bluuebunny/crossref_metadata_2025 huggingface dataset:
CBL-b E3 ligase-mediated neddylation and activation of PARP-1 induce vascular calcification
Authors: Kwon Duk-Hwa , Shin Sera , Nam Yoon Seok , Choe Nakwon , Lim Yongwoon , Jeong Anna , Lee Yun-Gyeong , Kim Young-Kook , Kook Hyun
Published: October 2024

Vascular calcification (VC) refers to the accumulation of mineral deposits on the walls of arteries and veins, and it is closely associated with increased mortality in cardiovascular disease patients, particularly among high-risk patients with diabetes and chronic kidney disease (CKD). Neuronal precursor cell-expressed developmentally downregulated protein 8 (NEDD8) is a ubiquitin-like protein that plays a pivotal role in various cellular functions, primarily through its conjugation to target proteins and subsequent relay of biological signals. However, the role of NEDDylation in VC has not been investigated. In our study, we observed that MLN4924, an inhibitor of the NEDD8-activating E1 enzyme, effectively impedes the progression of VC. LC‒MS/MS analysis revealed that poly(ADP‒ribose) polymerase 1 (PARP-1) is subjected to NEDD8 conjugation, leading to an increase in PARP-1 activity during VC. We subsequently revealed that PARP-1 NEDDylation is mediated by the E3 ligase CBL proto-oncogene B (CBL-b) and is reversed by NEDD8-specific protease 1 (NEDP-1) during VC. Furthermore, the CBL-b C373 peptide effectively mitigated the inactive form of the E3 ligase activity of CBL-b, ultimately preventing VC. These findings provide compelling evidence that the NEDD8-dependent activation of PARP-1 represents a novel mechanism underlying vascular calcification and suggests a promising new therapeutic target for VC.
MAT2B regulates the protein level of MAT2A to preserve RNA N6-methyladenosine
Authors: Wan Xinyi , Zeng Weiwu , Fan Haonan , Wang Chenliang , Han Shixun , Sun Zhongxing , Tang Mei , Shao Juejia , Liu Yu , Fang Yuan , Jia Junqi , Tang Yin , Zhang Yanjun , Zhao Bin , Fang Dong
Published: October 2024

MAT2B works together with MAT2A to synthesize S-Adenosyl methionine (SAM) as the primary methyl donor. MAT2B, despite lacking catalytic activity, exerts regulatory control over the enzymatic activity of MAT2A. In addition to the enzymatic activity regulation, we find that, in an NADP+-dependent manner, MAT2B binds and stabilizes MAT2A. Disruption of the cellular NADP+remodels the protein level of MAT2A. The pentose phosphatase pathway regulates the level of MAT2A protein through the interaction of NADP+with MAT2B. Additionally, MAT2B-MAT2A interaction regulates the mRNA m6A modification and stability. In liver tumors, theMat2amRNA level is elevated but the protein level is decreased by the restricted NADP+. Blocking the interaction between MAT2B and MAT2A by the keto diet can suppress liver tumor growth. These findings reveal that MAT2B is essential for regulating the protein levels of MAT2A and connecting SAM synthesis to mRNA m6A.
Serum apolipoprotein H determines ferroptosis resistance by modulating cellular lipid composition
Authors: He Xiang , Zhang Jiahui , Huang Masha , Wang Jie , Yang Simin , Yu Xiang , Xu Yingjie , Yang Wen
Published: October 2024

Ferroptosis is a regulated cell death process dependent on iron, triggered by the accumulation of lipid peroxidation. The environmental context significantly impacts cellular sensitivities to ferroptosis. Serum, constituting the extracellular fluid composition in vivo, provides crucial environmental biomolecules. In this study, we investigated the influence of sera on ferroptosis induction, pinpointing the serum protein apolipoprotein H (APOH) as a pivotal inhibitor of ferroptosis. Moreover, we elucidated that APOH suppresses ferroptosis by activating the phosphoinositide 3-kinase (PI3K)-AKT-sterol regulatory element-binding proteins (SREBPs) pathway, thereby elevating stearoyl-CoA desaturase (SCD) levels and augmenting cellular monounsaturated fatty acid-containing phospholipids (MUFA-PLs). Furthermore, ApoHinfer, the peptide derivative of the active region of APOH, mimics its ferroptosis inhibitory activity. Our findings underscore the critical role of serum protein APOH in the inhibition of ferroptosis and indicates potential therapeutic applications in treating cancer and diseases associated with ferroptosis.
Developing an erythrocyte‒MHC-I conjugate for cancer treatment
Authors: Liu Yuehua , Nie Xiaoqian , Yao Xingyun , Shou Huafeng , Yuan Yang , Ge Yun , Tong Xiangmin , Lee Hsiang-Ying , Gao Xiaofei
Published: October 2024

Mature erythrocytes are known to lack major histocompatibility complex (MHC) proteins. However, the presence of MHC molecules on erythrocytes has been occasionally reported, though without a defined function. In this study, we designed erythrocyte conjugated solely with a fusion protein consisting of an antigenic peptide linked to MHC class I (MHC-I) protein, termed MHC-I‒Ery. The modified erythrocyte, decorated with the peptide derived from human papillomavirus (HPV) 16 oncoprotein E6/E7, effectively activated antigen-specific CD8+ T cells in peripheral blood mononuclear cells (PBMCs) from HPV16+ cervical cancer patients. Additionally, MHC-I‒Ery monotherapy was shown to inhibit antigen-positive tumor growth in mice. This treatment immediately activated CD8+ T cells and reduced suppressive myeloid cells in the spleen, leading to systemic anti-tumor activity. Safety and tolerability evaluations of MHC-I‒Ery in non-human primates further supported its clinical potential. Our results first demonstrated that erythrocytes equipped solely with antigen peptide‒MHC-I complexes can robustly stimulate the immune system, suggesting a novel and promising approach for advancing cancer immunotherapy.
Palladium-catalyzed difluorocarbene transfer enables access to enantioenriched chiral spirooxindoles
Authors: Nie Zhiwen , Wu Keqin , Zhan Xiaohang , Yang Weiran , Lian Zhong , Lin Shaoquan , Wang Shou-Guo , Yin Qin
Published: October 2024

