bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computer‐Aided Development of New Nonlinear Optical Materials
Authors: Wang Hongshan , Mutailipu Miriding , Yang Zhihua , Pan Shilie , Li Junjie 
Published: December 2024

AbstractExploring new nonlinear optical (NLO) materials is an urgent need for advanced photoelectric technologies. However, the discovery of new materials with targeted properties is time‐consuming, and involves various challenges by the traditional trial‐and‐error experiments. Recently, the theoretical prediction‐guided structural design has been demonstrated as a feasible way for efficiently developing new NLO materials, and a large number of NLO candidates with excellent optical properties have been explored. To promote the development of high‐performance NLO materials, this review provides a summary on the exploration of new NLO materials aided by computer, with a particular emphasis on the state‐of‐the‐art research advances that including crystal structure predictions, optical & thermal property calculations, high‐throughput screening of NLO materials with or without machine learning; and the progress achieved in the computer‐assisted design and development of new deep ultraviolet (DUV), ultraviolet (UV), infrared (IR) NLO materials in various material systems: oxide, chalcogenide, nitride, and halide. Finally, the opportunities and forthcoming challenges in the fascinating field are discussed.
A Highly Efficient Propeller‐Like Organic Radical with Less Solvent Sensitivity and Selective Detection of Aromatic Amines from Aliphatic Amines through Turn‐on Fluorescence
Authors: Ding Zhaoze , Zhu Zihao , Wang Shengjie , Obolda Ablikim , Abdurahman Alim 
Published: December 2024

AbstractHighly efficient red luminescent organic radicals with less solvent sensitivity are much more attractive due to their wide application in various fields, especially in fluorescence sensing, and bioimaging. In this work, we synthesized a three δ‐carboline‐capped highly efficient propeller‐like organic radical TTM‐3δPyID with a D−A structure. The radical showed pure red emission with PLQY of 77.3 % in cyclohexane and kept 35.2 % even in the polar solvent dichloromethane, indicating potential applications in fluorescence sensing. Radical TTM‐3δPyID also showed stepwise proton‐responsive properties and different emissions at the different states. Furthermore, by taking advantage of the nitrogen site of the radical, we have achieved a fluorescent‐quenched radical derivative TTM‐3δPyID‐AB by introducing of 2‐bromoethyl chain through a quaternary ammonium salt reaction. The radical TTM‐3δPyID‐AB showed turn‐on fluorescence in the presence of primary organic amines. Finally, this turn‐on fluorescent property is successfully used to distinguish aliphatic amines from aromatic amines.
Subregion‐specific thalamocortical functional connectivity, executive function, and social behavior in children with autism spectrum disorders
Authors: Chuah Jasmine Si Min , Manahan Aisleen M. A. , Chan Shi Yu , Ngoh Zhen Ming , Huang Pei , Tan Ai Peng 
Published: December 2024

AbstractThe thalamus has extensive cortical connections and is an integrative hub for cognitive functions governing social behavior. This study examined (1) associations between thalamocortical resting‐state functional connectivity (RSFC) and social behavior in children and (2) how various executive function (EF) subdomains mediate the association between thalamocortical RSFC and social behavior. Children from the autism brain imaging data exchange (ABIDE) initiative with neuroimaging, behavioral, and demographic data were included in our study (age < 14, ASD; n = 207, typically developing; n = 259). Thalamocortical RSFC was examined for associations with social communication and interaction (SCI) scores (SRS; social responsiveness scale) using Spearman's rank‐order correlation, first in ASD children and then in typically developing children. This was followed by a more granular analysis at the thalamic subregion level. We then examined the mediating roles of eight EF subdomains in ASD children (n = 139). Right thalamus‐default mode network (DMN) RSFC was significantly associated with SCI scores in ASD children (ρ = 0.23, pFDR = 0.012), primarily driven by the medial (ρ = 0.22, pFDR = 0.013), ventral (ρ = 0.17, pFDR = 0.036), and intralaminar (ρ = 0.17, pFDR = 0.036) thalamic subregions. Cognitive flexibility (ACME = 0.13, punc = 0.016) and emotional control (ACME = 0.08, punc = 0.020) significantly mediated the association between right thalamus‐DMN RSFC and SCI scores. This study provided novel insights into the association between thalamocortical RSFC and social behavior in ASD children at the thalamic subregion level, providing higher levels of precision in brain‐behavior mapping. Cognitive flexibility and emotion regulation were highlighted as potential targets to ameliorate the downstream effects of altered thalamocortical connectivity to improve social outcomes in ASD children.
Towards Next Generation Protein Sequencing
Authors: Yi Yakun , Li Ziyi , Liu Lei , Wu Hai‐Chen 
Published: December 2024

