bluuebunny/crossref_metadata_2025 huggingface dataset:
Pathophysiology of Cystic Fibrosis Liver Disease
Authors: Kasper Vania L. , Assis David N.
Published: August 2024

Hepatobiliary complications of Cystic Fibrosis (CF) constitute a significant burden for persons with CF of all ages, with advanced CF liver disease in particular representing a leading cause of mortality. The causes of the heterogeneity of clinical manifestations, ranging from steatosis to focal biliary cholestasis and biliary strictures, are poorly understood and likely reflect a variety of environmental and disease‐modifying factors in the setting of underlying CFTR mutations. This review summarizes the current understanding of the pathophysiology of hepatobiliary manifestations of CF, and discusses emerging disease models and therapeutic approaches that hold promise to impact this important yet incompletely addressed aspect of CF care.
Pancreas and pancreatitis: Exocrine pancreatic insufficiency
Authors: Ramsey Mitchell L. , Galante Gary J.
Published: August 2024

Exocrine pancreatic insufficiency (EPI) is highly prevalent among individuals with cystic fibrosis (CF). Individuals diagnosed with EPI are often labeled as having “pancreas insufficient cystic fibrosis (PI‐CF)” while those with normal exocrine function are labeled as “pancreas sufficient CF (PS‐CF).” This diagnosis of EPI relies on clinical and laboratory features and management involves consumption of pancreas enzyme replacement therapy. In this review, we discuss the nuances of diagnosis and management of EPI in CF. We also present emerging evidence on the effects of CFTR modulating agents on the management of EPI, and speculate that these medications may lead to greater heterogeneity in management of EPI in CF moving forward.
Geometrically Deformed Charged Anisotropic Models in f(Q, T) Gravity
Authors: Pradhan Sneha , Maurya Sunil Kumar , Sahoo Pradyumn Kumar , Mustafa Ghulam
Published: August 2024

In this study, the geometrically deformed compact objects in the f(Q, T) gravity theory under an electric field through gravitational decoupling via minimal geometric deformation (MGD) technique are developed for the first time. The decoupled field equations are solved via two different mimic approaches and through the Karmarkar condition. Physical viability tests are conducted on our models and examine how decoupling parameters affect the physical qualities of objects. The obtained models are compared with the observational constraints for neutron stars PSR J1810+174, PSR J1959+2048, and PSR J2215+5135, including GW190814. Particularly, by modifying parameters α and n, the occurrence of a “mass gap” component is accomplished. The resulting models exhibit stable, well‐behaved mass profiles, regular behavior and no gravitational collapse, as verified by the Buchdahl–Andréasson's limit. Furthermore, a thorough physical analysis that is based on two parameters: n (f(Q, T)–coupling parameter) and α (decoupling parameter) is provided. This work extends our current understanding of compact star configurations and sheds light on the behavior of compact objects in the f(Q, T) gravity.
An evaluation of the growth, development, reproductive characteristics and pest control potential of three Trichogramma species on Tuta absoluta (Meyrick) (Lepidoptera: Gelechiidae)
Authors: Jiang Zhengxiong , Sun Ying , Zhou Shunwen , Xiong Peiwei , Zhang Jinlong , Wu Daohui , Chen Guohua , Zhang Xiaoming
Published: August 2024

BACKGROUND

Tuta absoluta is an invasive alien species that has caused major losses in the Chinese tomato industry. Investigating the growth, development, reproduction and pest control effects of three native species of Trichogramma species on the eggs of T. absoluta could provide an ecological tool for preventing and controlling T. absoluta in China. In this study, we constructed age‐stage two‐sex life tables for three common species of Trichogramma and determined their relative abilities to control T. absoluta in greenhouse insect cages, thus allowing us to identify the species with the most effective ability to prey on T. absoluta eggs.

RESULTS

Analysis showed that the net reproductive rate (R0), gross reproduction rate (GRR) and intrinsic rate of increase (r) of Trichogramma ostriniae were the highest of the three species at 22.85, 32.58 and 1.31, respectively. In the presence of 10 eggs and under ideal conditions, T. ostriniae, Trichogramma chilonis, and Trichogramma dendrolimi produced 9451.04, 5199.56, and 1902.95 offspring, respectively. Following the release of T. ostriniae, tomato leaves incurred a damage index of 1 after the first week, while the number of T. absoluta reduced to 24.60 individuals by week 10 (8.75% of the control treatment).

CONCLUSION

Of the three species of Trichogramma tested in this study, T. ostriniae exhibited the best growth, development, reproductive capacity and predatory ability against T. absoluta, and has broad application prospects. © 2024 Society of Chemical Industry.
Thymol—a plant‐based monoterpenoid phenol compound of an essential oil for the management of sheath blight disease of rice
Authors: Usha Indrajeet , Pramesh Devanna , Shrikanth Barkeer , Raghunandana Adke , Harish Mukanara Nagarajappa , Prasannakumar Muthakapalli Krishnareddy , Sharanabasav Huded , Manjunatha Channappa
Published: August 2024