We disclose herein an unprecedented Pd-catalyzed difluorocarbene transfer reaction, which assembles a series of structurally interesting chiral spiro ketones with generally over 90% ee. Commercially available BrCF2CO2K serves as the difluorocarbene precursor, which is harnessed as a user-friendly and safe carbonyl source in this transformation. Preliminary mechanistic studies exclude the formation of free CO in the reaction process, and importantly, we also find that BrCF2CO2K outcompete gaseous CO and several common CO surrogates in this asymmetric process. The reaction mechanism, including the in-situ progressive release of the difluorocarbene, the rapid migratory insertion of ArPd(II) = CF2 species, and subsequent defluorination hydrolysis by water to introduce the carbonyl group, accounts for the overall high efficiency and uniqueness. This work clearly showcases the advantage and potential of the difluorocarbene in synthesis and supplies a mechanistically distinct route for asymmetric carbonylative cyclization reactions.
Technology availability, sector policies and behavioral change are complementary strategies for achieving net-zero emissions
Authors: Strefler Jessica , Merfort Leon , Bauer Nico , Stevanović Miodrag , Tänzler Dennis , Humpenöder Florian , Klein David , Luderer Gunnar , Pehl Michaja , Pietzcker Robert C. , Popp Alexander , Rodrigues Renato , Rottoli Marianna , Kriegler Elmar
Published: October 2024

In this study, we analyze the effects of technology availability, political coordination, and behavioral change on transformation pathways toward net-zero greenhouse gas emissions in the European Union by 2050. We implemented an iterative stakeholder dialogue to co-design the scenarios that were calculated using a global multi-regional energy-economy-land-climate model. We find that in scenarios without behavioral change and with restriction of technologies, the target of greenhouse gas neutrality in the European Union cannot be reached. Already a target of 200 Mt CO2eq/yr requires CO2 prices above 100 €/tCO2 in 2030 across all sectors in all scenarios. The required CO2 price can increase to up to 450 €/tCO2 by 2030 if technologies are constrained, if no complementary regulatory measures are implemented, and if changes in consumer behavior towards a more sustainable lifestyle do not materialize.
A reconfigurable and conformal liquid sensor for ambulatory cardiac monitoring
Authors: Zhao Xun , Zhou Yihao , Kwak William , Li Aaron , Wang Shaolei , Dallenger Marklin , Chen Songyue , Zhang Yuqi , Lium Allison , Chen Jun
Published: October 2024

The severe mismatch between solid bioelectronics and dynamic biological tissues has posed enduring challenges in the biomonitoring community. Here, we developed a reconfigurable liquid cardiac sensor capable of adapting to dynamic biological tissues, facilitating ambulatory cardiac monitoring unhindered by motion artifacts or interference from other biological activities. We employed an ultrahigh-resolution 3D scanning technique to capture tomographic images of the skin on the wrist. Then, we established a theoretical model to gain a deep understanding of the intricate interaction between our reconfigurable sensor and dynamic biological tissues. To properly elucidate the advantages of this sensor, we conducted cardiac monitoring alongside benchmarks such as the electrocardiogram. The liquid cardiac sensor was demonstrated to produce stable signals of high quality (23.1 dB) in ambulatory settings.
Cryo-EM structures of the human P2X1 receptor reveal subtype-specific architecture and antagonism by supramolecular ligand-binding
Authors: Oken Adam C. , Lisi Nicolas E. , Ditter Ismayn A. , Shi Haoyuan , Nechiporuk Nadia A. , Mansoor Steven E.
Published: October 2024

P2X receptors are a family of seven trimeric non-selective cation channels that are activated by extracellular ATP to play roles in the cardiovascular, neuronal, and immune systems. Although it is known that the P2X1 receptor subtype has increased sensitivity to ATP and fast desensitization kinetics, an underlying molecular explanation for these subtype-selective features is lacking. Here we report high-resolution cryo-EM structures of the human P2X1 receptor in the apo closed, ATP-bound desensitized, and the high-affinity antagonist NF449-bound inhibited states. The apo closed and ATP-bound desensitized state structures of human P2X1 define subtype-specific properties such as distinct pore architecture and ATP-interacting residues. The NF449-bound inhibited state structure of human P2X1 reveals that NF449 has a unique dual-ligand supramolecular binding mode at the interface of neighboring protomers, inhibiting channel activation by overlapping with the canonical P2X receptor ATP-binding site. Altogether, these data define the molecular pharmacology of the human P2X1 receptor laying the foundation for structure-based drug design.
Flexible electronic-photonic 3D integration from ultrathin polymer chiplets
Authors: Huang Yunxiang , Li Gen , Bai Tianyu , Shin Yieljae , Wang Xiaoxin , More Alexander Ian , Boucher Pierre , Chandrasekaran Chandramouli , Liu Jifeng , Fang Hui
Published: October 2024

