bluuebunny/crossref_metadata_2025_split huggingface dataset:
Grain Boundary Tailors the Local Chemical Environment on Iridium Surface for Alkaline Electrocatalytic Hydrogen Evolution
Authors: Hou Liqiang , Li Zijian , Jang Haeseong , Kim Min Gyu , Cho Jaephil , Liu Shangguo , Liu Xien 
Published: December 2023

AbstractEven though grain boundaries (GBs) have been previously employed to increase the number of active catalytic sites or tune the binding energies of reaction intermediates for promoting electrocatalytic reactions, the effect of GBs on the tailoring of the local chemical environment on the catalyst surface has not been clarified thus far. In this study, a GBs‐enriched iridium (GB−Ir) was synthesized and examined for the alkaline hydrogen evolution reaction (HER). Operando Raman spectroscopy and density functional theory (DFT) calculations revealed that a local acid‐like environment with H3O+ intermediates was created in the GBs region owing to the electron‐enriched surface Ir atoms at the GBs. The H3O+ intermediates lowered the energy barrier for water dissociation and provided enough hydrogen proton to promote the generation of hydrogen spillover from the sites at the GBs to the sites away from the GBs, thus synergistically enhancing the hydrogen evolution activity. Notably, the GB−Ir catalyst exhibited a high alkaline HER activity (10 mV @ 10 mA cm−2, 20 mV dec−1). We believe that our findings will promote further research on GBs and the surface science of electrochemical reactions.
Copper‐Catalyzed α‐Arylation of Nitroalkanes with (Hetero)aryl Bromides/Iodides
Authors: Huang Jianqiang , Li Taian , Lu Xiaobiao , Ma Dawei 
Published: December 2023

Abstractα‐Aryl substituted nitroalkanes are valuable synthetic building blocks that can be easily converted into α‐aryl substituted aldehydes, ketones, carboxylic acids, as well as amines. Herein, an efficient Cu/oxalamide‐catalyzed coupling between nitroalkanes and (hetero)aryl halides (Br, I) was developed to direct access highly diverse α‐aryl substituted nitroalkanes. Compared with the current state of art, this protocol is more environmentally friendly and practical for synthetic chemists. This approach is characterized by a broad substrate scope on both nitroalkane part (primary nitroalkanes and nitromethane) and sp2 halide part ((hetero)aryl bromides/iodides and alkenyl bromides/iodides). The excellent functional group tolerance was observed, which would enable real world synthetic applications. More importantly, TON of current transformation reached to 3640, when some aryl iodides were used as coupling partners. This represents currently the highest catalyst turnover for transition‐metal catalyzed α‐arylation of nitroalkanes. Furthermore, the successful application in late‐stage modification of complex molecules and synthesis of a known retinoid X receptor (RXR) antagonist exemplified its synthetic potential.
Characterization of food emulsions and dispersions based on nonlinear friction dynamics
Authors: Sekine Ryota , Kikuchi Minami , Nonomura Yoshimune 
Published: December 2023

AbstractMany foods are emulsions or dispersions containing lipids. The friction properties of foods are evaluated because they affect food texture and processability. Here, we evaluated the friction characteristics of 55 liquid or semisolid foods using a sinusoidal motion friction evaluation system to classify them based on friction dynamics. The contact surface was made to resemble a biological surface using agar gel, which exhibited a fractal structure, and the movement of the contact probe mimicked living movement by sinusoidal motion. The change in average friction coefficient (Δμ), static friction coefficient (Δμs) in a round trip, delay time (Δδ), and friction profile depended on the condition and rheological properties. Principal component analysis showed that all the friction parameters of Δμ, Δμs, Δδ, and the appearance ratio of the profile were involved in the principal components, Z1 and Z2 which are composite variables obtained by the contraction of many friction parameters in a principal component analysis. In addition, the foods were classified into three groups by cluster analysis using Z1 and Z2. The condition of the foods, rheological properties, and the presence or absence of lipids was the factors that defined each group.
Formulation of jaggery based sesame (Sesamum indicum L.) seed spread using response surface methodology: A novel alternative for consumers
Authors: Gojiya Devanand , Gohil Vanraj , Dabhi Mukesh , Dhamsaniya Navnitkumar 
Published: December 2023