Sheath blight of rice is a global disease that significantly reduces rice yield. This study reports the antifungal activity of an active compound of essential oil, thymol, at different concentrations against Rhizoctonia solani (strain RS‐Gvt). In vitro assay results indicated that thymol concentrations (0.5 mg mL−1 and 0.25 mg mL−1) completely inhibited (100%) the mycelial growth of RS‐Gvt (p ≤ 0.01). Microscopic observations of thymol‐treated mycelium of RS‐Gvt at 0.0312 mg mL−1 and above concentrations, revealed a distorted mycelial morphology with deformed hyphae. Hyphae showed a bead‐like appearance, reduction in size, and constriction of the hyphae at uneven points with increased hyphal density often entangling with each other. Further, an on‐field experiment was conducted to study the field bio‐efficacy of thymol for two consecutive Kharif seasons of 2022 and 2023 using a factorial RCBD design. The disease severity was measured as the percent disease index (PDI), and the results of two seasons were pooled. Pathogen (RS‐Gvt) and thymol were inoculated in different combinations/methods as main treatments (M1‐M3), and concentrations of thymol (0.0625–1.0 mg ML−1) as sub‐treatments. The results indicated that all two factors significantly (P = 0.05) influenced the PDI and grain yield. The pooled data of two seasons indicated a significant difference between the main treatments (M1: RS‐Gvt + thymol together; M2: thymol sprayed first followed by RS‐Gvt; M3: RS‐Gvt first followed by thymol spray) on PDI (53.39–59.67) and grain yield (4.16–4.75 t ha−1). M1 exhibited a lower PDI (53.39) and a higher grain yield (4.75 t ha−1) compared to M2 and M3, indicating a protective mode of action of thymol against sheath blight disease of rice. The sub‐treatments have shown significant variation in PDI and grain yield. The PDI and grain yield ranged from 33.70 (at 1 mg mL−1) to 66.21 (at 0.0625 mg mL−1) and 4.18 (at 1 mg mL−1) to 5.26 (at 0.0625 mg mL−1) t ha−1, respectively, among the thymol concentrations. This indicates that increasing concentrations of thymol have negatively influenced the PDI and positively impacted the yield. Therefore, the spray of 1 mg mL−1 of thymol at the potential disease‐infection stage is most effective in controlling the sheath blight disease of rice. This study provides an alternative green bioactive compound for controlling the sheath blight disease, and thymol can be included in developing eco‐friendly integrated disease management practices. © 2024 Society of Chemical Industry.
Mixture Experimentation in Pharmaceutical Formulations: A Tutorial
Authors: Hare Lynne B. , Altan Stan , Coppenolle Hans
Published: August 2024

Mixture experimentation is commonly seen in pharmaceutical formulation studies, where the relative proportions of the individual components are modeled for effects on product attributes. The requirement that the sum of the component proportions equals 1 has given rise to the class of designs, known as mixture designs. The first mixture designs were published by Quenouille in 1953 but it took nearly 40 years for the earliest mixture design applications to be published in the pharmaceutical sciences literature by Kettaneh‐Wold in 1991 and Waaler in 1992. Since then, the advent of efficient computer algorithms to generate designs has made this class of designs easily accessible to pharmaceutical statisticians, although the use of these designs appears to be an underutilized experimental strategy even today. One goal of this tutorial is to draw the attention of experimental statisticians to this class of designs and their advantages in pursuing formulation studies such as excipient compatibility studies. We present sufficient materials to introduce the novice practitioner to this class of design, associated models, and analysis strategies. An example of a mixture‐process variable design is given as a case study.
Acute pulmonary thromboembolism with high‐density emboli in the pulmonary artery detected on non‐enhanced computed tomography
Authors: Kajie Shimpei , Nakamura Kentaro , Moriya Tomohiro , Ogata Tomoyuki , Yamashita Takaaki
Published: August 2024

Key message

The presence of high‐density emboli in the pulmonary artery on non‐enhanced computed tomography (CT) has high diagnostic performance for acute central pulmonary thromboembolism. Acute pulmonary thromboembolism is usually diagnosed by contrast‐enhanced CT. However, it may be possible to achieve early diagnosis by identifying characteristic findings on non‐enhanced CT.
Miliary sarcoidosis
Authors: Siddiqui Atif Saleem
Published: August 2024

Key message

Miliary patterns on chest imaging of the lung can be associated with sarcoidosis.
Unearthing the history with A‐RHex: Leveraging articulated hexapod robots for archeological pre‐exploration
Authors: Shao Qi , Xia Qixing , Lin Zhonghan , Dong Xuguang , An Xin , Zhao Haoqi , Li Zhangyi , Liu Xin‐Jun , Dong Wenqiang , Zhao Huichan
Published: August 2024

This paper aims to develop a miniature mobile robot suitable to assist archeologists in their first exploration of unknown underground tombs. Due to the rather complex and irregular terrains in the tombs and inspired by the classic RHex design, we have developed a two‐segment articulated robot (A‐RHex) with two RHex design units. The robot is compact and lightweight, with dimensions of 25 cm long, 6.5 cm wide, 7 cm high, and weighs 283 g. To assist the robot in entering the tomb, we have also designed a deployment platform that can take the robots underground through a 10‐cm exploration hole. We introduce the overall design, control, and communication methods of A‐RHex, and theoretically analyze how the articulated design can improve the stability of the robot on slopes. Laboratory experiments and field testings at two real archeological excavation sites in China have validated A‐RHex's mechanical design, control strategies, communications, and capabilities for pre‐exploration of open and closed tombs. We believe that this kind of robot with high terrain adaptability and a small profile may become an important tool for field archeology in the future.
UN‐SDGs framework for child development in India: Evidence from a decentralized analysis
Authors: Narayana Muttur Ranganathan
Published: August 2024

