bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of alloying Li on lithium-ion batteries applicability of two-dimensional TiN and TiC as novel electrode materials: a first principle study
Authors: Shirvani Fatemeh , Jafari Mohammad Reza , Shokri Aliasghar 
Published: September 2023

AbstractThe two-dimensional structures of transition metal nitride and carbide, TiN, and TiC have been alloyed with lithium (Li) in replacement of Ti, and their Li-ion applicability has been investigated using density functional theory and general gradient approximation. The alloy composition of $$x=0.125$$

x
=
0.125

, 0.25, 0.375, and 0.5 have been considered and the stability of the alloys has been proved by cohesive energy and phonon density of states results. Moreover, the bond lengths between atoms as structural properties have been studied for these alloy structures. The largest peak of quantum capacitance and the largest negative value of surface storage charge are for alloy composition of TiC with $$x=0.125$$

x
=
0.125

with the values of 909.79 $$\upmu $$
μ
F/cm$$^{2}$$

2

and $$-\,1819.58\,\upmu $$

-

1819.58

μ

C/cm$$^{2}$$

2

, respectively. Moreover, the results of the quantum capacitance and surface storage charge as a function of voltage for all Li alloy compounds are in the range of excellent supercapacitors and could have good potential to use as an electrode in the capacitor of Li-ion batteries. Furthermore, the electronic density of states of this group of alloys represents metallic behavior and therefore electrode material. In addition, the diffusion coefficient at temperatures of 77 and 300 K has been calculated using molecular dynamic calculations, and its lowest and largest values are $$8\times 10^{-8}$$

8
×

10

-
8

cm$$^2$$

2

/s (at 77 K) and $$5.6\times 10^{-7}$$

5.6
×

10

-
7

cm$$^2$$

2

/s (at 300), respectively. Plus, the largest value of electrical conductivity per relaxation time at 300 K belongs to Li$$_{0.25}$$

0.25

Ti$$_{0.75}$$

0.75

C with a value of $$9.8\times 10^{19}$$

9.8
×

10
19

/($$\Omega $$
Ω
m s).
M6A regulator methylation patterns and characteristics of immunity in acute ST-segment elevation myocardial infarction
Authors: Yang Jingqi , Shangguan Qing , Xie Guobo , Yang Ming , Sheng Guotai 
Published: September 2023

AbstractM6A methylation is the most prevalent and abundant RNA modification in mammals. Although there are many studies on the regulatory role of m6A methylation in the immune response, the m6A regulators in the pathogenesis of acute ST-segment elevation myocardial infarction (STEMI) remain unclear. We comprehensively analysed the role of m6A regulators in STEMI and built a predictive model, revealing the relationship between m6A methylations and the immune microenvironment. Differential analysis revealed that 18 of 24 m6A regulators were significantly differentially expressed, and there were substantial interactions between the m6A regulator. Then, we established a classifier and nomogram model based on 6 m6A regulators, which can easily distinguish the STEMI and control samples. Finally, two distinct m6A subtypes were obtained and significantly differentially expressed in terms of infiltrating immunocyte abundance, immune reaction activity and human leukocyte antigen genes. Three hub m6A phenotype related genes (RAC2, RELA, and WAS) in the midnightblue module were identified by weighted gene coexpression network analysis, and were associated with immunity. These findings suggest that m6A modification and the immune microenvironment play a key role in the pathogenesis of STEMI.
Development of artificial intelligence prognostic model for surgically resected non-small cell lung cancer
Authors: Kinoshita Fumihiko , Takenaka Tomoyoshi , Yamashita Takanori , Matsumoto Koutarou , Oku Yuka , Ono Yuki , Wakasu Sho , Haratake Naoki , Tagawa Tetsuzo , Nakashima Naoki , Mori Masaki 
Published: September 2023

AbstractThere are great expectations for artificial intelligence (AI) in medicine. We aimed to develop an AI prognostic model for surgically resected non-small cell lung cancer (NSCLC). This study enrolled 1049 patients with pathological stage I–IIIA surgically resected NSCLC at Kyushu University. We set 17 clinicopathological factors and 30 preoperative and 22 postoperative blood test results as explanatory variables. Disease-free survival (DFS), overall survival (OS), and cancer-specific survival (CSS) were set as objective variables. The eXtreme Gradient Boosting (XGBoost) was used as the machine learning algorithm. The median age was 69 (23–89) years, and 605 patients (57.7%) were male. The numbers of patients with pathological stage IA, IB, IIA, IIB, and IIIA were 553 (52.7%), 223 (21.4%), 100 (9.5%), 55 (5.3%), and 118 (11.2%), respectively. The 5-year DFS, OS, and CSS rates were 71.0%, 82.8%, and 88.7%, respectively. Our AI prognostic model showed that the areas under the curve of the receiver operating characteristic curves of DFS, OS, and CSS at 5 years were 0.890, 0.926, and 0.960, respectively. The AI prognostic model using XGBoost showed good prediction accuracy and provided accurate predictive probability of postoperative prognosis of NSCLC.
A novel monoclonal antibody against 6-sulfo sialyl Lewis x glycans attenuates murine allergic rhinitis by suppressing Th2 immune responses
Authors: Liu Wei , Xiong Wei , Liu Wenxin , Hirakawa Jotaro , Kawashima Hiroto 
Published: September 2023

