bluuebunny/crossref_metadata_2025_split huggingface dataset:
Restoring the Crystal Structure of Single-Crystalline High Ni Ncm with Synthetic Heat Treatment Profile Control
Authors: Kim Juseong , Hong Kijoo , Jung Yongjo , Lee Jiho , Kim Yong Il , Lee Sunhwa , Nam Sang Cheol 
Published: September 2023

Single-crystalline high Ni NCM is regarded as a next generation cathode candidate for high-energy lithium ion batteries with great potential due to its advanced crystal structural and chemical stability. The synthesis of single-crystalline high Ni NCM was studied using in-operando heating XRD.
The change of the crystal structure of single-crystalline NCM was observed while raising the synthesis temperature. The synthesis was carried out in two steps, with the first step at 860 degrees to form the phase and grow the particle size, and the second step around 740 degrees to recover the collapsed structure by the first heat treatment. XRD data and Rietveld refinement results showed that the half width of (104) peak decreased over time in each step, but tended to increase as it moved from 1st step to 2nd step. In addition, it was confirmed that Li/Ni cation mixing maintained a high value at the 1st step but then steadily decreased at the 2nd step, which means relatively low temperature heat treatment is effective to recover crystal structural anti-site defects. To evaluate the electrochemical properties of structural restoration, coin half cell characteristics were evaluated. It was showed that the longer time of 2nd step of the heat treatment, the higher efficiency and capacity due to structural recovery.
Overall, this study provides insights into the synthesis of single-crystalline high Ni NCM and their crystal structure changes under real-time heating. This findings highlight the importance of the two-step synthesis process and the role of relatively low temperature of 2nd step heat treatment that can reduce Li/Ni cation mixing through structural recovery.
Ion Transport in Polymer/Inorganic Composite Electrolytes – a Comparison between Broadband Dielectric Spectroscopy and Impedance Spectroscopy
Authors: Ock Jiyoung , Rahman Anisur , Gainaru Catalin , Sokolov Alexei , Chen Xi 
Published: September 2023

Significant efforts have been made to develop composite electrolytes combining polymer matrix with Li-ion conducting inorganic solids for feasible construction of solid-state batteries. However, the Li-ion transfer kinetics at the interface between polymer/inorganic electrolyte is unfavorable for Li-ion conduction in the composite electrolyte because of the interfacial resistance and the activation energy barrier for interfacial Li-ion transfer. The activation energy barrier for the Li-ion transfer reaction at the interface is correlated with the interaction between Li-ion and polymer matrix in the polymer electrolyte, interaction between Li-ion and anions in inorganic electrolytes and the interaction between polymer and inorganic electrolytes, therefore, the electrolyte composition significantly affects the interfacial charge transfer kinetics in composites.
In this work, Li-ion transport properties in the composite electrolytes are investigated by using broadband dielectric spectroscopy (BDS) and impedance spectroscopy (IS). We particularly focus on Li-ion charge transfer at the polymer/inorganic interface from the dual ion conducting polymer to the single ion conducting polymer electrolytes with different Li-ion conducting salts such as LiN(SO2CF3)2 (LiTFSI) and (LiMTFSI) in vinyl ethylene carbonate (VEC) or polymerized vinyl ethylene carbonate (PVEC). The interfacial resistances of inorganic electrolytes Li0.34La0.56TiO3 (LLTO) in polymer electrolytes are elucidated. To further evaluate the polymer/inorganic electrolyte interfaces, various types of cell are assembled in a glove box filled with argon gas and characterized by a series of techniques such as BDS and IS. The Li-ion transfer kinetics at the interface significantly affects the Li-ion flux through the composite electrolytes and will be presented. In addition, we will present a systematic comparison between BDS and IS results in order to build connections between the two communities.

Acknowledgements

This work was supported as part of the Fast and Cooperative Ion Transport in Polymer-Based Materials (FaCT), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences at Oak Ridge National Laboratory under contract DE-AC05-00OR22725.
Heteroatom Incorporated Carbon Materials by Molten-State Synthesis
Authors: Tzadikov Jonathan , Shalom Menny 
Published: September 2023