This article develops a framework to analyze and to assess the United Nations Sustainable Development Goals (UN‐SDGs) related progress in child development in India, and to provide improved policy recommendations for sub‐national (state and district level) governments. District level analysis is based on a case study of Karnataka State (India). Status of India's children is described in global, national and sub‐national contexts. Child development is measured by 26 multi‐dimensional indicators comprising child health, nutrition, education, and protection and participation. Using the NITI Aayog's methodology of SDG India Index 2020–21, components' scores and composite index of child development are calculated and level of child development at national, state and district level is categorized by performer, front runner, achiever, and aspirant. Main results show that, both vertically and horizontally, low child development are related to poor performance of nutrition and education indicators in aspirational districts. However, focus on improving all 26 child development indicators is essential to reach the targets. The speed of convergence will be critical to reduce the time distance from now to 2030. Policy recommendations are focused to prioritize the public expenditure strategies in child budget for attainment of UN‐SDGs goals and targets by 2030, and to extend child budgeting to urban and rural local bodies. The empirical approach and policy recommendations are of relevance for other states in India, and applicable for countries elsewhere in the world.
Information as a resource: Can perceived information process quality in the workplace contribute to more optimism in times of crisis?
Authors: Stiglbauer Barbara , Penz Marlene
Published: August 2024

Against the background of Job Demands‐Resources and Conservation of Resources theory and research on organizational communication, this prospective study among n = 312 employees explores the significant role of perceived information process quality (PIPQ) in enhancing employees' optimism during the COVID‐19 pandemic. It thereby contributes to a deeper understanding of the factors influencing employee optimism in challenging contexts. In this study, PIPQ is defined by the availability of timely information, clarity, and consistency in the information provided. Results from latent change score modelling revealed that employees who experienced high PIPQ, particularly consistent information, reported feeling more optimistic about work‐related aspects and also experienced spillover effects into their private lives. Notably, both consistency in information prior to the pandemic and increases in consistent information during the pandemic demonstrated this beneficial effect. Moreover, timely available information also positively influenced optimism, especially regarding work‐related aspects. However, the study did not find evidence that clarity in information significantly affected optimism. In summary, the findings underscore the importance of accessible and consistent information as a vital resource for employees' ability to navigate crises.
Lab‐in‐a‐Vial Rapid Test for Internet of Things‐Embedded Point‐of‐Healthcare Protein Biomarker Detection in Bodily Fluids
Authors: Li Nan‐Si , Hsu Ying‐Pei , Pang Hao‐Han , Wang Sheng‐Fan , Pang See‐Tong , Lin Chih‐Yen , Tsai Rung‐Ywan , Huang Chiung‐Yin , Wei Kuo‐Chen , Yang Hung‐Wei
Published: August 2024

Amateurs often struggle with detecting and quantifying protein biomarkers in body fluids due to the high expertise required. This study introduces a Lab‐in‐a‐Vial (LV) rapid diagnostic platform, featuring hydrangea‐like platinum nanozymes (PtNH), for rapid, accurate detection and quantification of protein biomarkers on‐site within 15 min. This method significantly enhances detection sensitivity for various biomarkers in body fluids, surpassing traditional methods such as enzyme‐linked immunosorbent assays (ELISA) and lateral flow assays (LFA) by ≈250 to 1300 times. The LV platform uses a glass vial coated with specific bioreceptors such as antigens or antibodies, enabling rapid in vitro evaluation of disease risk from small fluid samples, similar to a personal ELISA‐like point‐of‐care test (POCT). It overcomes challenges in on‐site biomarker detection, allowing both detection and quantification through a portable wireless spectrometer for healthcare internet of things (H‐IoT). The platform's effectiveness and adaptability are confirmed using IgG/IgM antibodies from SARS‐CoV‐2 infected patients and nuclear matrix protein (NMP22) from urothelial carcinoma (UC) patients as biomarkers. These tests demonstrated its accuracy and flexibility. This approach offers vast potential for diverse disease applications, provided that the relevant protein biomarkers in bodily fluids are identified.
Development of a Zn‐Based Single‐Atom Nanozyme for Efficient Hydrolysis of Glycosidic Bonds
Authors: Qiao Cailin , Wang Chao , Luo Huibo , Ma Yi , Luo Xiaogang , Zhang Suyi , Huo Danqun , Hou Changjun
Published: August 2024

Hydrolytic enzymes are essential components in second‐generation biofuel technology and food fermentation processes. Nanozymes show promise for large‐scale industrial applications as replacements for natural enzymes due to their distinct advantages. However, there remains a research gap concerning glycosidase nanozymes. In this study, a Zn‐based single‐atom nanozyme (ZnN4‐900) is developed for efficient glycosidic bond hydrolysis in an aqueous solution. The planar structure of the class‐porphyrin N4 material approximatively mimicked the catalytic centers of natural enzymes, facilitating oxidase‐like (OXD‐like) activity and promoting glycosidic bond cleavage. Theoretical calculations show that the Zn site can act as Lewis acids, attacking the C─O bond in glycosidic bonds. Additionally, ZnN4‐900 has the ability to degrade starch and produce reducing sugars that increased yeast cell biomass by 32.86% and ethanol production by 14.56%. This catalyst held promising potential for enhancing processes in ethanol brewing and starch degradation industries.
A Flexible MXene‐Black Phosphorus/Zinc Oxide Hybrid Structure with Excellent UVA‐Specific Photoelectric Sensing Properties for Human Skin Protection
Authors: Zhang Liangshutong , Zhang Yupu , Xu Shuchang , Zhao Ruowen , Zhai Wei , Wang Jianyuan
Published: August 2024