Integrating flexible electronics and photonics can create revolutionary technologies, but combining these components on a single polymer device has been difficult, particularly for high-volume manufacturing. Here, we present a robust chiplet-level heterogeneous integration of polymer-based circuits (CHIP), where ultrathin polymer electronic and optoelectronic chiplets are vertically bonded at room temperature and shaped into application-specific forms with monolithic Input/Output (I/O). This process was used to develop a flexible 3D integrated optrode with high-density microelectrodes for electrical recording, micro light-emitting diodes (μLEDs) for optogenetic stimulation, temperature sensors for bio-safe operations, and shielding designs to prevent optoelectronic artifacts. CHIP enables simple, high-yield, and scalable 3D integration, double-sided area utilization, and miniaturization of connection I/O. Systematic characterization demonstrated the scheme’s success and also identified frequency-dependent origins of optoelectronic artifacts. We envision CHIP being applied to numerous polymer-based devices for a wide range of applications.
Protective effects of cilostazol via the HNF1α/FXR signalling pathway and anti-apoptotic mechanisms in a rat model of estrogen-induced intrahepatic cholestasis
Authors: Hassan Marwa , Salem Maha B. , Hammam Olfat A. , ElZallat Mohamed
Published: October 2024

Currently, there is a lack of targeted medications for estrogen-induced intrahepatic cholestasis (EIC) and the primary objective in managing this condition is to safeguard liver function. Consequently, this study was conducted to examine the pharmacological efficacy of cilostazol (CTZ) in the management of EIC and explore its underlying mechanisms through the use of an animal model. Thirty female Sprague-Dawley rats were divided into five groups of six animals each: Normal group, 17-ethinylestradiol (EE)-induced intrahepatic cholestasis group, EE + ursodeoxycholic acid (UDCA)-treated group, EE + CTZ (5 mg/kg)-treated group, and EE + CTZ (10 mg/kg)-treated group. It was found that the therapeutic efficacy of UDCA and low dosage of CTZ (5 mg/kg) was comparable. Nevertheless, when CTZ was administered at a dose of 10 mg/kg, it resulted in the normalization of all liver function parameters, oxidative stress, and pro-inflammatory markers, together with improvement in the histopathological derangements and hepatocytic apoptosis. These effects were mediated through the activation of the hepatocyte nuclear factor-1 alpha (HNF1α)/Farnesoid X receptor (FXR) pathway with subsequent down-regulation of the bile acids (BAs) synthesis enzyme; cholesterol 7α-hydroxylase (CYP7A1), and up-regulation of the BAs-metabolizing enzyme; cytochrome P450 (CYP)3A1 and the bile salt export pump; BSEP. Therefore, the administration of CTZ in a dose-dependent manner can protect against EIC through regulating the HNF1α/FXR pathway and anti-apoptotic mechanisms. This implies that CTZ exhibits considerable promise as a therapeutic agent for the treatment of cholestatic liver disorders.
Structural characterization of green fluorescent protein in the I-state
Authors: Takeda Ryota , Tsutsumi Erika , Okatsu Kei , Fukai Shuya , Takeda Kazuki
Published: October 2024

Green fluorescent protein (GFP) is widely utilized as a fluorescent tag in biochemical fields. Whereas the intermediate (I) state has been proposed in the photoreaction cycle in addition to the A and B states, until now the structure of I has only been estimated by computational studies. In this paper, we report the crystal structures of the I stabilizing variants of GFP at high resolutions where respective atoms can be observed separately. Comparison with the structures in the other states highlights the structural feature of the I state. The side chain of one of the substituted residues, Val203, adopts the gauche- conformation observed for Thr203 in the A state, which is different from the B state. On the other hand, His148 interacts with the chromophore by ordinary hydrogen bonding with a distance of 2.85 Å, while the weaker interaction by longer distances is observed in the A state. Therefore, it was indicated that it is possible to distinguish three states A, B and I by the two hydrogen bond distances Oγ-Thr203···Oη-chromophore and Nδ1-His148···Oη-chromophore. We discuss the characteristics of the I intermediate of wild-type GFP on the bases of the structure estimated from the variant structures by quantum chemical calculations.
Assessing the effect of therapeutic level of oxytetracycline dihydrate on pharmacokinetics and biosafety in Oncorhynchus mykiss (Walbaum, 1792)
Authors: Pathak Richa , Mallik Sumanta Kumar , Patil Prasanna Kumar , Kala Krishna , Shahi Neetu , Nadella Ranjit Kumar , Pandey Nityanand , Kunal Kishor , Pandey Pramod Kumar
Published: October 2024

The aim of the experiment was to investigate the pharmacokinetics of oxytetracycline dihydrate after a single oral administration of 80 mg kg−1 day−1 in rainbow trout and assess its biosafety at concentration of 80, 240, 400, and 800 mg kg−1 day−1 over 30 days, focusing on various aspects such as effective feed consumption, physiological responses, drug tolerance, and detection of low drug concentrations in rainbow trout. The pharmacokinetics study spanned a duration of 5 days, while the assessment of biosafety extended for a 30-day safety margin, followed by a subsequent 10-day residual analysis. Pharmacokinetic analysis revealed slow absorption with low-rate constant in tissues. Absorption rates vary among tissues, with the gill showing the highest rate (0.011 h−1) and plasma exhibiting the slowest (0.0002 h−1). According to pharmacokinetic analysis, the highest concentration, Cmax (µg kg−1) was observed in the kidney (9380 µg kg−1) and gill (8710 µg kg−1), and lowest in muscle (2460 µg kg−1). The time (Tmax) to reach peak concentration (Cmax) varied among tissues, ranging from 3 h in the gill to 32 h in the muscle, with 24 h in plasma, 32 h in the kidney, and 16 h in both the liver and skin. The liver and kidney had the highest area under the concentration-time curve (AUC(0−128)), indicating widespread drug distribution. Prolonged elimination occurred at varying rates across tissues, with the gill showing the highest rate. The study found that OTC concentrations exceeded the LOD and LOQ values. Biosafety evaluation showed effective feed consumption, physiological responses, and low drug concentrations in muscle at the recommended dosage of 80 mg kg−1 fish day−1.
Single-cell phenotypic profiling and backtracing exposes and predicts clinically relevant subpopulations in isogenic Staphylococcus aureus communities
Authors: Hira Jonathan , Singh Bhupender , Halder Tirthankar , Mahmutovic Anel , Ajayi Clement , Sekh Arif Ahmed , Hegstad Kristin , Johannessen Mona , Lentz Christian S.
Published: October 2024