AbstractLymphocyte homing is mediated by the interaction between L-selectin on lymphocytes and its glycoprotein ligands modified with 6-sulfo sialyl Lewis x (6-sulfo sLex) glycans on high endothelial venules (HEVs) in peripheral lymph nodes (PLNs). However, the lack of specific antibodies reactive with both human and mouse 6-sulfo sLex has limited our understanding of its function in vivo. Here, we generated a novel monoclonal antibody, termed SF1, that specifically reacts with 6-sulfo sLex expressed on HEVs in both species in a manner dependent on sulfate, fucose, and sialic acid modifications. Glycan array and biolayer interferometry analyses indicated that SF1 specifically bound to 6-sulfo sLex with a dissociation constant of 6.09 × 10–9 M. SF1 specifically bound to four glycoproteins from PLNs corresponding to the molecular sizes of L-selectin ligand glycoproteins. Consistently, SF1 inhibited L-selectin-dependent lymphocyte rolling on 6-sulfo sLex-expressing cells ex vivo and lymphocyte homing to PLNs and nasal-associated lymphoid tissues in vivo. Furthermore, SF1 significantly attenuated ovalbumin-induced allergic rhinitis in mice in association with significant suppression of Th2 immune responses. Collectively, these results suggest that SF1 can be useful for the functional analysis of 6-sulfo sLex and may potentially serve as a novel therapeutic agent against immune-related diseases.
The relationship between hyperglycaemia on admission and patient outcome is modified by hyperlactatemia and diabetic status: a retrospective analysis of the eICU collaborative research database
Authors: Fitzgerald Oisin , Perez-Concha Oscar , Gallego-Luxan Blanca , Rudd Lachlan , Jorm Louisa 
Published: September 2023

AbstractBoth blood glucose and lactate are well-known predictors of organ dysfunction and mortality in critically ill patients. Previous research has shown that concurrent adjustment for glucose and lactate modifies the relationship between these variables and patient outcomes, including blunting of the association between blood glucose and patient outcome. We aim to investigate the relationship between ICU admission blood glucose and hospital mortality while accounting for lactate and diabetic status. Across 43,250 ICU admissions, weighted to account for missing data, we assessed the predictive ability of several logistic regression and generalised additive models that included blood glucose, blood lactate and diabetic status. We found that inclusion of blood glucose marginally improved predictive performance in all patients: AUC-ROC 0.665 versus 0.659 (p = 0.005), with a greater degree of improvement seen in non-diabetics: AUC-ROC 0.675 versus 0.663 (p < 0.001). Inspection of the estimated risk profiles revealed the standard U-shaped risk profile for blood glucose was only present in non-diabetic patients after controlling for blood lactate levels. Future research should aim to utilise observational data to estimate whether interventions such as insulin further modify this effect, with the goal of informing future RCTs of interventions targeting glycaemic control in the ICU.
Synthesis of pyridone derivatives using 2D rod like bifunctional Fe based MOF and CuO nanocomposites as a novel heterogeneous catalyst
Authors: Hoot Negar , Sheikhhosseini Enayatollah , Ahmadi Sayed Ali , Ghazizadeh Mahdieh , Malekshahi Moslem , Yahyazadehfar Mahdieh 
Published: September 2023