AbstractThe aim of this study was to develop a jaggery based sesame seed spread. A central composite rotatable design (CCRD) was employed with various parameters: roasting temperatures (Y1: 110–170°C), roasting time period (Y2:10–30 min), Hydrogenated vegetable oil (Y3: 3%–7%), and jaggery level (Y4: 4%–20%) to optimize its process. The evaluation of the sesame spread involved analyzing its texture attributes (adhesiveness, cohesiveness, hardness, and viscosity) and its sensory characteristics (taste, color and appearance, spreadability, aroma, and overall acceptability). The results revealed that the roasting temperatures exerted the highest influence among the tested variables, followed by the roasting time period, jaggery content, and hydrogenated vegetable oil. Optimum sesame spread quality attributes were obtained with roasting temperatures (147°C), roasting time period (27.30 min.), hydrogenated vegetable oil (6.20%), and jaggery content (9.50%). The successful incorporation of jaggery for producing a high‐quality sesame spread resulted in a noteworthy improvement in the quality profile of the sesame spread.
Synthesis and biological evaluation of novel benzenesulfonamide incorporated thiazole–triazole hybrids as antimicrobial and antioxidant agents
Authors: Monika  , Chander  , Sharma Deepansh , Sharma Pawan K. , Ram Sita 
Published: December 2023

AbstractA library of 20 novel benzenesulfonamide incorporating thiazole tethered 1,2,3‐triazoles 1–4a–e was synthesized and screened for their antimicrobial, antioxidant, and cytotoxicity studies. Amoxicillin and fluconazole were used as reference antibacterial and antifungal drugs, respectively. Further, energies of frontier molecular orbitals were calculated for all the synthesized target compounds 1–4a–e to correlate electronic parameters with the observed biological results. Global reactivity descriptors, including highest occupied molecular orbitals‐lowest unoccupied molecular orbitals energy gap, electronegativity, chemical hardness, chemical softness, and electrophilicity index, were also calculated for the synthesized molecules. All the tested compounds possessed moderate to excellent antibacterial potency; however, 3d and 4d exhibited the overall highest antibacterial effect (minimum inhibitory concentration [MIC] values 5–11 µM) while 2c showed the highest antifungal effect (MIC value 6 µM). Compound 3c exhibited the highest antioxidant activity with a % radical scavenging activity value of 95.12. The cytotoxicity of the compounds 1–4a–e was also checked against an animal cell line and a plant seed germination cell line, and the compounds were found to be safe against both the tested cell lines.
Practical Evaluation of Anionic Redox in Li‐rich Cathode: An Electrochemical Study
Authors: Wu Haichuan , Zeng Linhui , Zhang Yiming , Wang Lingling , Luo Shiyu , Fang Yuan , Wu Yi , Qu Yuteng , Huang Huaijin , Li Suluo , Zhang Baodan , Qiao Yu , Sun Shi‐Gang 
Published: December 2023

AbstractLithium‐rich (Li‐rich) manganese‐based layered oxide materials are promising candidates for positive electrode materials due to their high energy density. However, challenges such as transition metal cation migration and irreversible anionic redox hinder their application. This study employs various electrochemical methods to systematically investigate three types of cathode materials: LiNi0.6Mn0.2Co0.2O2(NCM622), Li1.12Ni0.39Mn0.49O2(Li1.12), and Li1.2Ni0.2Mn0.6O2(Li1.2). The findings indicate that an increase in lithium content leads to higher participation of anions in Anion Redox Reactions (ARRs), resulting in an augmented capacity. However, this also brings about significant polarization. The activation process of Li‐rich materials triggers the ARRs mechanism, resulting in a sharp increase in resistance. Voltage drops during shelving and cycling are closely tied to the ARRs occurring at high potentials in Li‐rich materials. To make the best use of the additional capacity associated with ARRs, it is essential to adjust the formation/cycling voltage in accordance with the characteristics of positive electrode materials with varying lithium contents. This study offers valuable insights for the design and utilization of Li‐rich materials.
Rescue strategies for valproic acid overdose poisoning: Case series and literature review
Authors: Liu Renzhu , Xiao Lu , Hu Yixiang , Yan Qingzi , Liu Xiang 
Published: December 2023