Ultraviolet A (UVA) radiation causes various irreversible damages to human skin, so the research about UVA‐specific sensing device is urgent. 2D black phosphorus (BP) is used in many photosensors due to its advantages of high carrier mobility and tunable bandgap, but its application for UVA‐specific photosensor is not reported. Here, a MXene‐BP/Zinc oxide (ZnO) hybrid structure with lamellar‐spherical interfaces like finger lime fruit is prepared by the layer‐by‐layer assembly (LLA) method, and p‐n junctions are constructed between BP and ZnO with the Ti3C2Tx electrode, showing excellent photoelectric performance. Density functional theory (DFT) calculations demonstrate that the enhanced performance is attributed to the rapid separation of photogenerated carriers in the presence of a built‐in electric field at interface. Furthermore, a flexible MXene‐BP/ZnO based UVA‐specific photosensor is prepared, which shows a specific response to UVA as high as 7 mA W−1 and excellent mechanical stability, maintaining 98.46% response after 100 bending cycles. In particular, the integrated anti‐UVA skin protection device shows excellent UVA‐specific identification and wireless transmission capability, which can provide timely UVA exposure information and skin protection warning for the visually impaired. This work demonstrates a new approach for further developments of advanced photoelectric sensing technology toward improving people's skin health protection.
A Temperature Sensory Leaky Integrate‐and‐Fire Artificial Neuron Based on Chitosan/PNIPAM Bilayer Volatile Complementary Resistive Switching Memristor
Authors: Sun Yanmei , Liu Ming , Li Bingxun
Published: August 2024

The presence of neurons is crucial in neuromorphic computing systems as they play a vital role in modulating the strength of synapses through the release of either excitatory or inhibitory stimuli. Hence, the development of sensory neurons plays a pivotal role in broadening the scope of brain‐inspired neural computing. The present study introduces an artificial sensory neuron, which is constructed using a temperature‐sensitive volatile complementary resistance switch memristor based on the functional layer of the chitosan/PNIPAM bilayer. The resistive switching behavior arises from the formation and ionization of oxygen vacancy filaments, whereby the threshold voltage and low resistive resistance of the device exhibit a temperature‐dependent increase within the range of 290–410 K. A functional replication of a neuron with leaky integration and firing has been successfully developed, effectively simulating essential biological functions such as firing triggered by threshold, refractory period implementation, and modulation of spiking frequency. The artificial sensory neuron exhibits characteristics similar to those of leaky integrated firing neurons that receive temperature inputs. It has the potential to control the output frequency and amplitude under varying temperature conditions, making it suitable for temperature‐sensing applications. This study presents a potential hardware implementation for developing efficient artificial intelligence systems that can support temperature detections.
Anion‐Dominated Solvation in Low‐Concentration Electrolytes Promotes Inorganic‐Rich Interphase Formation in Lithium Metal Batteries
Authors: Pan Jiawei , Yuan Huihui , Wu Jiaxin , Li Meng , Wu Xiangwei , Zeng Wang , Wen Zhaoyin , Qian Rong
Published: August 2024

While the formation of an inorganic‐rich solid electrolyte interphase (SEI) plays a crucial role, the persistent challenge lies in the formation of an organic‐rich SEI due to the high solvent ratio in low‐concentration electrolytes (LCEs), which hinders the achievement of high‐performance lithium metal batteries. Herein, by incorporating di‐fluoroethylene carbonate (DFEC) as a non‐solvating cosolvent, a solvation structure dominated by anions is introduced in the innovative LCE, leading to the creation of a durable and stable inorganic‐rich SEI. Leveraging this electrolyte design, the Li||NCM83 cell demonstrates exceptional cycling stability, maintaining 82.85% of its capacity over 500 cycles at 1 C. Additionally, Li||NCM83 cell with a low N/P ratio (≈2.57) and reduced electrolyte volume (30 µL) retain 87.58% of its capacity after 150 cycles at 0.5 C. Direct molecular information is utilized to reveal a strong correlation between solvation structures and reduction sequences, proving the anion‐dominate solvation structure can impedes the preferential reduction of solvents and constructs an inorganic‐rich SEI. These findings shed light on the pivotal role of solvation structures in dictating SEI composition and battery performance, offering valuable insights for the design of advanced electrolytes for next‐generation lithium metal batteries.
Lattice Strain Regulation and Halogen Vacancies Passivation Enable High‐Performance Formamidine‐Based Perovskite Solar Cells
Authors: Sun Yansheng , Miao Wenjing , Sun Weiwei , Niu Zijun , Yin Ran , Huo Xiaonan , Wang Kexiang , You Tingting , Yin Penggang
Published: August 2024

Formamidinium lead iodide (FAPbI3) perovskite has lately surfaced as the preferred contender for highly proficient and robust perovskite solar cells (PSCs), owing to its favorable bandgap and superior thermal stability. Nevertheless, volatilization and migration of iodide ions (I−) result in non‐radiating recombination centers, and the presence of large formamidine (FA) cations tends to cause lattice strain, thereby reducing the power conversion efficiency (PCE) and stability of PSCs. To solve these problems, the lead formate (PbFa) is added into the perovskite solution, which effectively mitigates the halogen vacancy and provides tensile strain outside the perovskite lattice, thereby enhancing its properties. The strong coordination between the C═O of HCOO− and Pb–I backbones effectively immobilizes anions, significantly increases the energy barrier for anion vacancy formation and migration, and reduces the risk of lead ion (Pb2+) leakage, thereby improving the operation and environmental safety of the device. Consequently, the champion PCE of devices with Ag electrodes can be increased from 22.15% to 24.32%. The unencapsulated PSCs can still maintain 90% of the original PCE even be stored in an N2 atmosphere for 1440 h. Moreover, the target devices have significantly improved performance in terms of light exposure, heat, or humidity.
Visualizing DNA/RNA, Proteins, and Small Molecule Metabolites within Live Cells
Authors: Jia Dongling , Cui Minhui , Ding Xianting
Published: August 2024