AbstractUnderstanding the structure and function of proteins is a critical objective in the life sciences. Protein sequencing, a central aspect of this endeavor, was first accomplished through Edman degradation in the 1950s. Since the late 20th century, mass spectrometry has emerged as a prominent method for protein sequencing. In recent years, single‐molecule technologies have increasingly been applied to this field, yielding numerous innovative results. Among these, nanopore sensing has proven to be a reliable single‐molecule technology, enabling advancements in amino acid recognition, short peptide differentiation, and peptide sequence reading. These developments are set to elevate protein sequencing technology to new heights. The next generation of protein sequencing technologies is anticipated to revolutionize our understanding of molecular mechanisms in biological processes and significantly enhance clinical diagnostics and treatments.
Nanomaterial‐Enhanced Red Blood Cell Biopreservation: From Refrigeration to Cryopreservation
Authors: Xu Jun , Lei Chuanyi , Zhu Wei 
Published: December 2024

AbstractRed blood cell (RBC) transfusions represent a cornerstone of clinical practice, with RBCs constituting the primary component in transfusion therapy. Extending the preservation of RBCs while maintaining their functional integrity would offer considerable advancements for both transfusion medicine and military healthcare. Despite decades of research, progress in achieving long‐term RBC preservation has been limited. A key challenge is the range of physical and biochemical damage RBCs incur during storage, leading to marked changes in their morphology, physiological function, and viability. While traditional preservation techniques have provided partial mitigation of these damages, their efficacy remains suboptimal. In contrast, nanomaterials, with their distinctive spatial architectures and surface properties, offer a promising avenue for minimizing storage‐related damage and extending RBC preservation. This review provides an overview of the major categories of damage encountered during RBC biopreservation, classified into storage lesions and cryolesions. We also highlight the key role of nanomaterials in enhancing the storage quality of RBCs and prolonging their preservation duration. Finally, we discuss the current challenges and pressing issues faced by nanomaterial‐based RBCs biopreservation.
ZnIn2S4 with a hybrid reaction mechanism and sulfur vacancies for sustainable sodium storage
Authors: Wang Yu , Zhang He He , Wen Zi , Sun Chang Ning , Wang Guo Yong , Wang Ming‐Sheng , Yang Chun Cheng , Jiang Qing 
Published: December 2024

AbstractConventional monometallic sulfides are usually conversion or conversion‐alloying‐dominated anodes, while the sluggish kinetics and severe volume variation greatly hamper their electrochemical properties in sodium‐ion batteries. Herein, bimetallic sulfides (Vs‐ZnIn2S4) are developed with S vacancies, which are verified via electron paramagnetic resonance. A possible reaction mechanism (intercalation–conversion–alloying) is proposed, which is characterized by in situ X‐ray diffraction. In addition, the small volume change during (de)sodiation of Vs‐ZnIn2S4 is also observed by in situ transmission electron microscopy. The Vs‐ZnIn2S4 anode shows ultrastable and superfast sodium storage performance, such as outstanding long‐term cycling durability at 10 A g−1 (349.6 mAh g−1 after 2000 cycles) and rate property at 80 A g−1 (222.7 mAh g−1). Moreover, the full cell [Vs‐ZnIn2S4//Na3V2(PO4)3/C] achieves an excellent property after 300 cycles (185.9 mAh g−1) at 5 A g−1, showing significant potential for real‐world applications.
Photocatalytic CeCl3‐Promoted C−H Alkenylation and Alkynylation of Alkanes
Authors: Stini Naya A. , Gkizis Petros L. , Triandafillidi Ierasia , Kokotos Christoforos G. 
Published: December 2024