Key Clinical MessageValproic acid (VPA) is a wide‐ranging anti‐epileptic medication that primarily affects bipolar disorder, mania, and migraine. The leading causes of mortality associated with acute poisoning from VPA are nervous system toxicity, drug‐induced shock due to encephalopathy from hyperammonemia, as well as acute liver and kidney failure, and respiratory depression that contribute to hemodynamic instability. Treatment of acute VPA poisoning primarily involves in vitro elimination methods, including hemoperfusion (HP), hemodialysis, and hemofiltration, as well as drug remedies such as L‐carnitine and meropenem. Nonetheless, there are conflicting opinions regarding drug usage. This article details the three cases of acute poisoning from VPA. The fundamental approach to treatment employs HP assisted by blood concentration monitoring to alleviate shock and stabilize hemodynamics. This investigation presents guidance for the treatment and management of acute poisoning with VPA in clinical settings.
Intracranial intricacies: Comprehensive analysis of rare skull base meningiomas—A single‐center case series
Authors: Nadeem Abdullah , Khan Afsheen , Habib Ashna , Tariq Rabeea , Ahsan Areeba , Basaria Areeba Aamir Ali , Raufi Nahid , Chughtai Abir 
Published: December 2023

Key Clinical MessageThis study paper's main goal is to report rare cases of skull base meningiomas that exemplify the complexities of diagnosis, therapy, and postoperative care. By describing these rare cases, we hope to advance knowledge of the clinical signs, difficulties, and prognoses of skull base meningiomas in a challenging anatomical setting. In the posterior cranial fossa, our investigation reveals a unique example of skull base meningioma that involved numerous cranial nerves and complex vasculature. A variety of visual abnormalities were present in the patient's clinical presentations, highlighting the wide range of symptoms that these tumors might cause depending on their precise positions. These cases highlight the critical importance of preoperative imaging, including high‐resolution MRI and angiography, as well as the diagnostic difficulties these tumors pertain. By reporting these instances, our research adds to the body of knowledge about skull base meningiomas and offers insightful information about the nuances of their therapies. Our findings highlight the importance of individualized treatment plans, interdisciplinary cooperation, and the demand for continued study to better comprehend these convoluted tumors. Such studies are essential for advancing our knowledge of these enigmatic tumors, guiding clinical judgment, and eventually improving patient outcomes. These findings are important because they can fill information gaps, improve treatment plans, and encourage additional research in neuro‐oncology.AbstractThis study presents a series of three rare cases of skull base meningiomas, emphasizing the complexities in diagnosis, treatment, and postoperative care. The patients' clinical presentations and imaging highlighted the diverse symptoms and challenges associated with these tumors, found in intricate anatomical locations. The cases underscore the crucial role of preoperative high‐resolution imaging and angiography in diagnostic accuracy. Surgical intervention, guided by a multidisciplinary approach, is pivotal in managing these demanding cases. Histopathological examinations confirmed atypical meningiomas. The postoperative phases involved meticulous care to ensure optimal recovery and functional outcomes. Our findings contribute to the understanding of skull base meningiomas, emphasizing the need for personalized treatment plans and ongoing research to improve patient outcomes in neuro‐oncology.
Negative myoclonus as a manifestation of cefepime neurotoxicity
Authors: Umemoto Daichi , Kuroda Hirokazu , Nishioka Hiroaki 
Published: December 2023

Key Clinical MessageNegative myoclonus may present in the early stages of cefepime neurotoxicity. Cefepime neurotoxicity typically presents as reduced consciousness, myoclonus, and seizures; however, negative myoclonus is uncommon. This video shows an older woman with cefepime neurotoxicity that presented as a negative myoclonus of the upper limbs.
Ab initio molecular dynamics of solvation effects and reactivity at the interface between water and ascorbic acid covered anatase TiO2 (101)
Authors: Ritacco Ida , Gatta Gianluca , Caporaso Lucia , Farnesi Camellone Matteo 
Published: December 2023

AbstractIn this work, we present a detailed study of the interaction between ascorbic acid (L‐asc) and anatase TiO2 (101) surface both in gas phase and in contact with water by using density functional theory and ab initio molecular dynamics simulations. In gas phase, L‐asc strongly binds the TiO2(101) surface as a dianion (L‐asc2−), adopting a bridging bidentate coordination mode (BB), with the two acid protons transferred to two surface 2‐fold bridging oxygens (O2c). AIMD simulations show that the interaction between the organic ligand and the anatase surface is stable and comparable to the vacuum one despite the possible solvent effects and/or possible structural distortions of the ligand. In addition, during the AIMD simulations hydroxylation phenomena occur forming transient H3O+ ions at the solid‐liquid interface. For the first time, our results provide insight into the role of the ascorbic acid on the electronic properties of the TiO2 (101), the influence of the water environment on the ligand‐surface interaction and the nature of the solid‐liquid interface.
An explainable machine learning model of cognitive decline derived from speech
Authors: Chandler Chelsea , Diaz‐Asper Catherine , Turner Raymond S. , Reynolds Brigid , Elvevåg Brita 
Published: December 2023

