bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhancing Compatibility of Two‐Step Tandem Catalytic Nitrate Reduction to Ammonia Over P‐Cu/Co(OH)2
Authors: Yan Qiuyu , Zhao Rundong , Yu Lihong , Zhao Zongyan , Liu Le , Xi Jingyu 
Published: September 2024

AbstractElectrochemical nitrate reduction reaction (NO3RR) is a promising approach to realize ammonia generation and wastewater treatment. However, the transformation from NO3− to NH3 involves multiple proton‐coupled electron transfer processes and by‐products (NO2−, H2, etc.), making high ammonia selectivity a challenge. Herein, a two‐phase nanoflower P‐Cu/Co(OH)2 electrocatalyst consisting of P‐Cu clusters and P‐Co(OH)2 nanosheets is designed to match the two‐step tandem process (NO3− to NO2− and NO2− to NH3) more compatible, avoiding excessive NO2− accumulation and optimizing the whole tandem reaction. Focusing on the initial 2e− process, the inhibited *NO2 desorption on Cu sites in P‐Cu gives rise to the more appropriate NO2− released in electrolyte. Subsequently, P‐Co(OH)2 exhibits a superior capacity for trapping and transforming the desorbed NO2− during the latter 6e− process due to the thermodynamic advantage and contributions of active hydrogen. In 1 m KOH + 0.1 m NO3−, P‐Cu/Co(OH)2 leads to superior NH3 yield rate of 42.63 mg h−1 cm−2 and NH3 Faradaic efficiency of 97.04% at −0.4 V versus the reversible hydrogen electrode. Such a well‐matched two‐step process achieves remarkable NH3 synthesis performance from the perspective of optimizing the tandem catalytic reaction, offering a novel guideline for the design of NO3RR electrocatalysts.
Pushing Theoretical Potassium Storage Limits of MXenes through Introducing New Carbon Active Sites
Authors: Cao Xin , Liu Yuchun , Xia Huan , Li Yuhuan , Yang Li , Wang Hang , Zhang Hongjun , Ye Bangjiao , He Wei , Wei Tianchen , Xin Zhaorui , Lu Chengjie , Zhou Min , Sun ZhengMing 
Published: September 2024

AbstractSurface‐driven capacitive storage enhances rate performance and cyclability, thereby improving the efficacy of high‐power electrode materials and fast‐charging batteries. Conventional defect engineering, widely‐employed capacitive storage optimization strategy, primarily focuses on the influence of defects themselves on capacitive behaviors. However, the role of local environment surrounding defects, which significantly affects surface properties, remains largely unexplored for lack of suitable material platform and has long been neglected. As proof‐of‐concept, typical Ti3C2Tx MXenes are chosen as model materials owing to metallic conductivity and tunable surface properties, satisfying the requirements for capacitive‐type electrodes. Using density functional theory (DFT) calculations, the potential of MXenes with modulated local atomic environment is anticipated and introducing new carbon sites found near pores can activate electrochemically inert surface, attaining record theoretical potassium storage capacities of MXenes (291 mAh g−1). This supposition is realized through atomic tailoring via chemical scissor within sublayers, exposing new sp3‐hybridized carbon active sites. The resulting MXenes demonstrate unprecedented rate performance and cycling stability. Notably, MXenes with higher carbon exposure exhibit a record‐breaking capacity over 200 mAh g−1 and sustain a capacity retention higher than 80% after 20 months. These findings underscore the effectiveness of regulating defects' neighboring environment and illuminate future high‐performance electrode design.
Resonantly Enhanced Infrared Up‐Conversion in Double‐Step Asymmetric Subwavelength Grating Structure
Authors: Anitha Kumari Sreekantan Nair Lal Krishna , Konkada Manattayil Jyothsna , Deka Jayanta , Biswas Rabindra , Raghunathan Varun 
Published: September 2024