AbstractIn this study, a new and efficient Rod-like bifunctional Fe-based MOF@CuO nanocomposites (RL BF Fe-based MOF@CuO NC) were synthesized as new and efficient heterogeneous catalyst through a simple method from easily available 1,3,5-benzenetricarbocylic acid linker, nitrate ferric as a source of iron and copper oxide (CuO) nanoparticles under microwave irradiation. The synthesized nanocatalysts were characterized with different techniques such as Brunauer–Emmett–Teller (BET), energy dispersive spectroscopy (EDS), field emission scanning electron microscopy (FE-SEM), mapping, transmission electron microscopy (TEM), X-ray diffraction (XRD), vibrating sample magnetometer (VSM), thermogravimetric analysis (TGA) and Fourier transform infrared spectroscopy (FT-IR). The RL BF Fe-based MOF@CuO NC had relatively high specific surface area (203 m2 g−1) while exhibiting superparamagnetic properties. The catalytic activity of RL BF Fe-based MOF@CuO NC was explored in a facile and green methodology to prepare diverse N‑amino-2-pyridones by one-pot four component reactions comprising aromatic aldehyde, malononitrile, methyl cyanoacetate and hydrazine hydrate within mild and solvent-free conditions. This protocol enjoys features like providing the final products during low reaction times in excellent yields under solvent-free conditions. The use of easily available and inexpensive reactants for the synthesis of the catalyst, environmental compatibility, low catalyst loading, fast and clean work-up and reusability of catalyst for several cycles with consistent activity are counted as the outstanding features of this procedure.
The COVID-19 pandemic did not negatively impact frequency or continuity of outpatient care in Alberta, Canada
Authors: McAlister Finlay A. , Hsu Zoe , Dong Yuan , Youngson Erik 
Published: September 2023

AbstractOutpatient care patterns have changed markedly during the COVID-19 pandemic. In this population-based retrospective cohort study, we compared the frequency of outpatient care (whether in-person or virtual) and continuity of care for all community-dwelling adults in Alberta between March 1, 2019 and February 29, 2020 (pre-pandemic) versus March 1, 2020 to February 28, 2021 (pandemic). We calculated provider continuity using Breslau’s Usual Provider Continuity (UPC) for patients with at least 2 outpatient encounters. In 2019–20, 594,350 (98.4%) of 603,877 community-dwelling adults with ambulatory care sensitive conditions (ACSC) had $$\ge$$
≥
1 outpatient visit (median 8 visits, mean UPC score 0.61, SD 0.23), compared to 566,569 (98.6%) of 574,613 (median 8 visits, mean UPC score 0.67, SD 0.23) during the first year of the pandemic. Similar patterns were seen for adults without ACSC: 2,207,710 (93.9%) of 2,350,147 had $$\ge$$
≥
1 outpatient visit (median 3 visits, mean UPC score 0.61, SD 0.24) pre-pandemic compared to 2,113,239 (93.5%, median 4 visits, mean UPC 0.67, SD 0.24) in the first year of the pandemic. Thus, the COVID-19 pandemic did not impact frequency of follow-up while continuity of care improved both for patients with or without ACSC in Alberta, Canada.
Cancer/testis antigen CAGE mediates osimertinib resistance in non-small cell lung cancer cells and predicts poor prognosis in patients with pulmonary adenocarcinoma
Authors: Yeon Minjeong , Lee Hankyu , Yeo Jeongseon , Jeong Myeong Seon , Jung Hyun Suk , Lee Hyerim , Shim Kyeonghee , Jo Hyein , Jeon Doyong , Koh Jaemoon , Jeoung Dooil 
Published: September 2023

AbstractCAGE, a cancer/testis antigen, was originally isolated from the sera of patients with gastric cancers. Previously, we have shown the role of CAGE in resistance to chemotherapy and target therapy. The aim of this study was to investigate the role of CAGE in osimertinib resistance and determine the prognostic value of CAGE in patients with pulmonary adenocarcinomas. The clinicopathological correlation with CAGE and autophagy flux in patients was examined using immunohistochemistry and in situ hybridization. The possible role of autophagy in osimertinib resistance was analyzed using immune blot, immune fluorescence staining and immunohistochemistry. This study found that immunohistochemical staining (IHC) showed CAGE expression in more than 50% of patients with pulmonary adenocarcinomas (pADCs). CAGE expression was increased in pADCs after the acquisition of EGFR-TKIs resistance. High expression of CAGE was correlated with shorter overall survival and progression free survival in patients with pADCs. Thus, CAGE mediates osimertinib resistance and predicts poor prognosis in patients with pADCs. Osimertinib-resistant non-small cell lung cancer cells (PC-9/OSI) were established and mechanistic studies of CAGE-mediated osimertinib resistance were performed. PC-9/OSI cells showed increased autophagic flux and CAGE expression compared with parental sensitive PC-9 cells. PC-9/OSI cells showed higher tumorigenic, metastatic, and angiogenic potential compared with parental PC-9 cells. CAGE CRISPR-Cas9 cell lines showed decreased autophagic flux, invasion, migration potential, and tumorigenic potential compared with PC-9/OSI cells in vitro and in vivo. CAGE plays a crucial role in the cancer progression by modulating autophagy and can predict the poor prognosis of patients with pulmonary adenocarcinomas. Our findings propose CAGE as a potential therapeutic target for developing anticancer drugs that can overcome osimertinib resistance.
Optical signatures of Förster-induced energy transfer in organic/TMD heterostructures
Authors: Thompson Joshua J. P. , Gerhard Marina , Witte Gregor , Malic Ermin 
Published: September 2023