AbstractINTRODUCTIONTraditional Alzheimer's disease (AD) and mild cognitive impairment (MCI) screening lacks the sensitivity and timeliness required to detect subtle indicators of cognitive decline. Multimodal artificial intelligence technologies using only speech data promise improved detection of neurodegenerative disorders.METHODSSpeech collected over the telephone from 91 older participants who were cognitively healthy (n = 29) or had diagnoses of AD (n = 30) or amnestic MCI (aMCI; n = 32) was analyzed with multimodal natural language and speech processing methods. An explainable ensemble decision tree classifier for the multiclass prediction of cognitive decline was created.RESULTSThis approach was 75% accurate overall—an improvement over traditional speech‐based screening tools and a unimodal language‐based model. We include a dashboard for the examination of the results, allowing for novel ways of interpreting such data.DISCUSSIONThis work provides a foundation for a meaningful change in medicine as clinical translation, scalability, and user friendliness were core to the methodologies.Highlights
Remote assessments and artificial intelligence (AI) models allow greater access to cognitive decline screening.
Speech impairments differ significantly between mild AD, amnestic mild cognitive impairment (aMCI), and healthy controls.
AI predictions of cognitive decline are more accurate than experts and standard tools.
The AI model was 75% accurate in classifying mild AD, aMCI, and healthy controls.
Advances in flexible inorganic thermoelectrics
Authors: Shi Xiao‐Lei , Cao Tianyi , Chen Wenyi , Hu Boxuan , Sun Shuai , Liu Wei‐Di , Li Meng , Lyu Wanyu , Hong Min , Chen Zhi‐Gang 
Published: December 2023

AbstractSolid‐state bismuth telluride‐based thermoelectric devices enable the generation of electricity from temperature differences and have been commercially applied in various fields. However, in many scenarios, the surface of the heat source is not flat. Therefore, it is crucial to develop flexible thermoelectric materials and devices to efficiently utilize heat sources and expand their applications. Compared with organic thermoelectric materials and devices, inorganic flexible thermoelectric materials and devices have much higher thermoelectric performance and stability. Considering the rapid development in this research field, we carefully summarize the design principles, structures, and thermoelectric properties of inorganic flexible materials and their devices reported in the recent 3 years, including sulfides, selenides, tellurides, and composite materials designed based on these inorganics. The structural designs of flexible thermoelectric devices based on micro‐sized bulk materials are also carefully summarized. Additionally, we overview the mechanical stability and methods for reducing internal resistance for designs of inorganic flexible thermoelectric devices. In the end, we provide outlooks on future research directions for inorganic flexible thermoelectric materials and devices. This review will help guide thermoelectric researchers, beginners, and students.
Cardiorespiratory fitness and risk of heart failure with preserved ejection fraction
Authors: Kokkinos Peter , Faselis Charles , Pittaras Andreas , Samuel Immanuel Babu Henry , Lavie Carl J. , Vargas Jose D. , Lamonte Michael , Franklin Barry , Assimes Themistocles L. , Murphy Rayelynn , Zhang Jiajia , Sui Xuemei , Myers Jonathan 
Published: December 2023