Isogenic bacterial cell populations are phenotypically heterogenous and may include subpopulations of antibiotic tolerant or heteroresistant cells. The reversibility of these phenotypes and lack of biomarkers to differentiate functionally different, but morphologically identical cells is a challenge for research and clinical detection. To overcome this, we present ´Cellular Phenotypic Profiling and backTracing (CPPT)´, a fluorescence-activated cell sorting platform that uses fluorescent probes to visualize and quantify cellular traits and connects this phenotypic profile with a cell´s experimentally determined fate in single cell-derived growth and antibiotic susceptibility analysis. By applying CPPT on Staphylococcus aureus we phenotypically characterized dormant cells, exposed bimodal growth patterns in colony-derived cells and revealed different culturability of single cells on solid compared to liquid media. We demonstrate that a fluorescent vancomycin conjugate marks cellular subpopulations of vancomycin-intermediate S. aureus with increased likelihood to survive antibiotic exposure, showcasing the value of CPPT for discovery of clinically relevant biomarkers.
The interaction between plastics and microalgae affects community assembly and nutrient availability
Authors: Binda Gilberto , Carnati Stefano , Costa Margarida , Hostyeva Vladyslava , Leu Eva , Skjelbred Birger , Spanu Davide , Šupraha Luka , Trotta Sara , Vogelsang Christian , Nizzetto Luca
Published: October 2024

The presence of plastics and microplastics in water environments has raised concerns for potential negative impacts. The broader ecological implications for ecosystem functioning are, however, still unknown. The interaction between phytoplankton community and plastics has, for example, been overlooked. Here, we investigated the role of plastic as a substrate for biofilm growth and how this affects the dispersal of terrestrial microalgae, potentially altering the assembly of pelagic communities. When exposing an artificially assembled microalgae community to pristine and biofouled plastic under laboratory-controlled conditions, we found that only biofouled plastic affected the final community structure and the content of available nutrients in water. This is due to the exchanged algal species between the biofilm and the pelagic community. The results from this batchwise pilot scale study indicate that plastic can act as a substrate for benthic and pelagic species, potentially affecting ecosystem functions, which have been overlooked so far.
Genome-wide analysis tracks the emergence of intraspecific polyploids in Phragmites australis
Authors: Wang Cui , Liu Lele , Yin Meiqi , Eller Franziska , Brix Hans , Wang Tong , Salojärvi Jarkko , Guo Weihua
Published: October 2024

Polyploidization plays an important role in plant speciation and adaptation. To address the role of polyploidization in grass diversification, we studied Phragmites australis, an invasive species with intraspecific variation in chromosome numbers ranging from 2n = 36 to 144. We utilized a combined analysis of ploidy estimation, phylogeny, population genetics and model simulations to investigate the evolution of P. australis. Using restriction site-associated DNA sequencing (RAD-seq), we conducted a genome-wide analysis of 88 individuals sourced from diverse populations worldwide, revealing the presence of six distinct intraspecific lineages with extensive genetic admixture. Each lineage was characterized by a specific ploidy level, predominantly tetraploid or octoploid, indicative of multiple independent polyploidization events. The population size of each lineage has declined moderately in history while remaining large, except for the North American native and the US Land types, which experienced constant population size contraction throughout their history. Our investigation did not identify direct association between polyploidization events and grass invasions. Nonetheless, we observed octoploid and hexaploid lineages at contact zones in Romania, Hungary, and South Africa, suggestively due to genomic conflicts arising from allotetraploid parental lineages.
Modeled temperature, mortality impact and external benefits of cool roofs and rooftop photovoltaics in London
Authors: Simpson Charles H. , Brousse Oscar , Taylor Tim , Grellier James , Taylor Jonathon , Fleming Lora E. , Davies Mike , Heaviside Clare
Published: October 2024

Population exposure to high temperatures poses health risks and increases mortality. ‘Cool roofs’ (high-albedo roofs) and rooftop photovoltaics (RPV) may reduce temperatures in urban areas. Here, using advanced urban climate modeling, we model impacts of these measures on air temperature and heat-related mortality in London during the record-breaking hot summer of 2018. We estimate changes in mean near-surface air temperature of −0.3 °C in the RPV scenario and −0.8 °C in the cool roof scenario. We find that the heat-related mortality in this period (estimated 655–920) could have been reduced by 96 (12%) by RPV, or 249 (32%) by cool roofs, in scenarios where all roofs have these measures. Monetized using value of statistical life, we estimate benefits for RPV and cool roofs of £237 M and £615 M, respectively. We estimate that up to 20 TWh of electrical energy would be generated in the full RPV scenario. We show that, for conditions such as in London June–August 2018, RPV or cool roofs may reduce near-surface air temperatures and associated heat-related mortality, with cool roofs having a larger effect.
Scalability challenges of machine learning models for estimating walking and cycling volumes in large networks
Authors: Saberi Meead , Lilasathapornkit Tanapon
Published: October 2024

