bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chondroitin sulfate proteoglycan promotes APRIL‐induced tumor cell proliferation
Authors: Nadanaka Satomi , Koike Toshiyasu , Kitagawa Hiroshi 
Published: January 2024

AbstractA proliferation‐inducing ligand (APRIL), a member of the tumor necrosis factor superfamily, affects the survival and proliferation of tumor cells. Understanding the mechanism of action of APRIL in tumor cells, including intracellular signaling, is important for its potential use in diagnostics and prognosis. It has been shown that APRIL‐induced tumor proliferation requires heparan sulfate (HS) proteoglycans to mediate the binding of APRIL to tumor cells. Here, we show that chondroitin sulfate (CS) proteoglycan mainly contributes to the APRIL‐stimulated proliferation of triple‐negative breast cancer BT‐549 cells. Knockout of chondroitin 4‐O‐sulfotransferase‐1 (C4ST‐1), a key CS biosynthetic enzyme, suppressed APRIL‐induced tumor proliferation, whereas deficiency of exostosin 1 (EXT1), a key HS biosynthetic enzyme, had only weak effects. Molecular interaction analyses using Biacore revealed that although CS did not directly bind to tumor growth through Ca2+ modulator interactor (TACI), it enhanced the binding of APRIL to the APRIL receptor, TACI. The small leucine‐rich proteoglycan, biglycan, plays a pivotal role in tumor growth and progression. Biglycan knockdown inhibited BT‐549 cell proliferation. These results suggest that CS synthesized by C4ST‐1 participates in APRIL signaling and modulates pathological events in tumors.
Insights into the binding mechanism of 2,5‐substituted 4‐pyrone derivatives as therapeutic agents for fused dimeric interactions: A computational study using QTAIM, dynamics and docking simulations of protein–ligand complexes
Authors: Kubaib Attar , Afroze N. Nadeem , Imran Predhanekar Mohamed , Natarajan Prabu , Balu Devipriya , Ansari Anjum 
Published: January 2024

AbstractThe study is focused on examining 2,5‐Substituted 4‐Pyrone based compounds through quantum chemical and topological analysis techniques, evaluating the properties of these compounds, including their geometrical structure, intermolecular interactions and assess their possible applications. Additionally, the molecular stability, charge delocalization and UV‐Visible data was investigated and compared with the calculated energy and oscillator strength using the TD‐DFT approach. The researchers observed that charge transfer occurred within the molecule, indicated by the HOMO and LUMO energies. It was also found that the compound exhibited planarity and higher chemical reactivity. The calculated Mulliken charges and molecular electrostatic potential were used to interpret the Fukui index data that help predict reactive sites and understand the reactivity patterns of specific atoms in a compound. The study is aimed to understand the role of NCI in the molecule under investigation using electron localization functions and localized orbit locator methods. Molecular docking and ADMET studies were conducting involving a detailed MD simulation of a protein‐ligand complex using the OPLS3e force field and the SPC water model. These findings could prove to be beneficial in developing new therapeutic agents with various pharmacological effects and potential toxicities.
The interface effect on the lithiation of silicon/graphene composites: The first principles study
Authors: Wang M. , Yang C. X. , Leng X. Y. , Chen Y. , Yang S. B. , Li W. , Hong W. , Xu Y. 
Published: January 2024

AbstractTo reveal the interaction mechanism between lithium (Li) and silicon/graphene (Si/Gra) interface at the atomic scale, it was calculated that the energy band structure, density of states, charge transfer, radial distribution function and Li diffusion coefficient based on the first principles. The results indicated that the volume expansion of Si was effectively limited by the Si/Gra interface during Li insertion. There appeared the interface effect of Si/Gra on the combination of Li and Si atoms, according to the longer Li‐C (2.9 Å) and the larger electron cloud near the Li atom at the Si/Gra interface. The better diffusion channel for Li atoms was constructed at the Si/Gra interface, due to the lower diffusion energy barrier (0.42–0.44 eV) and higher diffusion coefficient (DLi = 0.784 × 10−4 cm2/s) for Li+ diffusion.
Can sub‐cutaneous drain safely counter debilitating surgical emphysema? A retrospective study in quest for an answer
Authors: Siddiqui Saquib , Falak Umair , Frost Ned , Athar Waseem , Memon Muhammad Haroon Mujtaba , Qazi Asma Zeeshan 
Published: January 2024