AbstractThe design and experimental demonstration of double‐step, 1D amorphous germanium grating structures supporting quasi bound‐states‐in‐continuum (quasi‐BIC) resonance at 3.2 µm wavelength and its application to third‐order sum‐frequency generation‐based up‐conversion are reported. Linear transmission measurements on the fabricated metasurface with loosely focussed excitation spanning 0–3° angles show very good agreement with ideal plane‐wave excitation of the periodic photonic structure. TSFG measurements performed on the same structures with tightly focusing mid‐infrared signal and pump beams using a reflective‐type objective with 15–40° angular excitation show ≈375 times enhancement with significant blue‐shift in the resonance feature by ≈300 nm. To understand this excitation angle dependence of the resonance characteristics, a generalized plane‐wave expansion (PWE) model is developed by considering varying excitation angle plane‐waves incident on the metasurface with a discretized angular spectrum representation used to coherently combine the resultant electric and magnetic fields to obtain the linear transmission characteristics and nonlinear TSFG spectra. The PWE method is found to be particularly effective in modeling linear and nonlinear responses under realistic illumination conditions while ensuring optimal utilization of computational resources. Good agreement is obtained between the PWE simulations, linear transmission, and nonlinear TSFG measurements by considering appropriate angular excitation.
Surface Defects Passivation of ZnSeTe/ZnSe/ZnS Quantum Dots by Iodine Ions for Highly Efficient Blue Light‐Emitting Diodes
Authors: Guan Zhongyuan , Huang Yang , Wang Zhaojin , Sun Jiayun , Shan Chengwei , Xu Yiguo , Wu Dan , Tang Aiwei , Sun Xiao Wei , Wang Kai 
Published: September 2024

AbstractThe development of cadmium‐free blue quantum dots (QDs) is of paramount importance to the display industry. In this study, high‐quality ZnSeTe/ZnSe/ZnS blue QDs, followed by surface treatment with ZnI2 are initially synthesized. The introduction of ZnI2 passivated the surface defects, resulting in an increase in the fluorescence quantum yield. The time‐resolved photoluminescence (TRPL) demonstrates a significant inhibition of non‐radiative recombination associated with the surface defect state. The density functional theory (DFT) calculation reveals that the binding energy between iodine ions and zinc ions is higher than that between oleate ions and zinc ions, providing a theoretical basis for the effective passivation of the suspended bonds of zinc ions on QDs' surface by iodine ions. Moreover, quantum dot light‐emitting diodes (QLEDs) are fabricated and UV photoelectron spectra (UPS) indicate the hole injection barrier between the hole transport layer and QDs decreases 0.12 eV after QDs being treated by ZnI2, facilitating hole injection. Finally, The ZnI2‐treated QLED demonstrates a 1.57‐fold and 1.82‐fold improvement in Lmax and EQEmax, respectively, reaching 6370 cd m−2 and 9.1%, compared to the pristine QLED. The work serves as a valuable reference for enhancing the performance of cadmium‐free blue QLED.
Targeting Glioblastoma Tumor Hyaluronan to Enhance Therapeutic Interventions that Regulate Metabolic Cell Properties
Authors: Neves Edward R , Anand Achal , Mueller Joseph , Remy Roddel A , Xu Hui , Selting Kim A , Sarkaria Jann N , Harley Brendan AC , Pedron‐Haba Sara 
Published: September 2024