AbstractThe reemerging field of photoredox catalysis offers numerous advantages towards the development of novel, sustainable and easy‐to‐execute organic transformations. Herein, we report a light‐triggered application of cerium complexes towards the C−H alkenylation and alkynylation of alkanes. An indirect HAT‐mediated photocatalytic protocol was developed, using a cerium salt (CeCl3 ⋅ 7H2O) and a chlorine source (TBACl) as the catalytic system. A variety of cyclic and linear hydrocarbons were utilized, delivering the corresponding alkenylation or alkynylation products in good to high yields, displaying high regioselectivity. A series of mechanistic experiments were conducted.
Fine Needle Aspiration Cytological Diagnosis of Primary Breast Large‐Cell Neuroendocrine Carcinoma/Squamous Cell Carcinoma
Authors: Cui Wenjing , Yang Changwei , Ding Xiaochen , Liu Jiayan , Zhang Hongjuan , Xu Hong 
Published: December 2024

ABSTRACTPrimary breast large‐cell neuroendocrine carcinoma (LCNEC)/squamous cell carcinoma (SCC), also referred to as mixed neuroendocrine/non‐neuroendocrine neoplasms of the breast (Br‐MiNENs), represents an exceedingly rare malignancy. We report the first case of primary breast LCNEC/SCC diagnosed via ultrasound‐guided fine‐needle aspiration (FNA) biopsy of the left supraclavicular and left internal mammary lymph nodes. The patient, a 40‐year‐old female, underwent a lumpectomy followed by breast‐conserving surgery and was diagnosed with primary breast LCNEC. Notably, within merely four months following the breast‐conserving surgery, PET‐CT revealed lymph node enlargement, prompting the performance of FNA. FNA cytology of metastatic lymph nodes revealed two distinct tumor components, allowing for clear differentiation between LCNEC and SCC in the smear. The diagnosis was further corroborated by immunocytochemical (ICC) staining of the cell blocks. Subsequently, histopathological re‐examination of the breast mass revealed occult SCC components comprising less than 1% of the tumor cells. Additionally, the case exhibited triple‐negative breast cancer, with PIK3CA, TP53, RB1, and BCL2L11 mutations identified through next‐generation sequencing (NGS). Br‐MiNEN is exceedingly rare, and its cytological diagnosis poses significant challenges. It is recommended that a detailed and objective description of each tumor component and its proportion be provided. This report provides the first detailed description of the FNA cytology of LCNEC/SCC, thereby enhancing cytopathologists' comprehension of this tumor. Auxiliary studies, including ICC staining and molecular biology assays, are crucial for accurate diagnosis, therapy, and prognosis.
Survey of Latin American ketogenic diet centers: Challenges and success for “La Terapia Cetogénica”
Authors: Armeno Marisa , Kossoff Eric H. , Guilhoto Laura , Caraballo Roberto 
Published: December 2024