Live cell imaging is essential for obtaining spatial and temporal insights into dynamic molecular events within heterogeneous individual cells, in situ intracellular networks, and in vivo organisms. Molecular tracking in live cells is also a critical and general requirement for studying dynamic physiological processes in cell biology, cancer, developmental biology, and neuroscience. Alongside this context, this review provides a comprehensive overview of recent research progress in live‐cell imaging of RNAs, DNAs, proteins, and small‐molecule metabolites, as well as their applications in molecular diagnosis, immunodiagnosis, and biochemical diagnosis. A series of advanced live‐cell imaging techniques have been introduced and summarized, including high‐precision live‐cell imaging, high‐resolution imaging, low‐abundance imaging, multidimensional imaging, multipath imaging, rapid imaging, and computationally driven live‐cell imaging methods, all of which offer valuable insights for disease prevention, diagnosis, and treatment. This review article also addresses the current challenges, potential solutions, and future development prospects in this field.
Oxygen‐Propelled Dual‐Modular Microneedles with Dopamine‐Enhanced RNA Delivery for Regulating Each Stage of Diabetic Wounds
Authors: Ran Jinhui , Xie Zhiping , Yan Liwei , Ye Chengxinyue , Hou Yue , Hu Yuelin , Lu Xiong , Xie Chaoming
Published: August 2024

Diabetic wounds are characterized by the disruption and cessation of essential healing stages, which include hemostasis, inflammation, proliferation, and remodeling. However, traditional treatments for diabetic wounds concentrate on individual stages of the healing process. Herein, this study utilizes mask‐mediated sequential polymerization and varied cross‐linking techniques to develop dual‐modular microneedles (MNs) with fast‐ and slow‐module, exhibiting varying degradation rates tailored for the full spectrum of diabetic wound healing. First, MNs incorporating calcium ions and dopamine synergistically promote rapid hemostasis. Second, fast‐module physically cross‐linked MNs rapidly D‐mannose/dopamine‐enhanced tripolyphosphate‐quaternized chitosan (mDTC) nanoparticles (NPs) loaded with microRNA‐147 (miRNA‐147) to manage inflammation and oxidative stress in diabetic wounds. Additionally, dopamine in these NPs enhances their internalization and safeguards miRNA‐147 from oxidative stress and RNase degradation. Finally, slow‐module chemically cross‐linked MNs facilitate the continuous release of deferoxamine (DFO) and dopamine, accelerating angiogenesis and tissue regeneration during the proliferation and remodeling stages. Manganese/dopamine‐enhanced calcium peroxide NPs within the MNs initiate a blast‐like generation of oxygen bubbles, not only enhancing the delivery of miRNA‐mDTC NPs and DFO but also alleviating tissue hypoxia. Consequently, dual‐modular MNs are instrumental in promoting rapid and complete healing of diabetic wounds through all stages of healing.
Tuning Iron Active Sites of FeOOH via Al3+ and Heteroatom Doping‐Induced Asymmetric Oxygen Vacancy Electronic Structure for Efficient Alkaline Water Splitting
Authors: Lv Jia‐Qi , Chang Yingfei , Chen Xinyu , Guo Jinyu , Sun Jing , Su Zhong‐Min , Zang Hong‐Ying
Published: August 2024

Oxygen evolution reaction is the essential anodic reaction for water splitting. Designing tunable electronic structures to overcome its slow kinetics is an effective strategy. Herein, the molecular ammonium iron sulfate dodecahydrate is employed as the precursor to synthesize the C, N, S triatomic co‐doped Fe(Al)OOH on Ni foam (C,N,S‐Fe(Al)OOH‐NF) with asymmetric electronic structure. Both in situ oxygen vacancies and their special electronic configuration enable the electron transfer between the d‐p orbitals and get the increase of OER activity. Density functional theory calculation further indicates the effect of electronic structure on catalytic activity and stability at the oxygen vacancies. In alkaline solution, the catalyst C,N,S‐Fe(Al)OOH‐NF shows good catalytic activity and stability for water splitting. For OER, the overpotential of 10 mA cm−2 is 264 mV, the tafel slope is 46.4 mV dec−1, the HER overpotential of 10 mA cm−2 is 188 mV, the tafel slope is 59.3 mV dec−1. The stability of the catalyst can maintain ≈100 h. This work has extraordinary implications for understanding the mechanistic relationship between electronic structure and catalytic activity for designing friendly metal (oxy)hydroxide catalysts.
Engineering d–p Orbital Hybridization in Mo‐O Species of Medium‐Entropy Metal Oxides as Highly Active and Stable Electrocatalysts toward Ampere‐Level Water/Seawater Splitting
Authors: Sun Jianpeng , Zhao Zhan , Li Zizhen , Zhang Zisheng , Meng Xiangchao
Published: August 2024