AbstractLiterature evidence on sub‐cutaneous drain insertion in severe surgical emphysema (SE) is lacking. We retrospectively reviewed the clinical notes of 5 patients who underwent insertion of sub‐cutaneous drains to manage SE of various aetiologies between September 2022 to August 2023 in a single district general hospital in the UK. Case history, outcome following sub‐cutaneous drain insertion, and side effects due to the procedure were collected. Clinical decompression were noticed within an hour of drain insertion in all patients. Radiological resolution ranged between 2 and 10 days with a median 3 days and mean of 4.8 days. Patients with uni‐lateral sub‐cutaneous drain required more time for radiological improvement than patients on bi‐lateral drains (median 6.5 vs. 2, mean 6.5 vs. 3.6). Maximum duration for resolution was 10 days for patients receiving uni‐lateral sub‐cutaneous drain versus 7 days in patients having bi‐lateral drains. Only one patient had no prior lung disease making it difficult to comment if having healthy lungs affects outcomes. Sub‐cutaneous drain insertion is a safe procedure which can accelerate recovery in severe SE.
Human‐virus protein‐protein interactions maps assist in revealing the pathogenesis of viral infection
Authors: Chen Hui‐Min , Liu Jia‐Xin , Liu Di , Hao Ge‐Fei , Yang Guang‐Fu 
Published: January 2024

AbstractMany significant viral infections have been recorded in human history, which have caused enormous negative impacts worldwide. Human‐virus protein‐protein interactions (PPIs) mediate viral infection and immune processes in the host. The identification, quantification, localization, and construction of human‐virus PPIs maps are critical prerequisites for understanding the biophysical basis of the viral invasion process and characterising the framework for all protein functions. With the technological revolution and the introduction of artificial intelligence, the human‐virus PPIs maps have been expanded rapidly in the past decade and shed light on solving complicated biomedical problems. However, there is still a lack of prospective insight into the field. In this work, we comprehensively review and compare the effectiveness, potential, and limitations of diverse approaches for constructing large‐scale PPIs maps in human‐virus, including experimental methods based on biophysics and biochemistry, databases of human‐virus PPIs, computational methods based on artificial intelligence, and tools for visualising PPIs maps. The work aims to provide a toolbox for researchers, hoping to better assist in deciphering the relationship between humans and viruses.
Fixed‐time stabilization with a prescribed constant settling time by static feedback for delay‐free and input delay systems
Authors: Polyakov Andrey , Krstic Miroslav 
Published: January 2024

AbstractA static nonlinear homogeneous feedback for a fixed‐time stabilization of a linear time‐invariant (LTI) system is designed in such a way that the settling time is assigned exactly to a prescribed constant for all nonzero initial conditions. The constant convergence time is achieved due to a dependence of the feedback gain of the initial state of the system. The robustness of the closed‐loop system with respect to measurement noise and exogenous perturbations is studied using the concept of Input‐to‐State Stability. Both delay‐free and input delay systems are considered. Theoretical results are illustrated by numerical simulations.
Finite‐time command filter control for dynamic positioning of remotely operated vehicles based on disturbance observer
Authors: Tang Jun , Qin Yanxia , Dang Zhaokai 
Published: January 2024

AbstractTo deal with the problems of low positioning accuracy and poor stability caused by model parameter uncertainty and external disturbances in the remotely operated vehicle (ROV) dynamic positioning control system, the adaptive fuzzy control is combined with a disturbance observer to estimate the lumped disturbances and the error compensation mechanism is introduced to design the ROV dynamic positioning controller based on the finite‐time command filter. The combination of finite‐time command filter control and the backstepping method ensures that the positioning error converges to a smaller neighborhood near zero in finite time. The stability of the closed‐loop system is demonstrated according to the Lyapunov stability theory. The simulation results show that a 13% performance improvement over traditional backstepping methods is achieved by the designed controller, effectively suppressing system lumped disturbances and achieving fast and accurate positioning of the desired positions.
A Quantum Chemical Study on the Mechanisms of Acylpyrrolylacetylenes Reactions With 1‐Pyrrolines
Authors: Kobychev Vladimir B. , Absalyamov Damir Z. , Oparina Ludmila A. , Trofimov Boris A. 
Published: January 2024

