bluuebunny/crossref_metadata_2025 huggingface dataset:
Drp1 depletion protects against ferroptotic cell death by preserving mitochondrial integrity and redox homeostasis
Authors: Tang Stephan , Fuß Anneke , Fattahi Zohreh , Culmsee Carsten
Published: August 2024

Mitochondria are highly dynamic organelles which undergo constant fusion and fission as part of the mitochondrial quality control. In genetic diseases and age-related neurodegenerative disorders, altered mitochondrial fission-fusion dynamics have been linked to impaired mitochondrial quality control, disrupted organelle integrity and function, thereby promoting neural dysfunction and death. The key enzyme regulating mitochondrial fission is the GTPase Dynamin-related Protein 1 (Drp1), which is also considered as a key player in mitochondrial pathways of regulated cell death. In particular, increasing evidence suggests a role for impaired mitochondrial dynamics and integrity in ferroptosis, which is an iron-dependent oxidative cell death pathway with relevance in neurodegeneration. In this study, we demonstrate that CRISPR/Cas9-mediated genetic depletion of Drp1 exerted protective effects against oxidative cell death by ferroptosis through preserved mitochondrial integrity and maintained redox homeostasis. Knockout of Drp1 resulted in mitochondrial elongation, attenuated ferroptosis-mediated impairment of mitochondrial membrane potential, and stabilized iron trafficking and intracellular iron storage. In addition, Drp1 deficiency exerted metabolic effects, with reduced basal and maximal mitochondrial respiration and a metabolic shift towards glycolysis. These metabolic effects further alleviated the mitochondrial contribution to detrimental ROS production thereby significantly enhancing neural cell resilience against ferroptosis. Taken together, this study highlights the key role of Drp1 in mitochondrial pathways of ferroptosis and expose the regulator of mitochondrial dynamics as a potential therapeutic target in neurological diseases involving oxidative dysregulation.
Genetic architecture of telomere length in 462,666 UK Biobank whole-genome sequences
Authors: Burren Oliver S. , Dhindsa Ryan S. , Deevi Sri V. V. , Wen Sean , Nag Abhishek , Mitchell Jonathan , Hu Fengyuan , Loesch Douglas P. , Smith Katherine R. , Razdan Neetu , Olsson Henric , Platt Adam , Vitsios Dimitrios , Wu Qiang ,   AstraZeneca Genomics Initiative, Ågren Rasmus , Anderson-Dring Lauren , Atanur Santosh , Baker David , Belvisi Maria , Bohlooly-Y Mohammad , Buvall Lisa , Cameron-Christie Sophia , Cohen Suzanne , Danielson Regina F. , Das Shikta , Davis Andrew , del Angel Guillermo , Ding Wei , Dougherty Brian , Fairhurst-Hunter Zammy , Garg Manik , Georgi Benjamin , Rangel Carmen Guerrero , Harper Andrew , Haefliger Carolina , Hammar Mårten , Hanna Richard N. , Hansen Pernille B. L. , Harrow Jennifer , Henry Ian , Hess Sonja , Hollis Ben , Jiang Xiao , Kundu Kousik , Lai Zhongwu , Lal Mark , Lassi Glenda , Liang Yupu , Lopes Margarida , Lou Eagle , Lythgow Kieren , MacArthur Stewart , Maisuria-Armer Meeta , March Ruth , Martins Carla , Matelska Dorota , Megy Karine , Menzies Rob , Michaëlsson Erik , Middleton Fiona , Mowrey Bill , Muthas Daniel , O’Dell Sean , Oerton Erin , Ohne Yoichiro , Olsson Henric , O’Neill Amanda , Ostridge Kristoffer , Paul Dirk , Prins Bram , Pullman Benjamin , Rae William , Raies Arwa , Reznichenko Anna , Ros Xavier Romero , Sanganee Hitesh , Ben Sidders  , Snowden Mike , Stankovic Stasa , Stevens Helen , Tachmazidou Ioanna , Taiy Haeyam , Tian Lifeng , Underwood Christina , Viollet Coralie , Walentinsson Anna , Wang Lily , Wang Qing-Dong , Wheeler Eleanor , Zehir Ahmet , Zou Zoe , Codd Veryan , Nelson Christopher P. , Samani Nilesh J. , March Ruth E. , Wasilewski Sebastian , Carss Keren , Fabre Margarete , Wang Quanli , Pangalos Menelas N. , Petrovski Slavé
Published: August 2024