This study explores the scalability of machine learning models for estimating walking and cycling volumes across the extensive New South Wales (NSW) Six Cities Region in Australia using mobile phone and crowdsourced data. Previous research has focused on localized applications, missing the complexities of larger networks. The research addresses this gap by identifying unique challenges such as the scarcity and representativeness of observed count data, gaps in the crowdsourced and mobile phone data, and inconsistencies in link-level volume estimates. We propose and demonstrate the application of strategies like enhancing geographical diversity of observed count data and employing an extensive cross-validation approach in model training and testing. By leveraging various auxiliary datasets, the study demonstrates the effectiveness of these strategies in improving model performance. These findings provide valuable insights for transportation modelers, policymakers, and urban planners, offering a robust framework for supporting sustainable transportation infrastructure and policies with advanced data-driven methodologies.
Unsupervised pattern recognition on the surface of simulated metal nanoparticles for catalytic applications
Authors: Ting Jonathan Y. C. , Opletal George , Barnard Amanda S.
Published: October 2024

The structural patterns and catalytic activities of the surface atoms of simulated metal nanoparticles are characterised by an automatable data-driven unsupervised machine learning approach.
Synergistic impacts of nanopollutants (nZnO) and hypoxia on bioenergetics and metabolic homeostasis in a marine bivalve Mytilus edulis
Authors: Wu Fangli , Sokolov Eugene P. , Timm Stefan , Sokolova Inna M.
Published: October 2024

nZnO exposure disrupts metabolism and delays post-hypoxic recovery in mussels.
Multi-reference coupled cluster theory using the normal ordered exponential ansatz
Authors: Gunasekera Alexander D. , Lee Nicholas , Tew David P.
Published: October 2024

We examine Lindgren's normal-ordered exponential ansatz to correlate specific spin states using spin-free excitation operators, with the aid of automatic equation generation software.
Uncovering interfacial electron transfer kinetics of WO3 biophotoelectrodes for food waste treatment
Authors: Mak Chun Hong , Peng Yong , Chong Man Hin , Mou Jinhua , Jia Guohua , Santoso Shella Permatasari , Niu Wenxin , Lee Duu-Jong , Yu Chang-Ping , Lin Carol Sze Ki , Hsu Hsien-Yi
Published: October 2024

Boosting food waste degradation using a solar-assisted microbial photoelectrochemical cell (S-MPEC), integrating bacteria with semiconductors, achieving high efficiency and power density, is promising for sustainable urban waste management.
ZnO vapor phase infiltration into photo-patternable polyacrylate networks for the microfabrication of hybrid organic–inorganic structures
Authors: Demelius Lisanne , Zhang Li , Coclite Anna Maria , Losego Mark D.
Published: October 2024

The incorporation of inorganics into a patterned polymer can generate many new interesting properties in microfabricated structures.
A dual functional Cu(ii)-coordination polymer and its rGO composite for selective solvent detection and high performance energy storage
Authors: Basree  , Waris  , Ali Arif , Khan Nishat , Khan Mohammad Zain , Nayak Ganesh Chandra , Siddiqui Kafeel Ahmad , Ahmad Musheer
Published: October 2024

A 1D coordination polymer (CP-1) works as a remarkable detector of zinc ions as well as DMF analytes. Interestingly, the fabricated CP-1 and its composite (rGO@CP-1) also shows better energy storage applications with good cycling stability.
Electrostatic interactions and structural transformations in viral shells
Authors: Golushko Ivan Yu. , Roshal Daria S. , Konevtsova Olga V. , Rochal Sergei B. , Podgornik Rudolf
Published: October 2024

Considering the simplest energy of electrostatic interactions between proteins together with the mechanical energy of the continuum shell, one can model various structural transformations possible in viral capsids.
A type-I van der Waals heterostructure formed by monolayer WS2 and trilayer PdSe2
Authors: Li Guili , Zhang Xiaoxian , Wang Yongsheng , Liu XiaoJing , Ren FangYing , He Jiaqi , He Dawei , Zhao Hui
Published: October 2024

Two-dimensional (2D) heterostructures, formed by stacking 2D semiconductors through the van der Waals force, have been extensively studied recently.
Review of molecular dynamics simulations in laser-based micro/nano-fabrication
Authors: Liu Hao , Xie Wanda , Ding Ye , Chen Ke , Wang Shuiwang , Huo Haodong , Yang Lijun
Published: October 2024

This review provides a comprehensive examination of the application of Molecular Dynamics (MD) simulations in laser-based micro/nano fabrication.
Inhibition of cytotoxic self-assembly of HEWL through promoting fibrillation by new synthesized α-hydroxycarbamoylphosphinic acids
Authors: Mahdavimehr Mohsen , Kaboudin Babak , Alaie Saied , Tondkar Farimah , Eshkaftaki Zahra Mahmoudi , Ebrahim-Habibi Mohammad-Bagher , Ghashghaee Mojtaba , Tahmasebi Elham , Zhang Tianjian , Gu Yanlong , Meratan Ali Akbar
Published: October 2024

New synthesized α-hydroxycarbamoylphosphinic acids are potent modulator of HEWL amyloid fibrillation. Shortening of the nucleation phase of HEWL leading to the acceleration of fibrillation is the proposed mechanism of action of these compounds.
Novel environmental applications of green tea: sensing and remediation of Ag+ in aqueous system
Authors: Doi Ankita , Ganguly Mainak , Sharma Priyanka
Published: October 2024