AbstractThe mechanisms of reactions between electron‐deficient acetylenes, specifically acylpyrrolylacetylenes, and 1‐pyrrolines were examined using a DFT B2PLYP‐D3/6‐311++G**//B3LYP/6‐31+G* approach. The study was focused on the interaction of 1‐phenyl‐3‐(1H‐pyrrol‐2‐yl) prop‐2‐yn‐1‐one with 5‐methyl‐3,4‐dihydro‐2H‐pyrrole, and was aimed at a clearer understanding of the reaction progress. The reaction pathway for the synthesis of a dipyrroloimidazole derivative comprising three five‐membered nitrogen‐containing heterocycles is compared to one typical for N‐substituted acylethynylpyrroles, which involves opening the pyrroline ring to form δ‐keto aminoenones. An explanation is presented for the high level of deuterium exchange during the reaction in deuterated methanol. Also, the impact of trace water in acetonitrile was assessed. A ring‐opening mechanism is proposed, involving the 1‐pyrroline molecule as a base. The photochemical isomerization process of the end product is also examined.
Unveiling Liquid‐Phase Exfoliation of Graphite and Boron Nitride Using Fluorescent Dyes Through Combined Experiments and Simulations
Authors: He Yilin , Qian Xuliang , da Silva Guilherme Carneiro Queiroz , Gabellini Cristian , Lucherelli Matteo Andrea , Biagiotti Giacomo , Richichi Barbara , Ménard‐Moyon Cécilia , Gao Huajian , Posocco Paola , Bianco Alberto 
Published: January 2024

AbstractLiquid‐phase exfoliation (LPE) in aqueous solutions provides a simple, scalable, and green approach to produce 2D materials. By combining atomistic simulations with exfoliation experiments, the interaction between a surfactant and a 2D layer at the molecular scale can be better understood. In this work, two different dyes, corresponding to rhodamine B base (Rbb) and to a phenylboronic acid BODIPY (PBA‐BODIPY) derivative, are employed as dispersants to exfoliate graphene and hexagonal boron nitride (hBN) through sonication‐assisted LPE. The exfoliated 2D sheets, mostly as few‐layers, exhibit good quality and high loading of dyes. Using molecular dynamics (MD) simulations, the binding free energies are calculated and the arrangement of both dyes on the layers are predicted. It has been found that the dyes show a higher affinity toward hBN than graphene, which is consistent with the higher yields of exfoliated hBN. Furthermore, it is demonstrated that the adsorption behavior of Rbb molecules on graphene and hBN is quite different compared to PBA‐BODIPY.
An Untethered Soft Crawling Robot Driven by Wireless Power Transfer Technology
Authors: Han Lei , Si Jiawei , Guo Miaomiao , Wang Rui , Wang Kai , Yang Jin , Wang Ziyuan , Yang Xiaohan 
Published: January 2024

AbstractSoft robots based on flexible materials have attracted the attention due to high flexibility and great environmental adaptability. Among the common driving modes, electricity, light, and magnetism have the limitations of wiring, poor penetration capability, and sophisticated equipment, respectively. Here, an emerging wireless driving mode is proposed for the soft crawling robot based on wireless power transfer (WPT) technology. The receiving coil at the robot's tail, as an energy transfer station, receives energy from the transmitting coil and supplies the electrothermal responsiveness to drive the robot's crawling. By regulating the WPT's duration to control the friction between the robot and the ground, bidirectional crawling is realized. Furthermore, the receiving coil is also employed as a sensory organ to equip the robot with localization, ID recognition, and sensing capabilities based on electromagnetic coupling. This work provides an innovative and promising strategy for the design and integration of soft crawling robots, exhibiting great potential in the field of intelligent robots.
Recent Progress in Anti‐Tumor Nanodrugs Based on Tumor Microenvironment Redox Regulation
Authors: Yao Lan , Zhu Xiang , Shan Yunyi , Zhang Liang , Yao Jing , Xiong Hui 
Published: January 2024

AbstractThe growth state of tumor cells is strictly affected by the specific abnormal redox status of the tumor microenvironment (TME). Moreover, redox reactions at the biological level are also central and fundamental to essential energy metabolism reactions in tumors. Accordingly, anti‐tumor nanodrugs targeting the disruption of this abnormal redox homeostasis have become one of the hot spots in the field of nanodrugs research due to the effectiveness of TME modulation and anti‐tumor efficiency mediated by redox interference. This review discusses the latest research results of nanodrugs in anti‐tumor therapy, which regulate the levels of oxidants or reductants in TME through a variety of therapeutic strategies, ultimately breaking the original “stable” redox state of the TME and promoting tumor cell death. With the gradual deepening of study on the redox state of TME and the vigorous development of nanomaterials, it is expected that more anti‐tumor nano drugs based on tumor redox microenvironment regulation will be designed and even applied clinically.
Stability of Ni–Fe‐Layered Double Hydroxide Under Long‐Term Operation in AEM Water Electrolysis
Authors: Galkina Irina , Faid Alaa Y. , Jiang Wulyu , Scheepers Fabian , Borowski Patrick , Sunde Svein , Shviro Meital , Lehnert Werner , Mechler Anna K. 
Published: January 2024

