone. In summary, a multistep cascade reaction involving in total a 10‐electron oxidation has been established for the straight‐forward synthesis of an unprecedented perylenequinone‐based ligand system.
Metal Pyrazolyl‐Diphosphonate Pillared Materials as Heterogeneous Catalysts in the Mukaiyama‐Type Aerobic Olefin Epoxidation
Authors: Giakoumakis Nikolaos S. , Chachlaki Elpiniki , Choquesillo‐Lazarte Duane , Demadis Konstantinos D.
Published: November 2024

The structural variability and chemical stability of metal phosphonates under harsh conditions are attractive attributes that have drawn considerable attention in recent years. As the need for more sustainable solutions rises, the demand for novel and tolerant materials also increases. Thus, herein we report, for the first time, the synthesis of a novel diphosphonic organic linker named pyrazole diphenyl phosphonate (PZDP), envisioning the fabrication of durable metal phosphonates. In view of this, a series of M‐PZDP materials (M=Ca, Sr, Ba, Zn and Co) were synthesized employing either solvothermal or hydrothermal methods. The crystal structures of the Ca, Sr, Zn, and Co derivatives were determined revealing a 2D‐pillared architecture. Zn‐PZDP is an anionic framework with dimethylammonium cations. The Co‐PZDP compound was tested as a heterogeneous catalyst in olefin epoxidation employing molecular oxygen.
Dynamisches Grey‐Box‐Modell des Prozesses der chemischen Absorption für Echtzeitanwendungen
Authors: Fedorov Alexander , Weber Mike , Frei Hermann , Kenig Eugeny Y.
Published: November 2024

In dieser Arbeit wird die Entwicklung dynamischer Grey‐Box‐Modelle für den Einsatz in Echtzeitanwendungen präsentiert. Solche Modelle können Anwendung in Systemen zur automatisierten Störfallprävention in der chemischen Industrie finden. Anhand des Beispiels der chemischen Absorption von CO2 in wässrigen Monoethanolamin‐Lösungen wird der Entwurf von Grey‐Box‐Modellen für komplexe verfahrenstechnische Steuerprozesse erläutert. Dabei wird aufgezeigt, wie ein rigoroses Rate‐based‐Modell die Grey‐Box‐Modellierung unterstützen kann. Der Entwicklungsprozess wird detailliert beschrieben, und das Ergebnis wird als mathematisches System dargestellt. Die Resultate der Arbeit werden für die Entwicklung von marktgängigen Softwarewerkzeugen zur Vermeidung von Störfällen in der Industrie genutzt.
Study on mixing performance of perforation static mixers applied to high viscosity polymer mixing
Authors: Wang Chenyang , Wang Jiankang , Li Zhijun , Yang Zuliang , Hao Lijun , Zheng Yiwen
Published: November 2024

To investigate the effect of perforation structure on the mixing performance, three kinds of perforation arrangement were used to modify Kenics static mixer, which were radial arrangement, axial arrangement, and diagonal arrangement. The corresponding modified static mixers were constructed and named PSM‐R, PSM‐A, and PSM‐D. The flow of polymer melts inside them were simulated using Polyflow software. The effects of perforation arrangement, perforation diameter (d), and perforation spacing distance (δ) on segregation scale (S) and pressure drop (Δp) were analyzed using single‐factor experiment. The results showed that the perforation structure was helpful to improve the mixing effect. The impact of d on S and Δp was more significant. While increasing d of PSMs, S firstly decreased and then increased. However, Δp monotonously decreased. The impact of δ on S and Δp was smaller. The model of Reynolds number (Re) versus Δp was obtained by fitting and the effect of Re on Δp was significant. In all PSMs, PSM‐A with d of 3 mm and δ of 7 mm has the smallest S, that was reduced by 26.2%, compared to the standard Kenics static mixer.
Association Between State‐Wide Cardiac Quality Improvement Program and Costs Following Intervention for Coronary Artery Disease
Authors: Wong Edwin S. , Nelson Joshua , Whitten Richard , Maynard Charles , Collins‐Brandon Jeannie , Sitcov Kristin , Hira Ravi S.
Published: November 2024