Optimizing the electronic structure of electrocatalysts is of particular importance to enhance the intrinsic activity of active sites in water/seawater. Herein, a series of medium‐entropy metal oxides of X(NiMo)O2/NF (X = Mn, Fe, Co, Cu and Zn) is designed via a rapid carbothermal shocking method. Among them, the optimized medium‐entropy metal oxide (FeNiMo)O2/NF delivered remarkable HER performance, where the overpotentials as low as 110 and 141 mV are realized at 1000 mA cm−2 (@60 °C) in water and seawater. Meanwhile, medium‐entropy metal oxide (FeNiMo)O2/NF only required overpotentials of as low as 330 and 380 mV to drive 1000 mA cm−2 for OER in water and seawater (@60 °C). Theoretical calculations showed that the multiple‐metal synergistic effect in medium‐entropy metal oxides can effectively enhance the d–p orbital hybridization of Mo─O bond, reduce the energy barrier of H* adsorbed at the Mo sites. Meanwhile, Fe sites in medium‐entropy metal oxide can act as the real OER active center, resulting in a good bifunctional activity. In all, this work provides a feasible strategy for the development of highly active and stable medium‐entropy metal oxide electrocatalysts for ampere‐level water/seawater splitting.
Regulation of Zn2+ Solvation Configuration in Aqueous Batteries via Selenium‐Substituted Crown Ether Engineering
Authors: Jiang Tao , Xue Rongrong , Chen Yaoxuan , Tang Kewei , Shang Jie , Ge Yan , Qi Weihong , Qi Zhenhui , Ma Yue
Published: August 2024

The efficient utilization of the metallic Zn in rechargeable aqueous Zn‐ion batteries (RAZBs) struggle to suffer from parasitic Zn dendrite formation, hydrogen evolution reactions as well as severe interfacial degradation at high areal capacity loadings. This study thus proposes to employ the modified crown ether as an aqueous electrolyte additive to regulate the Zn2+ desolvation kinetic and facilitates the horizontally oriented (002) deposition of Zn, extending the lifespan of both the symmetric cell and full cell models. Specifically, zincophilic cyano and hydrophobic selenium atoms are incorporated into the crown ether supramolecule to enhance Zn2+ coordination and desolvation capability. The addition of 4‐cyanobenzo‐21‐crown‐7‐selenium at a low concentration of 0.5 wt.% effectively mitigates hydrogen evolution and Zn corrosion caused by water, promoting the oriented deposition of Zn2+. The Zn||V2O5 full cell prototype, assembled with the areal capacity loadings of 2 mAh cm−2 and N/P ratio of 2.95, exhibits negligible capacity fading at 2.0A g−1 for 300 cycles, highlighting the commercial feasibility of supramolecular macrocycles additive for practical RAZBs applications.
Utilization of Polycyclic Aromatic Solid Additives for Morphology and Thermal Stability Enhancement in Photoactive Layers of Organic Solar Cells
Authors: Xu Jianing , Xiao Chengyi , Zhang Zhou , Zhang Junjie , Wang Bo , McNeill Christopher R. , Li Weiwei
Published: August 2024

Volatile solid additives have emerged as a promising strategy for enhancing film morphology and promoting the power conversion efficiency (PCE) of organic solar cells (OSCs). Herein, a series of novel polycyclic aromatic additives with analogous chemical structures, including fluorene (FL), dibenzothiophene (DBT), and dibenzofuran (DBF) derived from crude oils, are presented and incorporated into OSCs. All these additives exhibit strong interactions with the electron‐deficient terminal groups of L8‐BO within the bulk‐heterojunction OSCs. Moreover, they demonstrate significant sublimation during thermal annealing, leading to increase free volumes for the rearrangement and recrystallization of L8‐BO. This phenomenon leads to an improved film morphology and an elevated glass‐transition temperature of the photoactive layers. Consequently, the PCE of the PM6:L8‐BO blend has been boosted from 16.60% to 18.60% with 40 wt% DBF additives, with a champion PCE of 19.11% achieved for ternary PM6:L8‐BO:BTP‐eC9 OSCs. Furthermore, the prolonged shelf and thermal stability have been observed in OSCs with these additives. This study emphasizes the synergic effect of volatile solid additives on the performance and thermal stability of OSCs, highlighting their potential for advancing the field of photovoltaics.
Unveiling the impact of unchanged modules across versions on the evaluation of within‐project defect prediction models
Authors: Liu Xutong , Zhou Yufei , Lu Zeyu , Mei Yuanqing , Yang Yibiao , Qian Junyan , Zhou Yuming
Published: August 2024

Background

Software defect prediction (SDP) is a topic actively researched in the software engineering community. Within‐project defect prediction (WPDP) involves using labeled modules from previous versions of the same project to train classifiers. Over time, many defect prediction models have been evaluated under the WPDP scenario.

Problem

Data duplication poses a significant challenge in current WPDP evaluation procedures. Unchanged modules, characterized by identical executable source code, are frequently present in both target and source versions during experimentation. However, it is still unclear how and to what extent the presence of unchanged modules affects the performance assessment of WPDP models and the comparison of multiple WPDP models.

Method

In this paper, we provide a method to detect and remove unchanged modules from defect datasets and unveil the impact of data duplication in WPDP on model evaluation.

Results

The experiments conducted on 481 target versions from 62 projects provide evidence that data duplication significantly affects the reported performance values of individual learners in WPDP. However, when ranking multiple WPDP models based on prediction performance, the impact of removing unchanged instances is not substantial. Nevertheless, it is important to note that removing unchanged instances does have a slight influence on the selection of models with better generalization.