AbstractDespite extensive advances in cancer research, glioblastoma (GBM) still remains a very locally invasive and thus challenging tumor to treat, with a poor median survival. Tumor cells remodel their microenvironment and utilize extracellular matrix to promote invasion and therapeutic resistance. It is aimed here to determine how GBM cells exploit hyaluronan (HA) to maintain proliferation using ligand‐receptor dependent and ligand‐receptor independent signaling. Tissue engineering approaches are used to recreate the 3D tumor microenvironment in vitro, then analyze shifts in metabolism, hyaluronan secretion, HA molecular weight distribution, as well as hyaluronan synthetic enzymes (HAS) and hyaluronidases (HYAL) activity in an array of patient‐derived xenograft GBM cells. It is revealed that endogenous HA plays a role in mitochondrial respiration and cell proliferation in a tumor subtype‐dependent manner. A tumor‐specific combination treatment of HYAL and HAS inhibitors is proposed to disrupt the HA stabilizing role in GBM cells. Taken together, these data shed light on the dual metabolic and ligand – dependent signaling roles of hyaluronan in glioblastoma.
Disrupted Human–Dog Interbrain Neural Coupling in Autism‐Associated Shank3 Mutant Dogs
Authors: Ren Wei , Yu Shan , Guo Kun , Lu Chunming , Zhang Yong Q. 
Published: September 2024

AbstractDogs interact with humans effectively and intimately. However, the neural underpinnings for such interspecies social communication are not understood. It is known that interbrain activity coupling, i.e., the synchronization of neural activity between individuals, represents the neural basis of social interactions. Here, previously unknown cross‐species interbrain activity coupling in interacting human–dog dyads is reported. By analyzing electroencephalography signals from both dogs and humans, it is found that mutual gaze and petting induce interbrain synchronization in the frontal and parietal regions of the human–dog dyads, respectively. The strength of the synchronization increases with growing familiarity of the human–dog dyad over five days, and the information flow analysis suggests that the human is the leader while the dog is the follower during human–dog interactions. Furthermore, dogs with Shank3 mutations, which represent a promising complementary animal model of autism spectrum disorders (ASD), show a loss of interbrain coupling and reduced attention during human–dog interactions. Such abnormalities are rescued by the psychedelic lysergic acid diethylamide (LSD). The results reveal previously unknown interbrain synchronizations within an interacting human–dog dyad which may underlie the interspecies communication, and suggest a potential of LSD for the amelioration of social impairment in patients with ASD.
A Multi‐Functional Nanoadjuvant Coupling Manganese with Toll‐Like 9 Agonist Stimulates Potent Innate and Adaptive Anti‐Tumor Immunity
Authors: Liu Zhongjie , Li Shu , Xiao Yang , Liu Xiaoyang , Zhang Bin , Zeng Qin , Ao Qiang , Zhang Xingdong 
Published: September 2024

AbstractThe effectiveness of Toll‐like 9 agonists (CpG) as an adjuvant for tumor immunotherapy is restricted due to their insufficient ability to activate anti‐tumor immunity. To address that, the common nutrient metal ions are explored (Mn2+, Cu2+, Ca2+, Mg2+, Zn2+, Fe3+, and Al3+), identifying Mn2+ as a key enhancer of CpG to mediate immune activation by augmenting the STING‐NF‐κB pathway. Mn2+ and CpG are then self‐assembled with epigallocatechin gallate (EGCG) into a nanoadjuvant MPN/CpG. Local delivery of MPN/CpG effectively inhibits tumor growth in a B16 melanoma‐bearing mouse model, reshaping the tumor microenvironment (TME) by repolarizing M2‐type tumor‐associated macrophages (TAMs) to an M1‐type and boosting intra‐tumoral infiltration of CD8+/CD4+ T lymphocytes and DCs. Furthermore, compared to free CpG, MPN/CpG exhibits heightened accumulation in lymph nodes, enhancing CpG uptake and DC activation, consequently inducing significant antigen‐specific cytotoxic CD8+ T cell immune response and humoral immunity. In a prophylactic tumor‐bearing mouse model, MPN/CpG vaccination with OVA antigen significantly delays B16‐OVA melanoma growth and extends mouse survival. These findings underscore the potential of MPN/CpG as a multifunctional adjuvant platform to drive powerful innate and adaptive immunity and regulate TME against tumors.
Energy Landscape Reveals the Underlying Mechanism of Cancer‐Adipose Conversion in Gene Network Models
Authors: Chen Zihao , Lu Jia , Zhao Xing‐Ming , Yu Haiyang , Li Chunhe 
Published: September 2024