Background

Since 2010, all non‐VA hospitals performing cardiac surgeries and percutaneous interventions in Washington State have participated in the Cardiac Care Outcomes Assessment Program (COAP), a data‐driven, physician‐led collaborative quality improvement (QI) collaborative. Prior literature has demonstrated QI programs such as COAP can avert avoidable utilization such as hospital readmissions. However, it is unknown whether such improvements translate into economic benefits.

Hypothesis

This study compared downstream healthcare costs between patients undergoing cardiac interventions for coronary artery disease (CAD) at hospitals that were and were not participating in COAP.

Methods

Post hoc analysis of Medicare administrative and claims data examined 2.5 million randomly selected deidentified beneficiaries receiving a percutaneous coronary intervention or coronary artery bypass grafting between 2013 and 2020. Total costs were defined as all reimbursements paid by Medicare for up to 5 years following cardiac intervention. Because all non‐VA hospitals in Washington State participated in COAP, we compared respective groups of patients receiving intervention in Washington State with all non‐Washington states, adjusting for patient demographics and comorbidity. To model costs, we applied a multipart estimator, which distinguishes the impact of QI program participation due to survival and utilization while accounting for censoring.

Results

Total 5‐year downstream costs were $3861 lower (95% confidence interval [CI] = $1794 to $5741) among patients receiving cardiac intervention at COAP‐exposed hospitals. Lower costs were largely driven by lower utilization during calendar quarters where death was not observed.

Conclusions

Participation in this state‐wide cardiac quality improvement program was associated with economic benefits in patients receiving intervention for CAD.
Density Functional Theory Study on Screening and Key Metrics for Non‐Metallic Oxygen Reduction Catalysts
Authors: Wang Jinlong , Guo Jinmin , Shao Weiwei , He Bingling , Liu Daping , Song Wei , Li Xiao‐Chun
Published: November 2024

This study systematically investigates the oxygen reduction reaction (ORR) catalytic activity of graphene doped with various non‐metallic impurities. The non‐metal elements include boron (B), silicon (Si), nitrogen (N), phosphorus (P), arsenic (As), oxygen (O), sulfur (S), selenium (Se), tellurium (Te), fluorine (F), chlorine (Cl), bromine (Br), and iodine (I). We found that adsorbates tend to adsorb on positively charged impurity atoms. We identified several substrates with good catalytic activity, all of which have an ORR overpotential of around 0.6 V. We further verified the thermodynamic stability of these substrates and found them to be very stable. We summarized the optimal adsorption energies for ORR intermediates O2H, O, and OH to be −1.9, −3.4, and −2.4 eV, respectively, and validated their reasonableness. Finally, we used simple linear functions to fit the relationship between the adsorption energies of O2H, O, and OH and the charge and magnetic moment of the adsorption site atoms. This model can roughly predict the ORR catalytic activity of doped graphene, facilitating the faster screening of excellent ORR catalysts.
Why Including Solvation is Paramount: First‐Principles Calculations of Electrochemical CO2 Reduction to CO on a Cu Electrocatalyst
Authors: Gholizadeh Reza , Pavlin Matic , Likozar Blaž , Huš Matej
Published: November 2024