AbstractAnion exchange membrane water electrolysis (AEMWE) is an attractive method for green hydrogen production. It allows the use of non‐platinum group metal catalysts and can achieve performance comparable to proton exchange membrane water electrolyzers due to recent technological advances. While current systems already show high performances with available materials, research gaps remain in understanding electrode durability and degradation behavior. In this study, the performance and degradation tracking of a Ni3Fe–LDH‐based single‐cell is implemented and investigated through the correlation of electrochemical data using chemical and physical characterization methods. A performance stability of 1000 h, with a degradation rate of 84 µV h−1 at 1 A cm−2 is achieved, presenting the Ni3Fe−LDH‐based cell as a stable and cost‐attractive AEMWE system. The results show that the conductivity of the formed Ni‐Fe‐phase is one key to obtaining high electrolyzer performance and that, despite Fe leaching, change in anion‐conducting binder compound, and morphological changes inside the catalyst bulk, the Ni3Fe−LDH‐based single‐cells demonstrate high performance and durability. The work reveals the importance of longer stability tests and presents a holistic approach of electrochemical tracking and post‐mortem analysis that offers a guideline for investigating electrode degradation behavior over extended measurement periods.
Designing External Pores of Aluminum Oxo Polyhedrons for Efficient Iodine Capture
Authors: Yang Ning , Wang San‐Tai , Li Chun‐Sen , Zhang Jian , Zhang Min‐Yi , Fang Wei‐Hui 
Published: January 2024

AbstractAlthough metal–organic polyhedra (MOPs) expansion has been studied to date, it is still a rare occurrence for their porous intermolecular assembly for iodine capture. The major limitation is the lack of programmable and controllable methods for effectively constructing and utilizing the exterior cavities. Herein, the goal of programmable porous intermolecular assembly is realized in the first family of aluminum oxo polyhedrons (AlOPs) using ligands with directional H‐bonding donor/acceptor pairs and auxiliary alcohols as structural regulation sites. The approach has the advantage of avoiding the use of expensive edge‐directed ditopic and face‐directed tritopic ligands in the general synthesis strategy of MOPs. Combining theoretical calculations and experiments, the intrinsic relationship is revealed between alcohol ligands and the growth mechanism of AlOPs. The maximum I2 uptake based on the mass gain during sorption corresponds to 2.35 g g−1, representing the highest reported I2 sorption by an MOP. In addition, it can be easily regenerated and maintained the iodine sorption capacity, revealing its further potential application. This method of constructing stable and programmable porous materials will provide a new way to solve problems such as radionuclide capture.
Zn Anode Surviving Extremely Corrosive Polybromide Environment with Alginate‐Graphene Oxide Hydrogel Coating
Authors: Lin Shiyu , Li Minghao , Wang Guotao , Wang Chao , Yang Han , Wang Zhoulu , Zhang Yi , Liu Xiang , Bae Jinhye , Wu Yutong 
Published: January 2024

AbstractZinc–bromine (Zn‐Br) redox provides a high energy density and low‐cost option for next‐generation energy storage systems, and polybromide diffusion remains a major issue leading to Zn anode corrosion, dendrite growth, battery self‐discharge and limited electrochemical performance. A dual‐functional Alginate‐Graphene Oxide (AGO) hydrogel coating is proposed to prevent polybromide corrosion and suppress dendrite growth in Zn–Br batteries through negatively charged carboxyl groups and enhanced mechanical properties. The battery with anode of plain zinc coated with AGO (Zn]AGO) survives a severely corrosive environment with higher polybromide concentration than usual without a membrane, and achieves 80 cycles with 100% Coulombic and 80.65% energy efficiencies, four times compared to plain Zn anode. The promising performance is comparable to typical Zn–Br batteries using physical membranes, and the AGO coating concept can be well adapted to various Zn–Br systems to promote their applications.
Metal‐organic framework‐based nanofibrous film for two different modes of triboelectric nanogenerators
Authors: Tabassian Rassoul , Rajabi‐Abhari Araz , Mahato Manmatha , Yoo Hyunjoon , Yoon Hong Yeon , Park Jeong Young , Oh Il‐Kwon 
Published: January 2024