The strong fluorescence of green tea was quenched with Fe3+ and enhanced with Ag+.
A solvent-selection strategy for the hydrogenation reaction inside a tubular-flow reactor through a statistical approach
Authors: Wahyudianto Benny , Yamaki Takehiro , Hara Nobuo , Takebayashi Yoshihiro , Kataoka Sho
Published: October 2024

Solvent selection is crucial for optimizing reaction outcomes of various reactions.
A silylboronate-mediated strategy for cross-coupling of alkyl fluorides with aryl alkanes: mechanistic insights and scope expansion
Authors: Zhou Jun , Zhao Zhengyu , Kiyono Tatsuki , Matsuno Ayaka , Escorihuela Jorge , Shibata Norio
Published: October 2024

The silylboronate-mediated cross-coupling strategy enabled efficient formation of C(sp3)–C(sp3) bonds between alkyl fluorides and aryl alkanes via C–F bond cleavage under mild conditions.
Palladium and copper co-catalyzed chloro-arylation of gem-difluorostyrenes – use of a nitrite additive to suppress β-F elimination
Authors: Intelli Andrew J. , Wayment Coriantumr Z. , Lee Ryan T. , Yuan Kedong , Altman Ryan A.
Published: October 2024

Pd/Cu co-catalyze a chloro-arylation reaction of gem-difluorostyrenes with aryl sulfonyl chlorides. In this reaction the use of a nitrite additive avoids a kinetically favorable β-F elimination process.
Isotropic negative thermal expansion of a Li1.3Al0.3Ti1.7(PO4)3 solid-state electrolyte
Authors: Ghosh Sayan , Sudakar C.
Published: October 2024

Li1.3Al0.3Ti1.7(PO4)3 shows an isotropic negative thermal expansion (NTE) between 93 K to 350 K. A decrease in Li–O bond length in the distorted LiO6 along the c-axis and bond angle change in Ti–O–P are found to be the major contribution for NTE.
Why does Y6 with bulk charge photogeneration and bipolar charge transport properties still fail in non-heterojunction organic photovoltaics?
Authors: Xie Yuhao , Cui Yu , Paraschuk Dmitry Yu. , Ma Wei , Yan Han
Published: October 2024

The JSC loss in non-heterojunction organic solar cells is discussed. The 0.65 eV energy barrier hinders the spontaneous charge photogeneration, while unbalanced mobility further decays JSC to nearly one percent of its theoretical limit.
CeO2-regulated NiCoOOH formed via electrocatalytic self-reconstruction of NiCoCe-MOFs for efficient electro-oxidation of 5-hydroxymethylfurfural
Authors: Pan Hao , Zhao Gongchi , Hai Guangtong , Peng Baoxiang , Gao Fengyu , Zhang Cheng , Wang Yan , Huang Xiubing
Published: October 2024

CeO2/NiCoOOH was fabricated by self-reconstruction of NiCoCe-MOF. CeO2 acts as an ‘electron trap’, refining the electronic configuration of NiCoOOH, expediting the electron transfer kinetics and improving the electrocatalytic performance.
Explaining the EC–PC disparity in Li-ion batteries: how interface stiffness governs SEI formation on graphite
Authors: Luchkin Sergey Yu. , Pazhetnov Egor M.
Published: October 2024

This study offers a novel perspective on the longstanding EC–PC disparity in Li-ion batteries, considering differences in the melting temperatures of the solvents as the main factor.
Bioactive glass–polymer nanocomposites: a comprehensive review on unveiling their biomedical applications
Authors: Sreena Radhakrishnan , Raman Gurusamy , Manivasagam Geetha , Nathanael A. Joseph
Published: October 2024

A comprehensive overview of bioactive glass–polymer nanocomposites highlighting the various fabrication strategies, the materials involved and the major biomedical applications.
High-temperature emulsification coupled with low-temperature gelation for fabrication of agarose microsphere implants with well-controlled size for skin tissue enhancement
Authors: Wang Qi , Yan Huiyu , Guo Ying , Tian Bei , Xiao Jianxi
Published: October 2024

Agarose offers self-gelation, biodegradability, and biocompatibility. We have developed a high-temperature emulsification followed by low-temperature gelation method to create agarose microsphere implants for skin tissue augmentation.
Phase-separated structures of tunable thermoresponsive and matrix polymers for large-scale temperature monitoring coatings
Authors: Shibata Risako , Matsuda Satoru , Kawakubo Hirofumi , Imai Hiroaki , Oaki Yuya
Published: October 2024

Layered polydiacetylene (PDA) exhibits a thermoresponsive color change. The thermoresponsivity and large-scale coatability are controlled for medical applications by the intercalated guests and matrix polymer, respectively.
Crystallization ripening and erosion of calcium oxalate under the effect of bacteria and a polymer materials surface
Authors: Shen Xiran , Chen Wentao , Guo Li , Li Huayu , Chen Hong , Liu Fan
Published: October 2024

New insights into the role of bacteria in pathological biomineralization inspire novel anti-encrustation polymer material design for biomedical use.
Interfacial self-assembly of a rigid-flexible terpyridine-Fe(ii) supramolecular film and the electrochromic performance of its solid-state devices
Authors: Sun Xiaomeng , Cheng Xinfeng , Chen Xiya , Wang Hongwei , Zhao Qian , Yang Chunxia , Du Xianchao , Xing Xiaojing , Qiu Dongfang
Published: October 2024