Electrochemical reduction reaction of CO2 (eCO2RR) to produce valuable chemicals offers an attractive strategy to solve energy and environmental problems simultaneously. We have mapped out entire reaction pathways of eCO2RR to CO on Cu(100), including all intermediates and transition states using first‐principles simulations. To accurately account for the solvent effect, the reaction was investigated with and without explicit water molecules, highlighting the limitations of the often (mis)used vacuum reaction pathway simplification. The results show that the reduction reaction was initiated under neutral pH conditions at an applied potential of −0.11 V (RHE, reversible hydrogen electrode) and all elementary reactions were thermodynamically favorable, while an applied potential of −1.24 V is required to ensure that all reactions exhibit spontaneous behavior. Detailed analysis revealed that solvation significantly influences the stability of the adsorbates and intermediates. Its inclusion notably alters the calculated reaction kinetics and energetic parameters by lowering the barrier energies and Gibbs free energies of all reactions. CO production proceeded mainly via the COOH* pathway (CO2 →trans‐COOH*→cis‐COOH*→CO*+OH*→CO*→CO). The use of water as a more sustainable and cost‐effective solvent is compared to other options such as organic solvents, ionic liquids and mixed solvent systems, which are less sustainable and more expensive.
Bipyridyl Functionalized NHC‐Sulfenyl, Selenenyl Cations; Potential Species for Alkylation Reactions and Ligands in Copper(I) Catalysis
Authors: Das Bhagyashree , Sahoo Amiya Kumar , Alam Maksood , Panda Subhra Jyoti , Purohit Chandra Shekhar , Doddi Adinarayana
Published: November 2024

Reactions of bipyridyl‐functionalized imidazole‐thiones and selones with MeX (X=I, OTf) afforded sulfenyl and selenenyl cations [(NNC)EMe]X (2/3, E=S, Se). Further reactions of these main‐group cations with [Cu(CH3CN)4]BF4, Cu(OTf) furnished dicationic [{Cu(μ‐I)(NNC)EMe}2][Y]2 (5/6, Y=BF4, OTf) and tricationic copper(I) complexes [Cu{(NNC)EMe}2](OTf)2BF4 (7 a/7 b) when employed [(NNC)EMe]I and [(NNC)EMe]OTf respectively. All these cationic complexes were characterized by various spectroscopic techniques, including X‐ray diffraction analysis. The solid‐state structures revealed novel bonding modes of the cations. The cationic nature of new complexes was analyzed by the 77Se NMR spectroscopy, which indicated different electronic environments around the selenium centers. The cations [(NNC)EMe]X (X= I, OTf), and (NNC)SMe bearing copper complex [{Cu(μ‐I)(NNC)EMe}2][Y]2 proved as potential candidates for alkylation of various Lewis bases and as molecular catalyst in aldehyde‐alkyne‐amine coupling reactions, respectively. The latter catalytic reactions yielded a range of three‐component products in good to excellent yields with low catalyst loading under solvent‐free conditions, which demonstrate the potential utility of group‐16 cations as ancillary ligands in homogeneous catalysis.
Modelling Lithium‐Ion Transport Properties in Sulfoxides and Sulfones with Polarizable Molecular Dynamics and NMR Spectroscopy
Authors: Piacentini Vanessa , Simari Cataldo , Mangiacapre Emanuela , Nicotera Isabella , Brutti Sergio , Pierini Adriano , Bodo Enrico
Published: November 2024

We present a computational study of the structure and of the transport properties of electrolytes based on Li[(CF₃SO₂)₂N] solutions in mixtures of sulfoxides and sulfones solvents. The simulations of the liquid phases have been carried out using molecular dynamics with a suitably parametrized model of the intermolecular potential based on a polarizable expression of the electrostatic interactions. Pulse field gradient NMR measurements have been used to validate and support the computational findings. Our study show that the electrolytes are characterized by extensive aggregation phenomena of the support salt that, in turn, determine their performance as conductive mediums.
Cerebral Ischemia Protection After Aneurysmal Subarachnoid Hemorrhage: CSF Nimodipine Levels After Intravenous Versus Oral Nimodipine Administration
Authors: Moser Miriam M. , Rössler Karl , Hirschmann Dorian , Gramss Leon , Tahir Ammar , Plöchl Walter , Herta Johannes , Reinprecht Andrea , Zeitlinger Markus , Hosmann Arthur
Published: November 2024