The insertion of heteroatoms with different electronegativity into a carbon network can significantly tune its electronic, optical, and electrochemical properties along with its chemical reactivity. The introduction of nitrogen and sulfur as electron donors or boron as an electron-withdrawing group into a carbon structure will alter its electronic states, (electro)catalytic properties, and chemical stability to oxidation and high temperatures. The traditional methods of synthesizing heteroatom-modified carbon matrices are carried out by solid-state reactions, chemical vapor deposition (CVD), and functionalization of the carbon materials. Although an impressively wide range of materials was synthesized by these methods, there are still some drawbacks that limit the progress in this field.
Herein we show a new, scalable, and easy way to synthesize heteroatom-incorporated carbon materials through a molten-state intermediate. The molten-state intermediate is achieved by using molten precursors, polycyclic aromatic hydrocarbons as carbon sources, and other molten precursors for the various heteroatoms, e.g., elemental sulfur or ammonia-borane complex (NH3BH3). Once heated above their melting point, these precursors form the molten-state intermediate, which induces strong covalent/coordination bonds between the heteroatoms and the sp2 carbon skeleton. This method enables the synthesis of BNCO, CS materials, and transition-metal-incorporated carbon/carbon-sulfur-oxide materials. The elemental composition is easily controlled within these materials (up to 30 wt.% boron, 20 wt.% sulfur, 30 wt.% nitrogen, while the transition metal ratio is kept within relevant materials), resulting in fine-tuning of the properties of the materials. These materials show promising performance towards electrochemical OER, Na-ion, and Li-ion batteries while illustrating the structure-activity relations.
Predicting Protein Corona Formation on Carbon Nanotubes
Authors: Landry Markita P 
Published: September 2023

Engineered nanoparticles are poised to transform sensing, imaging, and delivery in biological systems. In particular, single-walled carbon nanotubes (SWCNTs) are uniquely suited for biological sensing and imaging due to their tissue-transparent and photostable near-infrared fluorescence. SWCNTs have been functionalized with various biomolecules, including synthetic peptides and proteins, to construct fluorescence-based nanosensors. Optimizing these -nanoparticle interactions is key in enhancing nanotechnology function. Yet, functionalized SWCNTs and other nanotechnologies more broadly suffer from as-of-yet unpredictable interactions with the biological environments in which they are applied: when nanoparticles are introduced into biological systems, endogenous proteins rapidly bind and often lead to decreased ability of the nanoparticles to perform their intended functions. As such, testing compatibility and function of nanotechnologies in biological systems requires a heuristic approach, where this unpredictable protein corona formation often prevents effective implementation.
In this work, we develop a classifier that identifies proteins binding to nanotubes based solely on the protein’s amino acid sequence. We build and validate our classifier using mass spectrometry-based quantitative proteomic data that characterizes proteins bound to SWCNT-based nanosensors. Distribution changes among protein properties allow us to determine protein features associated with increased likelihood of SWCNT binding, including high content of solvent-exposed glycines and non-secondary structure-associated amino acids. Understanding these key protein features that drive protein-nanotube binding informs the design of physics-based modeling approaches of such interfacial nano-bio interactions. Lastly, we apply the classifier to rapidly identify candidate proteins with high binding affinity to SWCNTs and experimentally validate adsorption of these proteins with a kinetic exchange assay to evaluate the predictive power of our model. In sum, this classifier provides a step toward undertaking the otherwise intractable problem of predicting protein-nanoparticle interactions.
Relationship between Neutrophil-to-Lymphocyte Ratio, Platelet-to-Lymphocyte Ratio, and Hyperhomocysteinemia in Patients with Ischemic Stroke: A Proof-of-Concept Randomized Trial
Authors: Luo Bing , Wang Yun , Sun Minjie , Feng Mei , Zhu Wei , Xu Sufang 
Published: September 2023

Background. This study is aimed at investigating the relationship between neutrophil-to-lymphocyte ratio (NLR), platelet-to-lymphocyte ratio (PLR), and hyperhomocysteinemia (HHCY) in patients with ischemic stroke (IS). Methods. This study retrospectively analyzed the clinical data and laboratory results of 110 IS patients. According to the cut-off value of

HCY
=
15

μ
mol
/
L

, the included patients were divided into the normal HCY (NHCY,

n
=
69

) and the high HCY (HHCY,

n
=
41

) groups. The relationship between NLR, PLR, and HCY between these groups was then compared. Results. NLR and PLR levels in IS patients with HHCY were significantly higher than those in IS patients without HHCY (

P
<
0.05

). Correlation analysis showed that NLR and PLR were positively correlated with hs-CRP, RDW, N, L, and HCY (