Conclusion

We recommend that future WPDP studies take into consideration the removal of unchanged modules from target versions when evaluating the performance of their models. This practice will enhance the reliability and validity of the results obtained in WPDP research, leading to improved understanding and advancements in defect prediction models.
Statistical Survey of Chemical and Geometric Patterns on Protein Surfaces as a Blueprint for Protein‐Mimicking Nanoparticles
Authors: McBride John M. , Koshevarnikov Aleksei , Siek Marta , Grzybowski Bartosz A. , Tlusty Tsvi
Published: August 2024

Despite recent breakthroughs in understanding how protein sequence relates to structure and function, considerably less attention has been paid to the general features of protein surfaces beyond those regions involved in binding and catalysis. This article provides a systematic survey of the universe of protein surfaces and quantifies the sizes, shapes, and curvatures of the positively/negatively charged and hydrophobic/hydrophilic surface patches as well as correlations between such patches. It then compares these statistics with the metrics characterizing nanoparticles functionalized with ligands terminated with positively and negatively charged ligands. These particles are of particular interest because they are also surface patchy and have been shown to exhibit both antibiotic and anticancer activities—via selective interactions against various cellular structures—prompting loose analogies to proteins. The analyses support such analogies in several respects (e.g., patterns of charged protrusions and hydrophobic niches similar to those observed in proteins), although there are also significant differences. Looking forward, this work provides a blueprint for the rational design of synthetic nano‐objects with further enhanced mimicry of proteins’ surface properties.
Luteolin Inhibits Indoxyl Sulfate‐Induced ICAM‐1 and MCP‐1 Expression by Inducing HO‐1 Expression in EA.hy926 Human Endothelial Cells
Authors: Chang Li‐Chien , Yeh En‐Ling , Chuang Ya‐Chi , Wu Chia‐Hsuan , Kuo Chia‐Wen , Lii Chong‐Kuei , Yang Ya‐Chen , Chen Haw‐Wen , Li Chien‐Chun
Published: August 2024

In patients with chronic kidney disease, the uremic toxin indoxyl sulfate (IS) accelerates kidney damage and the progression of cardiovascular disease. IS may contribute to vascular diseases by inducing inflammation in endothelial cells. Luteolin has documented antioxidant and anti‐inflammatory properties. This study aimed to investigate the effect of luteolin on IS‐mediated reactive oxygen species (ROS) production and intercellular adhesion molecule (ICAM‐1) and monocyte chemoattractant protein (MCP‐1) expression in EA.hy926 cells and the possible mechanisms involved. IS significantly induced ROS production (by 6.03‐fold, p < 0.05), ICAM‐1 (by 2.19‐fold, p < 0.05) and MCP‐1 protein expression (by 2.18‐fold, p < 0.05), and HL‐60 cell adhesion (by 31%, p < 0.05), whereas, luteolin significantly decreased IS‐induced ROS production, ICAM‐1 and MCP‐1 protein expression, and HL‐60 cell adhesion. Moreover, luteolin attenuated IS‐induced nuclear accumulation of p65 and c‐jun. Luteolin dose‐dependently increased heme oxygenase‐1 (HO‐1) expression and the maximum fold induction of HO‐1 by luteolin was 3.68‐fold (p < 0.05), whereas, HO‐1 knockdown abolished the suppression of ICAM‐1 and MCP‐1 expression by luteolin. Luteolin may protect against IS‐induced vessel damage by inducing HO‐1 expression in vascular endothelial cells, which suppresses nuclear factor kappa B (NF‐κB) and activator protein 1 (AP‐1) mediated ICAM‐1 and MCP‐1 expression.
Naringenin Against Cadmium Toxicity in Fibroblast Cells: An Integrated Network Pharmacology and In Vitro Metabolomics Approach
Authors: Priya Komal , Roy Ashim Chandra , Prasad Abhinav , Kumar Prabhat , Ghosh Ilora
Published: August 2024

Cadmium, a heavy metal, disrupts cellular homeostasis and is highly toxic, with no effective treatments currently available against its toxicity. According to studies, phytochemicals provide a promising strategy for mitigating cadmium toxicity. Naringenin (NG), a potent antioxidant found primarily in citrus fruits, showed protective properties against cadmium toxicity in rats. Nonetheless, the precise mechanism of cadmium cytotoxicity in fibroblasts remains unknown. This study evaluated NG against cadmium (CdCl2) toxicity utilizing network pharmacology and in silico molecular docking, and was further validated experimentally in rat fibroblast F111 cells. Using network pharmacology, 25 possible targets, including the top 10 targets of NG against cadmium, were identified. Molecular docking of interleukin 6 (IL6), the top potential target with NG, showed robust binding with an inhibition constant (Ki) of 58.76 μM, supporting its potential therapeutic potential. Pathway enrichment analysis suggested that “response to reactive oxygen species” and “negative regulation of small molecules metabolic process” were the topmost pathways targeted by NG against cadmium. In vitro analysis showed that NG (10 μM) attenuated CdCl2‐induced oxidative stress by reducing altered intracellular ROS, mitochondrial mass, and membrane potential. Also, NG reversed CdCl2‐mediated nuclear damage, G2/M phase arrest, and apoptosis. GC/MS‐based metabolomics of F111 cells revealed CdCl2 reduced cholesterol levels, which led to alterations in primary bile acid, steroid and steroid hormone biosynthesis pathways, whereas, NG restored these alterations. In summary, combined in silico and in vitro analysis suggested that NG protected cells from CdCl2 toxicity by mitigating oxidative stress and metabolic pathway alterations, providing a comprehensive understanding of its protective mechanisms against cadmium‐induced toxicity.
Efficacy and safety of probiotics in IBD: An overview of systematic reviews and updated meta‐analysis of randomized controlled trials
Authors: Estevinho Maria Manuela , Yuan Yuhong , Rodríguez‐Lago Iago , Sousa‐Pimenta Mário , Dias Cláudia Camila , Barreiro‐de Acosta Manuel , Jairath Vipul , Magro Fernando
Published: August 2024

Background and objective

Probiotics show promise in inflammatory bowel disease (IBD), yet knowledge gaps persist. We performed an overview of systematic reviews and an updated metanalysis of randomized controlled trials (RCT) assessing the effect of probiotics on Crohn's disease (CD) and ulcerative colitis (UC).