AbstractObjectiveDespite growing recognition of the efficacy of ketogenic diet therapies (KDT) in reducing seizure frequency and improving the quality of life for individuals with epilepsy, several factors hinder their widespread adoption across Latin America. Specific challenges in the region have been discussed but not formally studied. Currently, no data exist on the availability and operation of KDT teams in the region. To address this gap, we conducted a survey of KDT centers across Latin American countries in the framework of the biannual International Ketogenic Diet Conference in September 2023.MethodsA seven‐question survey was distributed via email to neurologists, dietitians, or through indexed publications.ResultsOf the 16 centers approached, 14 (87.5%) responded, identifying 98 KDT centers. Nearly half (49%) are public institutions, primarily in Brazil, Chile, and Mexico; 44 are private; and 5 are mixed. Core teams in all centers included a neurologist and dietitian, with some teams in Argentina, Chile, and Paraguay also involving a medical nutritionist. None of the centers reported a protocol for transitioning to adult care, and consistent data on Glut1 patients and protocols were lacking.SignificanceOver the past two decades, the KDT landscape in Latin America has improved, with established centers expanding and new ones emerging. However, continued efforts are needed to promote KDT adoption in countries where it is not yet practiced and in regions with limited resources and expertise.
Preventing epileptogenesis by interaction between inositol isomers and proteins
Authors: Tsverava Lia , Kharkhelauri Luka , Lagani Vincenzo , Gamkrelidze Giorgi , Bokuchava Veriko , Kiguradze Tamar , Kokaia Merab , Solomonia Revaz 
Published: December 2024

AbstractObjectiveInositols play significant roles in biological systems. Myo‐inositol (MI), the most prevalent isomer, functions as an osmolyte and mediates cell signal transduction. Other notable isomers include Scyllo‐inositol (SCI) and D‐Chiro‐inositol (DCHI). Our previous investigations have highlighted MI's potential antiepileptogenic effects, although its exact mechanisms of action during epileptogenesis remain unclear. A critical, unexplored area is how inositols interact with proteins. Additionally, the antiepileptogenic capabilities of SCI and DCHI have yet to be determined. This study seeks to address these gaps.MethodsInositol interacting proteins were identified by cellular thermal shift assay. Status epilepticus (SE) in rats was induced using kainic acid (KA), followed by a 28‐day treatment with either MI, SCI, DCHI, or saline. The duration and frequencies of behavioral spontaneous recurrent seizures (SRS) were scored for 8 weeks by 24 h video monitoring system. The effects of inositol treatment on spatial learning and memory deficits associated with epileptogenesis were evaluated by Morris water maze test. The changes in protein amounts were studied by Western immunoblotting.ResultsWe identified several proteins that interact with inositols, noting both commonalities and isomer‐specific associations. For the first time, we demonstrated that the treatment with SCI and DCHI, alongside MI, significantly reduces the frequency and duration of behavioral SRS in a KA‐induced post‐status epilepsy model in rats. This reduction persisted for 4 weeks post‐treatment. Moreover, all three inositol isomers mitigated spatial learning and memory deficits associated with epileptogenesis. Alterations in the inositol interacting proteins: alpha synuclein and 14‐3‐3 theta were further examined 8 weeks post‐SE in the hippocampus and neocortex of rats.SignificanceMyo‐inositol, SCI and DCHI interact with a number of proteins involved in different biological pathways. All studied inositol isomers express long‐term beneficial effects on KA‐induced SRS and the associated comorbidities. Inositols can be successfully used in the future for translational research.Plain Language SummaryEpilepsy is a common neurological disorder characterized by spontaneous recurrent seizures and a range of associated comorbidities. The process that leads to the development of epilepsy is called epileptogenesis, and currently, no medication can effectively prevent it. Our study investigated the effects of a group of compounds—myo‐inositol, scyllo‐inositol, and D‐chiro‐inositol—that have potential antiepileptogenic properties on epilepsy induced by kainic acid. We found that: (i) the three inositol isomers share some common target proteins and also have unique ones and (ii) all of them counteract epileptogenesis and the related cognitive impairments.
Comparative Analysis of Flavour Profile and Aroma Components of Shanxi Aged Vinegar From China
Authors: Wang Yuqian , Wang Junyi , Sun Linjia , Zhang Jihang , Zhang Ning 
Published: December 2024