P
<
0.05

). NLR and PLR were the largest predictors of IS-related HHCY, followed by WBC, hs-CRP, RDW, VLDL, and TG. Additionally, NLR and PLR were independent risk factors for IS-related HHCY. Conclusions. NLR and PLR may be fast, cheap, and easy-to-analyze biomarkers for predicting IS-related HHCY.
Exercise Training Reduces the Inflammatory Response and Promotes Intestinal Mucosa-Associated Immunity in Lynch Syndrome
Authors: Deng Nan , Reyes-Uribe Laura , Fahrmann Johannes F. , Thoman Whittney S. , Munsell Mark F. , Dennison Jennifer B. , Murage Eunice , Wu Ranran , Hawk Ernest T. , Thirumurthi Selvi , Lynch Patrick M. , Dieli-Conwright Christina M. , Lazar Alexander J. , Jindal Sonali , Chu Khoi , Chelvanambi Manoj , Basen-Engquist Karen , Li Yisheng , Wargo Jennifer A. , McAllister Florencia , Allison James P. , Sharma Padmanee , Sinha Krishna M. , Hanash Samir , Gilchrist Susan C. , Vilar Eduardo 
Published: September 2023

Abstract

Purpose:
Lynch syndrome (LS) is a hereditary condition with a high lifetime risk of colorectal and endometrial cancers. Exercise is a non-pharmacologic intervention to reduce cancer risk, though its impact on patients with LS has not been prospectively studied. Here, we evaluated the impact of a 12-month aerobic exercise cycling intervention in the biology of the immune system in LS carriers.

Patients and Methods:
To address this, we enrolled 21 patients with LS onto a non-randomized, sequential intervention assignation, clinical trial to assess the effect of a 12-month exercise program that included cycling classes 3 times weekly for 45 minutes versus usual care with a one-time exercise counseling session as control. We analyzed the effects of exercise on cardiorespiratory fitness, circulating, and colorectal-tissue biomarkers using metabolomics, gene expression by bulk mRNA sequencing, and spatial transcriptomics by NanoString GeoMx.

Results:
We observed a significant increase in oxygen consumption (VO2peak) as a primary outcome of the exercise and a decrease in inflammatory markers (prostaglandin E) in colon and blood as the secondary outcomes in the exercise versus usual care group. Gene expression profiling and spatial transcriptomics on available colon biopsies revealed an increase in the colonic mucosa levels of natural killer and CD8+ T cells in the exercise group that were further confirmed by IHC studies.

Conclusions:
Together these data have important implications for cancer interception in LS, and document for the first-time biological effects of exercise in the immune system of a target organ in patients at-risk for cancer.
Entinostat Enhances the Efficacy of Chemotherapy in Small Cell Lung Cancer Through S-phase Arrest and Decreased Base Excision Repair
Authors: Solta Anna , Boettiger Kristiina , Kovács Ildikó , Lang Christian , Megyesfalvi Zsolt , Ferk Franziska , Mišík Miroslav , Hoetzenecker Konrad , Aigner Clemens , Kowol Christian R. , Knasmueller Siegfried , Grusch Michael , Szeitz Beáta , Rezeli Melinda , Dome Balazs , Schelch Karin 
Published: September 2023

Abstract

Purpose:
Acquired chemoresistance is a frequent event in small cell lung cancer (SCLC), one of the deadliest human malignancies. Histone deacetylase inhibitors (HDACi) have been shown to synergize with different chemotherapeutic agents including cisplatin. Accordingly, we aimed to investigate the dual targeting of HDAC inhibition and chemotherapy in SCLC.

Experimental Design:
The efficacy of HDACi and chemotherapy in SCLC was investigated both in vitro and in vivo. Synergistic drug interactions were calculated based on the HSA model (Combenefit software). Results from the proteomic analysis were confirmed via ICP-MS, cell-cycle analysis, and comet assays.

Results:
Single entinostat- or chemotherapy significantly reduced cell viability in human neuroendocrine SCLC cells. The combination of entinostat with either cisplatin, carboplatin, irinotecan, epirubicin, or etoposide led to strong synergy in a subset of resistant SCLC cells. Combination treatment with entinostat and cisplatin significantly decreased tumor growth in vivo. Proteomic analysis comparing the groups of SCLC cell lines with synergistic and additive response patterns indicated alterations in cell-cycle regulation and DNA damage repair. Cell-cycle analysis revealed that cells exhibiting synergistic drug responses displayed a shift from G1 to S-phase compared with cells showing additive features upon dual treatment. Comet assays demonstrated more DNA damage and decreased base excision repair in SCLC cells more responsive to combination therapy.