AbstractAimsPreventive strategies for heart failure with preserved ejection fraction (HFpEF) include pharmacotherapies and lifestyle modifications. However, the association between cardiorespiratory fitness (CRF) assessed objectively by a standardized exercise treadmill test (ETT) and the risk of HFpEF has not been evaluated. Thus, we evaluated the association between CRF and HFpEF incidence.Methods and resultsWe assessed CRF in US Veterans (624 551 men; mean age 61.2 ± 9.7 years and 43 179 women; mean age 55.0 ± 8.9 years) by a standardized ETT performed between 1999 and 2020 across US Veterans Affairs Medical Centers. All had no evidence of heart failure or myocardial infarction prior to completion of the ETT. We assigned participants to one of five age‐ and gender‐specific CRF categories (quintiles) based on peak metabolic equivalents (METs) achieved during the ETT and four categories based on CRF changes in those with two ETT evaluations (n = 139 434) ≥1.0 year apart. During a median follow‐up of 10.1 years (interquartile range 6.0–14.3 years), providing 6 879 229 person‐years, there were 16 493 HFpEF events with an average annual rate of 2.4 events per 1000 person‐years. The adjusted risk of HFpEF decreased across CRF categories as CRF increased, independent of comorbidities. For fit individuals (≥10.5 METs) the hazard ratio (HR) was 0.48 (95% confidence interval [CI] 0.46–0.51) compared with least fit (≤4.9 METs; referent). Being unfit carried the highest risk (HR 2.88, 95% CI 2.67–3.11) of any other comorbidity. The risk of unfit individuals who became fit was 37% lower (HR 0.63, 95% CI 0.57–0.71), compared to those who remained unfit.ConclusionsHigher CRF levels are independently associated with lower HFpEF in a dose–response manner. Changes in CRF reflected proportional changes in HFpEF risk, suggesting that the HFpEF risk was modulated by CRF.
Asymmetric Organocatalyzed Synthesis of α‐Aminophosphinates via Thiourea Anion‐Binding Catalysis
Authors: Niland Cáoimhe J. , Ruddy Joseph J. , O'Fearraigh Martin P. , McGarrigle Eoghan M. 
Published: December 2023

AbstractThioureas catalyze the reaction of phosphonites with in situ‐generated isoquinolinium salts to give C and P‐stereogenic α‐aminophosphinates in high enantioselectivity (up to 96 %) and yield (up to 95 %). Low diastereoselectivity was obtained and this is rationalized in the context of a mechanistic proposal involving anion‐binding catalysis of the P−C bond formation step followed by uncatalyzed Arbuzov collapse. The scope of the reaction, including a g‐scale example, was demonstrated.
Energy efficiency analysis of cooperative spectrum sensing: A malicious user's perspective on Byzantine attack
Authors: Liang Haoyu , Wu Jun , Wang Cong , Su Mingkun , Bao Jianrong , Gan Jipeng , Cao Weiwei 
Published: December 2023

AbstractAs wireless communication technology advances rapidly, spectrum resource scarcity has become a major challenge for wireless devices and applications. To address the issue of spectrum resource scarcity, cognitive radio (CR) technology was developed. Its objective is to utilize spectrum sensing to detect the state of the authorized/primary user (PU), allowing the unauthorized/secondary users (SUs) to dynamically access the spectrum resources. Furthermore, cooperative spectrum sensing (CSS) is designed to increase the PU signal's detection accuracy but also suffers from Byzantine attack from malicious users (MUs). To acquire a more profound insight of the detrimental effects of a Byzantine attack on CSS, we establish a probabilistic model that characterizes malicious actions in an infrastructure‐based cognitive radio network (CRN). Building upon this new perspective of MUs, we conduct a comprehensive analytical study to investigate the achievable throughput, energy consumption (EC) of spectrum sensing and data transmission in the CSS process. Moreover, the close‐formed expressions of energy efficiency (EE) with respect to the attack parameters are derived and the impact analysis of Byzantine attack on EE are also provided under the four scenarios. Finally, a series of numerical simulation results demonstrate that provides a guideline for a more secure and robust Byzantine defense strategy in the future.
Partial identification and inference in duration models with endogenous censoring
Authors: Sakaguchi Shosei 
Published: December 2023

AbstractThis paper studies identification and inference in transformation models with endogenous censoring. Many kinds of duration models, such as the accelerated failure time model, proportional hazard model, and mixed proportional hazard model, can be viewed as transformation models. We allow the censoring of a duration outcome to be arbitrarily correlated with observed covariates and unobserved heterogeneity. We impose no parametric restrictions on either the transformation function or the distribution function of the unobserved heterogeneity. In this setting, we develop bounds on the regression parameters and the transformation function, which are characterized by conditional moment inequalities involving U‐statistics. Subsequently, we provide inference methods for them by constructing an inference approach for conditional moment inequality models in which the sample analogs of moments are U‐statistics. We apply the proposed inference methods to evaluate the effect of unemployment insurance on duration of joblessness using data from the Current Population Survey's Displaced Workers Supplements.