AbstractCancer is a systemic heterogeneous disease involving complex molecular networks. Tumor formation involves an epithelial‐mesenchymal transition (EMT), which promotes both metastasis and plasticity of cancer cells. Recent experiments have proposed that cancer cells can be transformed into adipocytes via a combination of drugs. However, the underlying mechanisms for how these drugs work, from a molecular network perspective, remain elusive. To reveal the mechanism of cancer‐adipose conversion (CAC), this study adopts a systems biology approach by combing mathematical modeling and molecular experiments, based on underlying molecular regulatory networks. Four types of attractors are identified, corresponding to epithelial (E), mesenchymal (M), adipose (A) and partial/intermediate EMT (P) cell states on the CAC landscape. Landscape and transition path results illustrate that intermediate states play critical roles in the cancer to adipose transition. Through a landscape control approach, two new therapeutic strategies for drug combinations are identified, that promote CAC. These predictions are verified by molecular experiments in different cell lines. The combined computational and experimental approach provides a powerful tool to explore molecular mechanisms for cell fate transitions in cancer networks. The results reveal underlying mechanisms of intermediate cell states that govern the CAC, and identified new potential drug combinations to induce cancer adipogenesis.
Remarkable Active Site Utilization in Edge‐Hosted‐N Doped Carbocatalysts for Fenton‐Like Reaction
Authors: Zhong Huajie , Gong Zeyu , Yu Jiaxing , Hou Yu , Tao Yuan , Fu Qi , Yang Huangsheng , Xiao Xinzhe , Cao Xingzhong , Wang Junhui , Ouyang Gangfeng 
Published: September 2024

AbstractImproving the utilization of active sites in carbon catalysts is significant for various catalytic reactions, but still challenging, mainly due to the lack of strategies for controllable introduction of active dopants. Herein, a novel “Ar plasma etching‐NH3 annealing” strategy is developed to regulate the position of active N sites, while maintaining the same nitrogen species and contents. Theoretical and experimental results reveal that the edge‐hosted‐N doped carbon nanotubes (E‐N‐CNT), with only 0.29 at.% N content, show great affinity to peroxymonosulfate (PMS), and exhibit excellent Fenton‐like activity by generating singlet oxygen (1O2), which can reach as high as 410 times higher than the pristine CNT. The remarkable utilization of edge‐hosted nitrogen atom is further verified by the edge‐hosted‐N enriched carbocatalyst, which shows superior capability for 4‐chlorophenol degradation with a turnover frequency (TOF) value as high as 3.82 min−1, and the impressive TOF value can even surpass those of single‐atom catalysts. This work proposes a controllable position regulation of active sites to improve atom utilization, which provides a new insight into the design of excellent Fenton‐like catalysts with remarkable atom utilization efficiency.
Loss‐of‐Function Variant in PPP1R12A‐Related Urogenital and/or Brain Malformation Syndrome: Expanded Phenotype of Sex Reversal
Authors: Contreras‐Capetillo Silvina Noemí , Abreu‐González Melania , Centeno‐Navarrete Yahir , Ferro‐Muñoz Stephany Renatta , Ceballos‐Zapata Julio , García‐Martínez Cesiah 
Published: September 2024