AbstractHybrid van der Waals heterostructures of organic semiconductors and transition metal dichalcogenides (TMDs) are promising candidates for various optoelectronic devices, such as solar cells and biosensors. Energy-transfer processes in these materials are crucial for the efficiency of such devices, yet they are poorly understood. In this work, we develop a fully microscopic theory describing the effect of the Förster interaction on exciton dynamics and optics in a WSe2/tetracene heterostack. We demonstrate that the differential absorption and time-resolved photoluminescence can be used to track the real-time evolution of excitons. We predict a strongly unidirectional energy transfer from the organic to the TMD layer. Furthermore, we explore the role temperature has in activating the Förster transfer and find a good agreement to previous experiments. Our results provide a blueprint to tune the light-harvesting efficiency through temperature, molecular orientation and interlayer separation in TMD/organic heterostructures.
BRAFV600E-mutated serrated colorectal neoplasia drives transcriptional activation of cholesterol metabolism
Authors: Rzasa Paulina , Whelan Sarah , Farahmand Pooyeh , Cai Hong , Guterman Inna , Palacios-Gallego Raquel , Undru Shanthi S. , Sandford Lauren , Green Caleb , Andreadi Catherine , Mintseva Maria , Parrott Emma , Jin Hong , Hey Fiona , Giblett Susan , Sylvius Nicolas B. , Allcock Natalie S. , Straatman-Iwanowska Anna , Feuda Roberto , Tufarelli Cristina , Brown Karen , Pritchard Catrin , Rufini Alessandro 
Published: September 2023

AbstractBRAF mutations occur early in serrated colorectal cancers, but their long-term influence on tissue homeostasis is poorly characterized. We investigated the impact of short-term (3 days) and long-term (6 months) expression of BrafV600E in the intestinal tissue of an inducible mouse model. We show that BrafV600E perturbs the homeostasis of intestinal epithelial cells, with impaired differentiation of enterocytes emerging after prolonged expression of the oncogene. Moreover, BrafV600E leads to a persistent transcriptional reprogramming with enrichment of numerous gene signatures indicative of proliferation and tumorigenesis, and signatures suggestive of metabolic rewiring. We focused on the top-ranking cholesterol biosynthesis signature and confirmed its increased expression in human serrated lesions. Functionally, the cholesterol lowering drug atorvastatin prevents the establishment of intestinal crypt hyperplasia in BrafV600E-mutant mice. Overall, our work unveils the long-term impact of BrafV600E expression in intestinal tissue and suggests that colorectal cancers with mutations in BRAF might be prevented by statins.
The localization of centromere protein A is conserved among tissues
Authors: Cappelletti Eleonora , Piras Francesca M. , Sola Lorenzo , Santagostino Marco , Petersen Jessica L. , Bellone Rebecca R. , Finno Carrie J. , Peng Sichong , Kalbfleisch Ted S. , Bailey Ernest , Nergadze Solomon G. , Giulotto Elena 
Published: September 2023

AbstractCentromeres are epigenetically specified by the histone H3 variant CENP-A. Although mammalian centromeres are typically associated with satellite DNA, we previously demonstrated that the centromere of horse chromosome 11 (ECA11) is completely devoid of satellite DNA. We also showed that the localization of its CENP-A binding domain is not fixed but slides within an about 500 kb region in different individuals, giving rise to positional alleles. These epialleles are inherited as Mendelian traits but their position can move in one generation. It is still unknown whether centromere sliding occurs during meiosis or during development. Here, we first improve the sequence of the ECA11 centromeric region in the EquCab3.0 assembly. Then, to test whether centromere sliding may occur during development, we map the CENP-A binding domains of ECA11 using ChIP-seq in five tissues of different embryonic origin from the four horses of the equine FAANG (Functional Annotation of ANimal Genomes) consortium. Our results demonstrate that the centromere is localized in the same region in all tissues, suggesting that the position of the centromeric domain is maintained during development.
Identification of enzymatic functions of osmo-regulated periplasmic glucan biosynthesis proteins from Escherichia coli reveals a novel glycoside hydrolase family
Authors: Motouchi Sei , Kobayashi Kaito , Nakai Hiroyuki , Nakajima Masahiro 
Published: September 2023