AbstractMetal‐organic frameworks (MOFs) are nanomaterials with engineered chemical structures, offering remarkable properties. However, their limited film‐formation capability hinders their integration into triboelectric nanogenerators (TENGs). This study proposes a simple yet effective solution to overcome this challenge by employing electrospinning techniques to integrate the zeolitic imidazolate framework (ZIF‐8) into an easy‐to‐use nanofibrous mat. ZIF‐8 has high surface potential, a unique cubical structure, and an easy fabrication process that makes it an ideal material for TENGs. By incorporating ZIF‐8 into the electrospinning solution, significant improvements are achieved in the electropositivity of the resulting nanofibers. It leads to notable changes in the shape, morphology, and roughness of electrospun fibers, consequently enhancing the overall performance of the TENG. The results indicate that utilizing the ZIF‐based electrospun mat as a tribo‐positive material can increase transferred charges between electrodes by more than 100%. Utilizing the MOF‐based nanofibrous mat, this study also introduces a novel rotary TENG that works based on a mode of TENG operation called rolling mode. The reliable charge generation by the proposed rolling system reveals that this mode of TENG operation could be a superb alternative for traditional TENG modes, like contact/separation or sliding, which cause high levels of mechanical stress due to harsh physical impact or friction.
A novel instance‐based method for cross‐project just‐in‐time defect prediction
Authors: Zhu Xiaoyan , Qiu Tian , Wang Jiayin , Lai Xin 
Published: January 2024

SummaryCross‐project (CP) just‐in‐time software defect prediction (JIT‐SDP) uses CP data to overcome initial data scarcity for training high‐performing JIT‐SDP classifiers in the early stages of software projects. The primary challenge faced by JIT‐SDP in a cross‐project context lies in the distinct distributions between training and test data. To tackle this issue, we select source data instances that closely resemble target data for building classifiers. Software datasets commonly exhibit a class imbalance problem, where the ratio of the defective class to the clean class is notably low. This imbalance typically diminishes classifier performance. In this study, we propose an instance selection method utilizing kernel mean matching (ISKMM) that addresses both knowledge transfer and class imbalance in cross‐project defect prediction (CPDP). The method employs the kernel mean matching (KMM) technique to assess the similarity between training and target data. It selects instances with high similarity, retains them, and resamples the data based on similarity weighting to mitigate the class imbalance problem. Our experiments, conducted on 10 open‐source projects, reveal that the ISKMM algorithm outperforms existing CP single‐source software defect prediction (SDP) algorithms. Moreover, when employing the proposed algorithm, defect predictors constructed from cross‐project data demonstrate an overall performance comparable to predictors learned from within‐project data.
Starch Gelatinization Behavior: The Impact of Granular Structure
Authors: Lacerda Liziane Dantas , da Silveira Nádya Pesce , Bondam Aline Felten , Hoffmann Jessica Fernanda 
Published: January 2024

AbstractThis study evaluates wheat, corn, and cassava native starches. Morphological features of the starch granule's surface reveal peculiar granule characteristics. Wheat starch granules are the largest, with 20.83 µm mass median diameter, followed by corn, 13.14 µm, and cassava, 12.37 µm. Nonetheless, cassava and corn starches have the lowest polydispersity and greater surface area average. Corn starch shows more resistance to the gelatinization process when observed. Complete granular disruption and gelatinization occurring at 65–75 °C for wheat, 75–85 °C for cassava, and 85 °C for corn. The curves of viscosity evidence the assertion that the starches from cereals gelatinize at higher temperatures than starch from the tuber. Swelling power indicate that cassava starch held more water, whereas IFTR spectroscopy reveals a more ordered structure when compared to wheat and corn starches. However, corn starch has the highest values of Tonset, Tpeak, and Tendset, with enthalpy of gelatinization of 12.73 J g−1, which can be related to the amylose content of 24.25% and mainly to 0.2% of starch damage. The almost negligible amounts of damaged starch present in corn starch indicate the absence of granule fragments capable of increasing water absorption and decreasing the birefringence of the system.