ABSTRACTDifferences of sex development (DSDs) are a heterogeneous group of congenital conditions in which chromosomal, gonadal, or anatomical sex does not match. The broad spectrum of phenotypes associated with DSDs requires accurate diagnosis, which influences the care and quality of life of affected patients. The decreasing costs of next‐generation sequencing (NGS) and international research collaborations in rare diseases have allowed the identification of new genes associated with DSDs. Recently, Hughes et al. in 2020 reported the association of loss‐of‐function (LoF) variants in PPP1R12A with morphological anomalies of the midline, including holoprosencephaly and urogenital malformations, also known as genitourinary and/or brain malformation syndrome (OMIM #618820). In this report, we describe a Mexican individual with hypertelorism, multiple skin hemangiomas, testicular atrophy, and sex reversal, in whom a c.1880delC frameshift variant in PPP1R12A was detected by exome sequencing. Segregation analysis confirmed it as a de novo variant through Sanger sequencing. The main objective of this report is to expand PPP1R12A‐related urogenital and/or brain malformation syndrome.
Parent Narratives Provide Perspectives on the Experience of Care in Trisomy 18
Authors: Bierer Ryann , Mladucky Janessa , Anderson Rebecca , Carey John C. 
Published: September 2024

ABSTRACTTrisomy 18 syndrome, also known as Edwards syndrome, is the second most common autosomal chromosome syndrome after Down syndrome. Trisomy 18 is a serious medical disorder due to the increased occurrence of structural defects, the high neonatal and infant mortality, and the disabilities observed in older children. Interventions, including cardiac surgery, remain controversial, and the traditional approach is to pursue pure comfort care. While the medical challenges have been well‐characterized, there are scant data on the parental views and perspective of the lived experience of rearing a child with trisomy 18. Knowledge of the parental viewpoints can help clinicians guide families through decision‐making. Our aim was to identify parents' perspectives by analyzing a series of narratives. In this qualitative study, we collected 46 parent narratives at the 2015 and 2016 conferences of the Support Organization for Trisomy 18 & 13 (SOFT). The participants were asked to “Tell us a story about your experience.” Inductive content analysis and close reading were used to identify themes from the stories. Dedoose, a web‐based application to analyze qualitative data, was used to code themes more systematically. Of the identified themes, the most common included Impact of trisomy 18 diagnosis and Surpassing expectations. Other themes included Support from professionals, A child, not a diagnosis, and Trust/lack of trust. We examined the voice and the perspectives of the parents in their challenges in caring for their children with this life‐limiting condition. The exploration of the themes can ideally guide clinicians in their approach to the counseling and care of the child in a shared decision‐making approach.
Overview of ADNI MRI
Authors: Jack Clifford R. , Arani Arvin , Borowski Bret J. , Cash Dave M. , Crawford Karen , Das Sandhitsu R. , DeCarli Charles , Fletcher Evan , Fox Nick C. , Gunter Jeffrey L. , Ittyerah Ranjit , Harvey Danielle J. , Jahanshad Neda , Maillard Pauline , Malone Ian B. , Nir Talia M. , Reid Robert I. , Reyes Denise A. , Schwarz Christopher G. , Senjem Matthew L. , Thomas David L. , Thompson Paul M. , Tosun Duygu , Yushkevich Paul A. , Ward Chadwick P. , Weiner Michael W. ,   Alzheimer's Disease Neuroimaging Initiative
Published: September 2024