Methods

MEDLINE, Web of Science, and the Cochrane Central Register of Controlled Trials were searched up to September 2023. Primary outcomes were clinical remission and recurrence; secondary outcomes included endoscopic response and remission, and adverse events. We calculated odds ratios (OR) using a random‐effects model in R. The quality of systematic reviews was assessed using the AMSTAR‐2; the trials' risk of bias was evaluated using the Cochrane Collaboration tool. Evidence certainty was rated using the GRADE framework.

Results

Out of 2613 results, 67 studies (22 systematic reviews and 45 RCTs) met the eligibility criteria. In the updated meta‐analysis, the OR for clinical remission in UC and CD was 2.00 (95% CI 1.28–3.11) and 1.61 (95% CI 0.21–12.50), respectively. The subgroup analysis suggested that combining 5‐ASA and probiotics may be beneficial for inducing remission in mild‐to‐moderate UC (OR 2.35, 95% CI 1.29–4.28). Probiotics decreased the odds of recurrence in relapsing pouchitis (OR 0.03, 95% CI 0.00–0.25) and trended toward reducing clinical recurrence in inactive UC (OR 0.65, 95% CI 0.42–1.01). No protective effect against recurrence was identified for CD. Multi‐strain formulations appear superior in achieving remission and preventing recurrence in UC. The use of probiotics was not associated with better endoscopic outcomes. Adverse events were similar to control. However, the overall certainty of evidence was low.

Conclusion

Probiotics, particularly multi‐strain formulations, appear efficacious for the induction of clinical remission and the prevention of relapse in UC patients as well as for relapsing pouchitis. Notwithstanding, no significant effect was identified for CD. The favorable safety profile of probiotics was also highlighted.
Invariant tensions from holography
Authors: Bachas Constantin , Chen Zhongwu
Published: August 2024

Abstract

We revisit the problem of defining an invariant notion of tension in gravity. For spacetimes whose asymptotics are those of a Defect CFT we propose two independent definitions: gravitational tension given by the one-point function of the dilatation current, and inertial tension, or stiffness, given by the norm of the displacement operator. We show that both reduce to the tension of the Nambu-Goto action in the limit of classical thin-brane probes. Subtle normalisations of the relevant Witten diagrams are fixed by the Weyl and diffeomorphism Ward identities of the boundary DCFT. The gravitational tension is not defined for domain walls, whereas stiffness is not defined for point particles. When they both exist these two tensions are in general different, but the examples of line and surface BPS defects in d = 4 show that superconformal invariance can identify them.
Chiral shift symmetries as an infinite tower of subleading super-shift symmetries
Authors: Barnich Glenn , Ciambelli Luca , González Hernán A.
Published: August 2024

Abstract

Chiral shift symmetries of the massless free bosons in two dimensions are global symmetries that are somewhat similar to asymptotic symmetries. They are most transparent in double-null coordinates where they are parametrized by two functions of one variable. In BMS-type coordinates, half of them appear as an infinite tower of sub-leading super-shift symmetries.
Renormalization-group improved resummation of super-leading logarithms
Authors: Böer Philipp , Hager Patrick , Neubert Matthias , Stillger Michel , Xu Xiaofeng
Published: August 2024

Abstract

A new strategy is presented for systematically treating super-leading logarithmic contributions including higher-order Glauber exchanges for non-global LHC observables in renormalization-group (RG) improved perturbation theory. This represents an important improvement over previous approaches, as it allows for the consistent inclusion of the scale dependence of the strong coupling, thereby providing more reliable estimates of the scale uncertainties in theoretical predictions. The key idea is to rearrange the relevant RG evolution operator in such a way that all double-logarithmic corrections are exponentiated from the outset. This forms the starting point for the first resummation of super-leading logarithms at leading order in RG-improved perturbation theory for arbitrary 2 → M scattering processes. Moreover, the asymptotic scaling of subleading logarithmic corrections from higher-order Glauber exchanges is determined, demonstrating their parametric suppression.
Note on the group of vertical diffeomorphisms of a principal bundle & its relation to the Frölicher-Nijenhuis bracket
Authors: François J.
Published: August 2024

Abstract

The group of vertical diffeomorphisms of a principal bundle forms the action Lie groupoid associated to the bundle. The former is generated by the group of maps with value in the structure group, which is also the group of bisections of the groupoid. The corresponding Lie algebra of general vertical vector fields is generated by maps with value in the Lie algebra of the structure group. The bracket on these maps, induced by the bracket of vertical vector fields, is an “extended” bracket on gauge parameters: it has been introduced heuristically in physics, notably in the study of asymptotic symmetries of gravity. Seeing the set of Lie algebra-valued maps as sections of the action Lie algebroid associated to the bundle, the extended bracket is understood to be a Lie algebroid bracket on those sections.

Here, we highlight that this bracket can also be seen to arise from the Frölicher-Nijenhuis bracket of vector-valued differential forms. The benefit of this viewpoint is to insert this extended bracket within the general framework of derivations of forms on a bundle. Identities relating it to the usual operations of Cartan calculus — inner product, exterior and (Nijenhuis-) Lie derivative — are immediately read as special cases of general results. We also consider the generalised gauge transformations induced by vertical diffeomorphisms, and discuss their peculiar features. In particular, locally, and contrary to standard gauge transformations arising from vertical bundle automorphisms, they are distinguishable from local gluings when iterated. Yet, the gauge principle still holds.