ABSTRACTShanxi aged vinegar (SAV) is a traditional vinegar produced mainly in southern China from rice and wheat, undergoing prolonged fermentation for maturation, which distinguishes it from other vinegar. To explore its flavour, a selection of 12 SAV varieties was meticulously chosen for in‐depth aroma analysis. Sensory analysis and electronic nose (E‐nose) were used to compare flavour profiles. Volatile components were extracted via liquid–liquid extraction (LLE) with solvent‐assisted flavour evaporation (SAFE), analysed by gas chromatography–mass spectrometry (GC–MS) and gas chromatography olfactometry‐mass spectrometry (GC‐O‐MS). The results revealed 145 volatile compounds, predominantly acids, alcohols, ketones and heterocycles, with acids as the most prevalent (ranging from 960.17 to 1231.78 μg/mL). Additionally, 90 aroma‐active compounds were identified, notably acetic acid, furfuryl alcohol, 2,3‐dimethylpyrazine, lactic acid, phenol, propyl acetate, ethyl propionate and 2(5H)‐furanone. Accordingly, a flavour wheel was constructed highlighting dominant volatile components, featuring acidic, alcohol, tangerine peel‐like and yeasty aromas. Partial least squares regression (PLSR) analysis showed that the acidity note in SAV positively correlates with acetic acid, isovaleric acid, hexanoic acid, phenethyl alcohol and butyric acid. Understanding the flavour composition of SAV provides vital insight for flavour research and product quality control.
The Effects of Adding Probiotic, Alone and in Combination With Zinc, to Routine Treatment on Recurrence of Hepatic Encephalopathy, Quality of Life, and Sleep Quality in Patients With Cirrhosis: An Open‐Label Randomized Controlled Trial
Authors: Amooyi Leila , Alizadeh Leila , Sarbakhsh Parvin , Shojaei‐Zarghani Sara , Gharekhani Afshin 
Published: December 2024

ABSTRACTOvert hepatic encephalopathy (OHE) is a common complication of decompensated cirrhosis. This study aimed to assess the effects of probiotic, alone and in combination with zinc, on OHE recurrence, Model for End‐stage Liver Disease (MELD) score, ammonia level, health‐related quality of life (HRQoL), and sleep quality in patients with cirrhosis. We performed an open‐label randomized controlled trial on patients with decompensated cirrhosis with a previous history of OHE. Eligible patients (n = 45) were divided randomly into three equal groups to receive 30–45 mL lactulose syrup (2–4 times/day), lactulose and probiotic (4.5 × 1011 CFU of bacteria, 2 times/day), or a combination of lactulose, probiotic, and zinc (25 mg) for 3 months. In this study, probiotic, alone or in combination with zinc, had no effect on OHE recurrence, ammonia levels, and MELD score. Mental aspects and total score of HRQoL were improved following probiotic and its combination with zinc, even after adjustment for baseline values, age, and sex. However, physical aspects of HRQoL and sleep quality were only improved by probiotic and zinc combination compared to the lactulose alone. Our findings showed improved HRQoL after treatment with probiotic, alone or in combination with zinc. However, sleep quality was influenced only by probiotic and zinc combination.Trail Registration: This study has been registered in the Iranian registry of clinical trials (IRCT20170609034406N9).
Profiling Social Detachment in Older People in Taiwan: A Cluster Analysis
Authors: Tu Chao‐Ying , Wu Chi‐Shin , Yen Chia‐Ming , Chang Hung‐Yeh , Yu Chih‐Yuan , Chang Kai‐Chieh , Chen Hsin‐Shui , Chang Chin‐Kai , Hwang Juey‐Jen , Huang Su‐Hua , Chen Yung‐Ming , Cheng Bor‐Wen , Weng Min‐Hsiu , Hsu Chih‐Cheng , Huang Wei‐Lieh 
Published: December 2024