A large-sized solid-state device, prepared by Fe2+-induced interfacial self-assembly of the three-arm TPY ligand L with flexible methylenoxyl groups, showed a reversible color change from purple to light yellow with good electrochromic parameters.
A sequential artificial light-harvesting system based on a metallacycle for sensitive detection of biothiols
Authors: Zhang Dengqing , Jiang Bei , Yang Jie , Liu Senkun , Yang Xiang , Ma Ke , Yuan Xiaojuan , Liu Lingyan , Yi Tao
Published: October 2024

A cascaded artificial light-harvesting system based on the platinum(ii) metallacycle was constructed, which displayed high sensitivity and specificity for biothiols.
Identification of dominant instability modes in power systems based on spatial‐temporal feature mining and TSOA optimization
Authors: Yu Miao , Sun Jianqun , Tian Shuoshuo , Zhang Shouzhi , Wei Jingjing , Wu Yixiao
Published: October 2024

The recognition of the transient dominant instability mode is of great significance for rapidly and accurately formulating transient emergency decisions in power systems. In response to the challenge of accurately distinguishing between angle instability and voltage instability, which are coupled in actual power grids, this paper explores the mapping relationship between simulation data and the stable state of the system, as well as the dominant instability mode. The method enables real‐time identification of the dominant instability mode, which bypasses complex physical mechanisms. Firstly, spatio‐temporal feature mining is conducted, where convolutional neural networks are employed to learn crucial local features of transient curves, and bidirectional gated recurrent unit s utilized to learn transient features over time sequences. Next, a multihead attention mechanism is introduced to enhance sensitivity to important time steps in the sequence data. Finally, the transit search optimization algorithm optimizes the global model parameters, further increasing the accuracy of the model. Using the IEEE 10‐machine and 39‐node system as an example for simulation, the results validate that the proposed method exhibits significant advantages in terms of accuracy and applicability compared with other machine learning methods.
Prescribed‐time resilient current‐sensorless DC power converter control
Authors: Homayounzadeh Maryam , Homayounzade Mohamadreza , Khooban Mohammad‐Hassan
Published: October 2024

While conventional control techniques for stabilizing power electronic converters with constant‐power load (CPL) often rely on complete system state information, the associated challenges, including the cost and increased size due to the installation of multiple sensors, necessitate exploration of alternative methodologies. To address these concerns, a novel observer‐based sliding‐mode control approach is proposed. This approach aims to enhance cost‐effectiveness and reliability in the context of a DC‐DC buck converter supplying power to an unknown CPL. The core concept involves designing a state observer to estimate the system's current based on voltage measurements. A non‐certainty equivalent adaptive update law is then introduced to estimate the unknown CPL, incorporating feedback from voltage measurements and current estimation. To guarantee stability in the face of uncertainties in system parameters, a thorough analysis utilizing the Lyapunov theorem is conducted on the closed‐loop system. The efficacy and feasibility of the proposed control algorithm are substantiated through experimental results on the OPAL‐RT platform, showcasing its promising performance.
Quasi‐Z‐source interleaved DC‐DC converter for fuel cell vehicle application
Authors: Rashid Reza , Baghramian Alfred , Mojallali Hamed
Published: October 2024

In this study, a step‐up DC‐DC converter with a combination of a two‐phase interleaved structure and a quasi‐Z impedance network is proposed for fuel cell vehicle application. The operation of the converter in a small duty cycle (0 < D < 0.5) reduces the conductive losses of the switches and as a result increases the efficiency of this converter compared to conventional boost converters. Also, due to the common ground between the input and output, unlike the floating interleaved boost converter (FIBC) and the parallel input‐series output converter (PISO), it does not face the problem of imposing additional EMI on the converter circuit. This converter has a low input current ripple, suitable voltage gain for fuel cell vehicles system, as well as high reliability due to the ability to operate with one phase in case of failure in the other phase. It can be a suitable candidate for practical application in fuel cell vehicles. The principles of operation and the main characteristics of the converter such as voltage gain, input current ripple, and voltage and current stress of the elements are explained and also a 120‐W experimental prototype with 12‐V input voltage and 60‐V output voltage is made to validate the theoretical analysis results.
Cooperative attack strategy during the terminal guidance phase for loitering munitions based on impact angle and impact time constraints
Authors: ZHAO Junmin , WANG Ronggang , LI Xinguo , ZHANG Dong
Published: October 2024

In order to solve the cooperative attack problem during the terminal guidance phase for loitering munition swarm, a cooperative attack strategy for loitering munitions with impact angle constraints is proposed. By using the small deviation method, an offset proportional guidance law with impact angle constraints is derived in order to solve the problem of directional strike in the longitudinal plane. Combining with the present guidance scheme, a method for estimating the remaining time of proportional control and angle control is derived. In the lateral plane, a time control bias term with time-varying coefficients and no singularity in the division of zero is designed to solve the time control problem. In addition, taking the remaining time as the coordination variable, a two-layer cooperative architecture is used to solve the problem of coordinated directional strike of multiple loitering munitions. The simulation results show that the cooperative guidance strategy has a good performance of impact angle control and cooperative attack for low-speed loitering munitions.
Flight situational assessment based on complex network and MFIM-TOPSIS
Authors: PENG Yating , WEN Xiangxi , WU Minggong , ZHU Deshan , DING Li
Published: October 2024