There is accumulating evidence that cerebrospinal fluid (CSF) concentrations of nimodipine correlate with long‐term outcome of patients after subarachnoidal hemorrhage (aSAH) by impeding cerebral ischemia. However, pharmacological data on simultaneous serum vs. CSF and intraparenchymal nimodipine values are rarely reported in larger patient groups. Nimodipine concentrations were determined in plasma, CSF, and cerebral interstitial fluid (ISF), at steady state after oral (6 × 60 mg/day) and intravenous (0.5, 1, 1.5 and 2 mg/h) administrations in 10 patients after aSAH. Area under the concentration time curve (AUC0–24) for intravenous nimodipine was highest at an infusion rate of 2 mg/h in plasma (1335.87 ± 591.09 mg*h/L), followed by CSF (39.53 ± 23.07 mg*h/L), resulting in an overall CSF penetration ratio of 3.8% (±1.5) (AUCCSF/AUCplasma). In contrast, nimodipine levels were significantly lower in both plasma (AUC0–24 298.32 ± 206.52 mg*h/L) and CSF (AUC0–24 34.8 ± 16.56 mg*h/L) after oral administration. In cerebral ISF, low amounts of nimodipine were detectable in only 4 patients at an infusion rate of 1.5 and 2 mg/h as well as following oral administration. We found significantly higher CSF nimodipine levels in patients during intravenous compared to oral administration. In contrast, only low amounts of nimodipine were detected in the ISF after both oral and intravenous administration. Our findings strongly suggest that the main clinical nimodipine effect of impeding life threatening cerebral ischemia is mediated through significant higher CSF levels after intravenous administration, more likely effective than oral administration.
Performance Analysis of Reflective Intelligent Surface Assisted Bidirectional Full‐Duplex Communication Systems Over Nakagami‐m$$ m $$ Fading Channels
Authors: Rajesh R. , Bagubali A.
Published: November 2024

In this paper, a passive reflective intelligent surface (RIS) assisted bidirectional full‐duplex (FD) wireless system in a realistic Nakagami‐ fading with reflective elements and two source nodes is proposed. The source nodes are equipped with dual antennas for FD mode transmission and reception. The primary cause of degradation in the performance of the FD system is self‐interference, which can be reduced by increasing the number of reflective elements on the meta‐surface. Analytical expressions have been derived for the proposed RIS‐aided bidirectional FD wireless systems in terms of outage probability and bit error rate (BER). Numerical results show that doubling the number of reflecting elements considerably improves the outage performance of the proposed system in terms of signal‐to‐noise ratio (SNR) compared with RIS‐assisted half‐duplex (HD) mode. Additionally, different modulation schemes have been employed to evaluate the BER performance of the proposed system. The accuracy of analytical expressions is validated by matching Monte Carlo with analytical simulations.
Metasurface‐Loaded Twin‐Port Circularly Polarized Microstrip Array Antenna With High Gain and Isolation Features for mm‐Wave‐Based 5G Communication System
Authors: Verma Shashikant , Pandit Ankit , Gupta Sanjeev Kumar
Published: November 2024

In this article, a MIMO microstrip aerial in mm‐wave regime is structured and examined. A 1 × 2 array‐based structure is designed to get directional radiation beam, which in turn provides good gain value, that is, 10.2 dBi in mm‐wave regime. The use of defected ground structure (DGS) improves the impedance matching (more than 25 dB) of the proposed radiator. Metasurface is suspended over the twin port aerial for adding two important features: (i) reduction of mutual coupling between antenna ports, that is, less than −25 dB; and (ii) conversion of the linear waves into the circular one in between 30.45 and 30.95 GHz. Experimental measurement of designed radiator confirms that designed aerial works in between 30.4 and 31.5 GHz with separation level more than 25 dB. Stable field pattern and good diversity parameter confirms its employability for mm‐wave 5G communication system.