ABSTRACTObjectivesThe Social Detachment Questionnaire for the Older Population (SDQO) is a validated tool that assesses various dimensions of social relationships. This study aimed to profile social detachment among older people in Taiwan using the SDQO and explore its use in distinguishing groups with varying levels of social engagement.MethodsA telephone‐based survey was conducted, collecting demographic data and responses to the SDQO and Brief Symptom Rating Scale‐5 (BSRS‐5). Cluster analysis based on SDQO dimension scores was performed to identify groupings. Regression analyses examined the association between social engagement clusters, demographic variables, and BSRS‐5 scores. A receiver operating characteristic curve was established and the area under the curve was calculated to identify the cutoff for distinguishing individuals with high and low social engagement.ResultsIn a representative sample of 2549 individuals aged 55 and above in Taiwan, cluster analysis identified two groups based on social engagement levels as measured by the SDQO. The low social engagement cluster, indicating higher social detachment, was more likely to consist of older individuals (≥ 75 years), those without children, and those with lower education levels (≤ 9 years). After adjusting for demographics, the low social engagement cluster was associated with higher BSRS‐5 scores. The optimal SDQO cutoff for identifying low social engagement was 27/28.ConclusionsThe SDQO can identify socially detached older people, who are more likely to experience increased psychological distress. Screening older individuals with demographic risk factors using the SDQO could help identify those most vulnerable to adverse health outcomes related to social detachment.
Comparing Outcomes Between CPX‐351 and Fludarabine‐Based Induction in Secondary Acute Myeloid Leukemia in the Real‐World Setting: The Prognostic Role of Measurable Residual Disease
Authors: Riva Carola , Minetto Paola , Chies Maria , Vernarecci Chiara , Colombo Nicoletta , Rosellini Sara , Parodi Alessia , Tedone Elisabetta , Carminati Enrico , Nurra Clara , Puglisi Francesco , Frello Michela , Maio Elena , Ferro Beatrice , Zecchetti Giada , Fugazza Giuseppina , Nozza Paolo , Cea Michele , Lemoli Roberto Massimo , Guolo Fabio 
Published: December 2024

ABSTRACTSecondary acute myeloid leukemia (s‐AML) is associated with inferior outcomes with conventional chemotherapy, and fludarabine combinations (FLAG‐Ida) have been tested to improve results. More recently, CPX‐351 resulted superior to conventional 3 + 7 in s‐AML patients. In the UK NCRI AML19 trial, AML patients were randomized to receive either FLAG‐Ida or CPX‐351. Subgroup analysis revealed better overall survival (OS) with CPX‐351 in patients with MDS‐related gene mutations. Unfortunately, minimal residual disease (MRD) was evaluated only in a minority of patients. The aim of this study was to further disclose the mechanisms of higher efficacy of CPX‐351 in s‐AML, with a focus on MRD. We analyzed 183 consecutive s‐AML elderly patients (median age 69, range 60–77) treated with CPX‐351 (n = 82) or receiving FLAG‐Ida (n = 101). Complete remission (CR) rate and MRD negativity probability were higher among patients receiving CPX‐351 (MRD negative CR rate of 40/64, 62.5%, compared to 25/55, 45% in patients who received FLAG‐Ida, p < 0.05). Extra‐hematological toxicity was lower in CPX‐351 arm, and 30 days mortality was 3.6% and 8% in patients receiving CPX‐351 or FLAG‐Ida, respectively. Notably, 21/64 (32.8%) CR patients treated with CPX 351 underwent allogeneic stem cell transplantation (HSCT), compared to 5/55 with FLAG‐Ida (9%, p < 0.05). Overall, CPX‐351 treatment resulted in higher OS (median OS 17.7 vs. 11.2 months with FLAG‐Ida, p < 0.05). The better outcome of CPX‐351 compared to FLAG‐Ida in our cohort may be explained by a greater probability of MRD negativity, alongside with an improved tolerance, enabling more s‐AML patients to undergo HSCT.