In order to objectively and accurately assess the airborne flight posture in the trajectory-based operation (TBO) mode, a flight posture assessment method based on complex network and MFIM-TOPSIS is proposed. Firstly, the precise protection zone of different aircraft types is established by analyzing the risk of lateral collision between aircraft, and the flight conflict network is constructed by using the three-dimensional velocity barrier method, which is close to the TBO air operation environment, based on which six network topology indexes, such as total node degree, average point strength and network density, are selected to build the flight attitude assessment index system. To weaken the influence of the assessment subjectivity, an interaction matrix that can reflect subjective factors-objective factors is proposed. The maximum information coefficient is used to improve the coding of interaction matrix. Finally the flight attitude level status is assessed by using the superiority-disadvantage solution distance method. The simulation analysis and the example analysis of Takasaki Airport show that the evaluation model can accurately assess the air traffic situation and provide auxiliary information for controllers' decision making and command.
Study on thermal analysis simulation and test of propellant refueling process for optical module
Authors: LU Wei , ZHANG Ningli , WANG Shuai , FENG Maolong , FAN Hanlin
Published: October 2024

Propellant refueling is important for long-term operation of the optical module in orbit. However, its thermal environment is harsher than on previous missions. Therefore, thermal control of the entire process is required. In order to solve the complex heat transfer of propellant refueling process, an integrated thermal model is established, which includes all the equipment such as the compressor, liquid cooler and loop heat pipe. The thermal analysis simulation and system-level thermal tests is presented. Firstly, the heat transfer relationship and temperature variation are analyzed by comparing the results of transient thermal analysis and thermal test in high and low temperature conditions. Then, a variable thermal conductivity simulation method is studied for the transient process from inoperative to operative of the vertical heat pipe due to gravitational factors in the thermal test. Finally, an optimized design scheme for high temperature refueling is proposed and pre-demonstrated in orbit. The results indicate that the transient simulation results are in a good agreement with the test results under the high and low temperatures, which verifies the accuracy and validity of the analysis method and simulation model. When preheating the compressor and starting two sets of loop heat pipes during on-orbit refueling, the maximum temperature of compressor is below 34.1°C, and the total power consumption of preheating is 50 Wh, which meet the design requirement. The investigation provides an important reference for designing the propellant refueling process in the docking of the optical module to the China Space Station (CSS).
Data management of X bill of material of missile and rocket products based on digital thread
Authors: FENG Yunwen , CHEN Junyu , HOU Jieran , LU Cheng , LIU Wanyi
Published: October 2024

The X bill of material (XBOM) of a missile and rocket product is a comprehensive and basic support document produced by a multi-stakeholder that considers structural composition, data information and interactional processes in different life stages. The XBOM data management of missile and rocket products coordinates the data organization and control in the whole life cycle, eliminates the interactional disconnection and one-way transmission between related parties, business and data in different life stages and provides effective data source support for the full digital model supply. To meet the requirements of organic integration and multi-party collaboration, this paper proposes the XBOM data management method based on digital thread. Firstly, the digital thread framework is analyzed, and the XBOM data management architecture based on the digital thread is proposed and established. Secondly, guided by the hierarchy of "data-interaction-modeling-application", the XBOM data management method for the missile and rocket product are developed, including data organization, data relational analysis, data modeling and data application. Finally, the structural system of a certain model of carrier rocket is studied, and the XBOM data management system based on digital thread is developed and its application is validated.
Molecular characterization of common zoonotic protozoan parasites and bacteria causing diarrhea in dairy calves in Ningxia Hui Autonomous Region, China
Authors: Zhao Jia-Qi , Fan Ying-Ying , Lei Yun-Duan , Liu Ding , Wang Jun-Wei , Yang Xin , Song Jun-Ke , Zhao Guang-Hui
Published: October 2024

Diarrhea caused by zoonotic pathogens is one of the most common diseases in dairy calves, threatening the health of young animals. Humans are also at risk, in particular children. To explore the pathogens causing diarrhea in dairy calves, the present study applied PCR-based sequencing tools to investigate the occurrence and molecular characteristics of three parasites (Cryptosporidium spp., Giardia duodenalis, and Enterocytozoon bieneusi) and three bacterial pathogens (Escherichia coli, Clostridium perfringens, and Salmonella spp.) in 343 fecal samples of diarrheic dairy calves from five farms in Lingwu County, Ningxia Hui Autonomous Region, China. The total positive rate of these pathogens in diarrheic dairy calves was 91.0% (312/343; 95% CI, 87.9–94.0), with C. perfringens (61.5%, 211/343; 95% CI, 56.3–66.7) being the dominant one. Co-infection with two to five pathogens was found in 67.3% (231/343; 95% CI, 62.4–72.3) of investigated samples. There were significant differences (p < 0.05) in the positive rates of Cryptosporidium spp. and diarrheagenic E. coli among farms, age groups, and seasons. Two Cryptosporidium species (C. parvum and C. bovis) and five gp60 subtypes of C. parvum (IIdA15G1, IIdA20G1, IIdA19G1, IIdA14G1, and a novel IIdA13G1) were identified. Two assemblages (assemblage E and zoonotic assemblage A) of G. duodenalis and six ITS genotypes of E. bieneusi (J, Henan-IV, EbpC, I, EbpA, and ESH-01) were observed. Four virulence genes (eaeA, stx1, stx2, and st) of diarrheagenic E. coli and one toxin type (type A) of C. perfringens were detected. Our study enriches our knowledge on the characteristics and zoonotic potential of diarrhea-related pathogens in dairy calves.
Pleuramesotheliom: Tumordicke als Prädiktor für Remission und Überleben
Authors: Ruchalla Elke
Published: October 2024

Maligne Pleuramesotheliome treten zwar selten auf, stellen aber hochaggressive Tumoren mit schlechter Prognose dar. Bis vor Kurzem existierten nur wenige Untersuchungen zu verschiedenen systemischen Therapien, bis vor einiger Zeit die Check-Mate-743-Studie bei Pleuramesotheliomen Immuncheckpoint-Inhibitoren mit einer klassischen Chemotherapie (Platin/Pemetrexed) verglich.