AbstractMost Gram-negative bacteria synthesize osmo-regulated periplasmic glucans (OPG) in the periplasm or extracellular space. Pathogenicity of many pathogens is lost by knocking out opgG, an OPG-related gene indispensable for OPG synthesis. However, the biochemical functions of OpgG and OpgD, a paralog of OpgG, have not been elucidated. In this study, structural and functional analyses of OpgG and OpgD from Escherichia coli revealed that these proteins are β-1,2-glucanases with remarkably different activity from each other, establishing a new glycoside hydrolase family, GH186. Furthermore, a reaction mechanism with an unprecedentedly long proton transfer pathway among glycoside hydrolase families is proposed for OpgD. The conformation of the region that forms the reaction pathway differs noticeably between OpgG and OpgD, which explains the observed low activity of OpgG. The findings enhance our understanding of OPG biosynthesis and provide insights into functional diversity for this novel enzyme family.
Tight finite-key analysis for mode-pairing quantum key distribution
Authors: Wang Ze-Hao , Wang Rong , Yin Zhen-Qiang , Wang Shuang , Lu Feng-Yu , Chen Wei , He De-Yong , Guo Guang-Can , Han Zheng-Fu 
Published: September 2023

AbstractMode-pairing quantum key distribution (MP-QKD) is a potential protocol that is not only immune to all possible detector side channel attacks, but also breaks the repeaterless rate-transmittance bound without needing global phase locking. Here we analyze the finite-key effect for the MP-QKD protocol with rigorous security proof against general attacks. Moreover, we propose a six-state MP-QKD protocol and analyze its finite-key effect. The results show that the original protocol can break the repeaterless rate-transmittance bound with a typical finite number of pulses in practice. And our six-state protocol can improve the secret key rate significantly in long distance cases.
Upregulation of WDR6 drives hepatic de novo lipogenesis in insulin resistance in mice
Authors: Yao Zhenyu , Gong Ying , Chen Wenbin , Shao Shanshan , Song Yongfeng , Guo Honglin , Li Qihang , Liu Sijin , Wang Ximing , Zhang Zhenhai , Wang Qian , Xu Yunyun , Wu Yingjie , Wan Qiang , Zhao Xinya , Xuan Qiuhui , Wang Dawei , Lin Xiaoyan , Xu Jiawen , Liu Jun , Proud Christopher G. , Wang Xuemin , Yang Rui , Fu Lili , Niu Shaona , Kong Junjie , Gao Ling , Bo Tao , Zhao Jiajun 
Published: September 2023

AbstractUnder normal conditions, insulin promotes hepatic de novo lipogenesis (DNL). However, during insulin resistance (IR), when insulin signalling is blunted and accompanied by hyperinsulinaemia, the promotion of hepatic DNL continues unabated and hepatic steatosis increases. Here, we show that WD40 repeat-containing protein 6 (WDR6) promotes hepatic DNL during IR. Mechanistically, WDR6 interacts with the beta-type catalytic subunit of serine/threonine-protein phosphatase 1 (PPP1CB) to facilitate PPP1CB dephosphorylation at Thr316, which subsequently enhances fatty acid synthases transcription through DNA-dependent protein kinase and upstream stimulatory factor 1. Using molecular dynamics simulation analysis, we find a small natural compound, XLIX, that inhibits the interaction of WDR6 with PPP1CB, thus reducing DNL in IR states. Together, these results reveal WDR6 as a promising target for the treatment of hepatic steatosis.
Nearby fault interaction within the double-vergence suture in eastern Taiwan during the 2022 Chihshang earthquake sequence
Authors: Tang Chi-Hsien , Lin Yunung Nina , Tung Hsin , Wang Yu , Lee Shiann-Jong , Hsu Ya-Ju , Shyu J. Bruce H. , Kuo Yu-Ting , Chen Horng-Yue 
Published: September 2023

AbstractNearby faults interact through stress changes induced by fault slip and viscoelastic flow. The process is, however, often elusive and can be geometry-dependent and time-variant. Here, we combine geodetic and field observations to characterize the interaction of two head-to-head, conjugate faults in eastern Taiwan during the 2022 Chihshang earthquake sequence. We map the coseismic slip on the Central Range fault and dynamically-triggered shallow slip on the Longitudinal Valley fault, which has been creeping interseismically. Overlapping of seismic and aseismic slip suggests that the Longitudinal Valley fault is capable of hosting a variety of distinct slip behaviors. Moreover, substantial slip on the Central Range fault suppresses Coulomb stress on the Longitudinal Valley fault, and vice versa, resulting in seismic bursts in an out-of-phase pattern on the two faults as seen in the hundred-year historical records. Such fault interaction implies the need for time-dependent seismic hazard reassessment for the complex fault system.