Conclusions:
In this study, we decipher the molecular processes behind synergistic interactions between chemotherapy and HDAC inhibition. Moreover, we report novel mechanisms to overcome drug resistance in SCLC, which may be relevant to increasing therapeutic success.
Targeting DNA Repair and Survival Signaling in Diffuse Intrinsic Pontine Gliomas to Prevent Tumor Recurrence
Authors: Sharma Monika , Barravecchia Ivana , Teis Robert , Cruz Jeanette , Mumby Rachel , Ziemke Elizabeth K. , Espinoza Carlos E. , Krishnamoorthy Varunkumar , Magnuson Brian , Ljungman Mats , Koschmann Carl , Chandra Joya , Whitehead Christopher E. , Sebolt-Leopold Judith S. , Galban Stefanie 
Published: September 2023

Abstract
Therapeutic resistance remains a major obstacle to successful clinical management of diffuse intrinsic pontine glioma (DIPG), a high-grade pediatric tumor of the brain stem. In nearly all patients, available therapies fail to prevent progression. Innovative combinatorial therapies that penetrate the blood–brain barrier and lead to long-term control of tumor growth are desperately needed. We identified mechanisms of resistance to radiotherapy, the standard of care for DIPG. On the basis of these findings, we rationally designed a brain-penetrant small molecule, MTX-241F, that is a highly selective inhibitor of EGFR and PI3 kinase family members, including the DNA repair protein DNA-PK. Preliminary studies demonstrated that micromolar levels of this inhibitor can be achieved in murine brain tissue and that MTX-241F exhibits promising single-agent efficacy and radiosensitizing activity in patient-derived DIPG neurospheres. Its physiochemical properties include high exposure in the brain, indicating excellent brain penetrance. Because radiotherapy results in double-strand breaks that are repaired by homologous recombination (HR) and non-homologous DNA end joining (NHEJ), we have tested the combination of MTX-241F with an inhibitor of Ataxia Telangiectasia Mutated to achieve blockade of HR and NHEJ, respectively, with or without radiotherapy. When HR blockers were combined with MTX-241F and radiotherapy, synthetic lethality was observed, providing impetus to explore this combination in clinically relevant models of DIPG.
Our data provide proof-of-concept evidence to support advanced development of MTX-241F for the treatment of DIPG. Future studies will be designed to inform rapid clinical translation to ultimately impact patients diagnosed with this devastating disease.
Comparison of CT-derived Plaque Characteristic Index With CMR Perfusion for Ischemia Diagnosis in Stable CAD
Authors: Guo Wei-feng , Xu Hai-jia , Lu Yi-ge , Qiao Guan-yu , Yang Shan , Zhao Shi-hai , Jin Hang , Dai Neng , Yao Zhi-feng , Yin Jia-sheng , Li Chen-guang , He Wei , Zeng Mengsu 
Published: September 2023

BACKGROUND:
Coronary computed tomography angiography (CCTA) and cardiac magnetic resonance (CMR) have been used to diagnose lesion-specific ischemia in patients with coronary artery disease. The aim of this study was to investigate the diagnostic performance of CCTA-derived plaque characteristic index compared with myocardial blood flow (MBF) and myocardial perfusion reserve (MPR) derived from CMR perfusion in the assessment of lesion-specific ischemia.

METHODS:
Between October 2020 and March 2022, consecutive patients with suspected or known coronary artery disease, who were clinically referred for invasive coronary angiography were prospectively enrolled. All participants sequentially underwent CCTA and CMR and invasive fractional flow reserve within 2 weeks. The diagnostic performance of CCTA-derived plaque characteristics, CMR perfusion-derived stress MBF, and MPR were compared. Lesions with fractional flow reserve ≤0.80 were considered to be hemodynamically significant stenosis.

RESULTS:
Nighty-two patients with 141 vessels were included in this study. Plaque length, minimum luminal area, plaque area, percent area stenosis, total atheroma volume, vessel volume, lipid-rich volume, spotty calcium, napkin-ring signs, stress MBF, and MPR in flow-limiting stenosis group were significantly different from nonflow-limiting group. The overall accuracy, sensitivity, specificity, positive predictive value, and negative predictive value of lesion-specific ischemia diagnosis were 61.0%, 55.3%, 63.1%, 35.6%, and 79.3% for stress MBF, and 89.4%, 89.5%, 89.3%, 75.6%, 95.8% for MPR; meanwhile, 82.3%, 79.0%, 84.5%, 65.2%, and 91.6% for CCTA-derived plaque characteristic index.