AbstractThe magnetic resonance imaging (MRI) Core has been operating since Alzheimer's Disease Neuroimaging Initiative's (ADNI) inception, providing 20 years of data including reliable, multi‐platform standardized protocols, carefully curated image data, and quantitative measures provided by expert investigators. The overarching purposes of the MRI Core include: (1) optimizing and standardizing MRI acquisition methods, which have been adopted by many multicenter studies and trials worldwide and (2) providing curated images and numeric summary values from relevant MRI sequences/contrasts to the scientific community. Over time, ADNI MRI has become increasingly complex. To remain technically current, the ADNI MRI protocol has changed substantially over the past two decades. The ADNI 4 protocol contains nine different imaging types (e.g., three dimensional [3D] T1‐weighted and fluid‐attenuated inversion recovery [FLAIR]). Our view is that the ADNI MRI data are a greatly underutilized resource. The purpose of this paper is to educate the scientific community on ADNI MRI methods and content to promote greater awareness, accessibility, and use.Highlights
The MRI Core provides multi‐platform standardized protocols, carefully curated image data, and quantitative analysis by expert groups.
The ADNI MRI protocol has undergone major changes over the past two decades to remain technically current.
As of April 25, 2024, the following numbers of image series are available: 17,141 3D T1w; 6877 FLAIR; 3140 T2/PD; 6623 GRE; 3237 dMRI; 2846 ASL; 2968 TF‐fMRI; and 2861 HighResHippo (see Table 1 for abbreviations).
As of April 25, 2024, the following numbers of quantitative analyses are available: FreeSurfer 10,997; BSI 6120; tensor based morphometry (TBM) and TBM‐SYN 12,019; WMH 9944; dMRI 1913; ASL 925; TF‐fMRI NFQ 2992; and medial temporal subregion volumes 2726 (see Table 4 for abbreviations).
ADNI MRI is an underutilized resource that could be more useful to the research community.
Predicting CDR status over 36 months with a recall‐based digital cognitive biomarker
Authors: Bruno Davide , Jauregi‐Zinkunegi Ainara , Bock Jason R. ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: September 2024

AbstractINTRODUCTIONWord‐list recall tests are routinely used for cognitive assessment, and process scoring may improve their accuracy. We examined whether Alzheimer's Disease Assessment Scale–Cognitive subscale (ADAS‐Cog) derived, process‐based digital cognitive biomarkers (DCBs) at baseline predicted Clinical Dementia Rating (CDR) longitudinally and compared them to standard metrics.METHODSAnalyses were performed with Alzheimer's Disease Neuroimaging Initiative (ADNI) data from 330 participants (mean age = 71.4 ± 7.2). We conducted regression analyses predicting CDR at 36 months, controlling for demographics and genetic risk, with ADAS‐Cog traditional scores and DCBs as predictors.RESULTSThe best predictor of CDR at 36 months was M, a DCB reflecting recall ability (area under the curve = 0.84), outperforming traditional scores. Diagnostic results suggest that M may be particularly useful to identify individuals who are unlikely to decline.DISCUSSIONThese results suggest that M outperforms ADAS‐Cog traditional metrics and supports process scoring for word‐list recall tests. More research is needed to determine further applicability with other tests and populations.Highlights
Process scoring and latent modeling were more effective than traditional scoring.
Latent recall ability (M) was the best predictor of Clinical Dementia Rating decline at 36 months.
The top digital cognitive biomarker model had odds ≈ 90 times greater than the top Alzheimer's Disease Assessment Scale–Cognitive subscale model.
Particularly high negative predictive value supports literature on cognitive testing as a useful screen.
Consideration of both cognitive and pathological outcomes is needed.
Direct reinfusion of pericardial blood complications: A case of acute respiratory distress syndrome and disseminated intravascular coagulation
Authors: Yasuda Takuto , Satoh Kasumi , Hirasawa Nobuhisa , Okuyama Manabu , Nakae Hajime 
Published: September 2024

AbstractBackgroundDirect reinfusion of pericardial blood during cardiac surgery triggers a systemic inflammatory response. Although various inflammatory mediators have been identified as triggers, the role of damage‐associated molecular patterns (DAMPs) remains poorly understood. Despite guidelines recommending against this practice owing to its harmful effects, it is sometimes used in emergencies.Case PresentationA 72‐year‐old man with atrial fibrillation and cerebral infarction developed cardiac tamponade during catheter ablation. He underwent pericardial drainage and direct blood reinfusion. He was transferred to our ICU, where he developed acute respiratory distress syndrome (ARDS) and disseminated intravascular coagulation (DIC). Despite aggressive management, the patient died 41 days after admission.ConclusionThis case highlights severe adverse events following direct reinfusion of pericardial blood. These findings suggest a significant role for DAMPs in mediating these inflammatory responses. Direct reinfusion of pericardial drainage blood should be avoided during emergencies to prevent life‐threatening complications.