CONCLUSIONS:
In our prospective study, CCTA-derived plaque characteristics and MPR derived from CMR performed well in diagnosing lesion-specific myocardial ischemia and were significantly better than stress MBF in stable coronary artery disease.
Psychosocial Stressors at Work and Coronary Heart Disease Risk in Men and Women: 18-Year Prospective Cohort Study of Combined Exposures
Authors: Lavigne-Robichaud Mathilde , Trudel Xavier , Talbot Denis , Milot Alain , Gilbert-Ouimet Mahée , Vézina Michel , Laurin Danielle , Dionne Clermont E. , Pearce Neil , Dagenais Gilles R. , Brisson Chantal 
Published: September 2023

BACKGROUND.
Psychosocial stressors at work, like job strain and effort-reward imbalance (ERI), can increase coronary heart disease (CHD) risk. ERI indicates an imbalance between the effort and received rewards. Evidence about the adverse effect of combined exposure to these work stressors on CHD risk is scarce. This study examines the separate and combined effect of job strain and ERI exposure on CHD incidence in a prospective cohort of white-collar workers in Quebec, Canada.

METHODS.
Six thousand four hundred sixty-five white-collar workers without cardiovascular disease (mean age, 45.3±6.7) were followed for 18 years (from 2000 to 2018). Job strain and ERI were measured with validated questionnaires. CHD events were retrieved from medico-administrative databases using validated algorithms. Marginal Cox models were used to calculate hazard ratios (HR) stratified by sex. Multiple imputation and inverse probability weights were applied to minimize potential threats to internal validity.

RESULTS.
Among 3118 men, 571 had a first CHD event. Exposure to either job strain or ERI was associated with an adjusted 49% CHD risk increase (HR, 1.49 [95% CI, 1.07–2.09]). Combined exposure to job strain and ERI was associated with an adjusted 103% CHD risk increase (HR, 2.03 [95% CI, 1.38–2.97]). Exclusion of early CHD cases and censoring at retirement did not alter these associations. Among 3347 women, 265 had a first CHD event. Findings were inconclusive (passive job HR, 1.24 [95% CI, 0.80–1.91]; active job HR, 1.16 [95% CI, 0.70–1.94]; job strain HR, 1.08 [95% CI, 0.66–1.77]; ERI HR, 1.02 [95% CI, 0.72–1.45]).

CONCLUSIONS.
In this prospective cohort study, men exposed to job strain or ERI, separately and in combination, were at increased risk of CHD. Early interventions on these psychosocial stressors at work in men may be effective prevention strategies to reduce CHD burden. Among women, further investigation is required.
Winning the Lottery With Neural Connectivity Constraints: Faster Learning Across Cognitive Tasks With Spatially Constrained Sparse RNNs
Authors: Khona Mikail , Chandra Sarthak , Ma Joy J. , Fiete Ila R. 
Published: September 2023

Abstract
Recurrent neural networks (RNNs) are often used to model circuits in the brain and can solve a variety of difficult computational problems requiring memory, error correction, or selection (Hopfield, 1982; Maass et al., 2002; Maass, 2011). However, fully connected RNNs contrast structurally with their biological counterparts, which are extremely sparse (about 0.1%). Motivated by the neocortex, where neural connectivity is constrained by physical distance along cortical sheets and other synaptic wiring costs, we introduce locality masked RNNs (LM-RNNs) that use task-agnostic predetermined graphs with sparsity as low as 4%. We study LM-RNNs in a multitask learning setting relevant to cognitive systems neuroscience with a commonly used set of tasks, 20-Cog-tasks (Yang et al., 2019). We show through reductio ad absurdum that 20-Cog-tasks can be solved by a small pool of separated autapses that we can mechanistically analyze and understand. Thus, these tasks fall short of the goal of inducing complex recurrent dynamics and modular structure in RNNs. We next contribute a new cognitive multitask battery, Mod-Cog, consisting of up to 132 tasks that expands by about seven-fold the number of tasks and task complexity of 20-Cog-tasks. Importantly, while autapses can solve the simple 20-Cog-tasks, the expanded task set requires richer neural architectures and continuous attractor dynamics. On these tasks, we show that LM-RNNs with an optimal sparsity result in faster training and better data efficiency than fully connected networks.