Telomeres protect chromosome ends from damage and their length is linked with human disease and aging. We developed a joint telomere length metric, combining quantitative PCR and whole-genome sequencing measurements from 462,666 UK Biobank participants. This metric increased SNP heritability, suggesting that it better captures genetic regulation of telomere length. Exome-wide rare-variant and gene-level collapsing association studies identified 64 variants and 30 genes significantly associated with telomere length, including allelic series in ACD and RTEL1. Notably, 16% of these genes are known drivers of clonal hematopoiesis—an age-related somatic mosaicism associated with myeloid cancers and several nonmalignant diseases. Somatic variant analyses revealed gene-specific associations with telomere length, including lengthened telomeres in individuals with large SRSF2-mutant clones, compared with shortened telomeres in individuals with clonal expansions driven by other genes. Collectively, our findings demonstrate the impact of rare variants on telomere length, with larger effects observed among genes also associated with clonal hematopoiesis.
Generation and application of novel hES cell reporter lines for the differentiation and maturation of hPS cell-derived islet-like clusters
Authors: Zanfrini Elisa , Bandral Manuj , Jarc Luka , Ramirez-Torres Maria Alejandra , Pezzolla Daniela , Kufrin Vida , Rodriguez-Aznar Eva , Avila Ana Karen Mojica , Cohrs Christian , Speier Stephan , Neumann Katrin , Gavalas Anthony
Published: August 2024

The significant advances in the differentiation of human pluripotent stem (hPS) cells into pancreatic endocrine cells, including functional β-cells, have been based on a detailed understanding of the underlying developmental mechanisms. However, the final differentiation steps, leading from endocrine progenitors to mono-hormonal and mature pancreatic endocrine cells, remain to be fully understood and this is reflected in the remaining shortcomings of the hPS cell-derived islet cells (SC-islet cells), which include a lack of β-cell maturation and variability among different cell lines. Additional signals and modifications of the final differentiation steps will have to be assessed in a combinatorial manner to address the remaining issues and appropriate reporter lines would be useful in this undertaking. Here we report the generation and functional validation of hPS cell reporter lines that can monitor the generation of INS+ and GCG+ cells and their resolution into mono-hormonal cells (INSeGFP, INSeGFP/GCGmCHERRY) as well as β-cell maturation (INSeGFP/MAFAmCHERRY) and function (INSGCaMP6). The reporter hPS cell lines maintained strong and widespread expression of pluripotency markers and differentiated efficiently into definitive endoderm and pancreatic progenitor (PP) cells. PP cells from all lines differentiated efficiently into islet cell clusters that robustly expressed the corresponding reporters and contained glucose-responsive, insulin-producing cells. To demonstrate the applicability of these hPS cell reporter lines in a high-content live imaging approach for the identification of optimal differentiation conditions, we adapted our differentiation procedure to generate SC-islet clusters in microwells. This allowed the live confocal imaging of multiple SC-islets for a single condition and, using this approach, we found that the use of the N21 supplement in the last stage of the differentiation increased the number of monohormonal β-cells without affecting the number of α-cells in the SC-islets. The hPS cell reporter lines and the high-content live imaging approach described here will enable the efficient assessment of multiple conditions for the optimal differentiation and maturation of SC-islets.
Applying MALDI-TOF MS to resolve morphologic and genetic similarities between two Dermacentor tick species of public health importance
Authors: Galletti Maria F. B. M. , Hecht Joy A. , McQuiston John R. , Gartin Jarrett , Cochran Jake , Blocher Bessie H. , Ayres Bryan N. , Allerdice Michelle E. J. , Beati Lorenza , Nicholson William L. , Snellgrove Alyssa N. , Paddock Christopher D. ,   US Tick MALDI-TOF consortium, Kennedy Ashley , Molaei Goudarz , Lado Paula , Foley Janet , Goddard Jerome , Occi James L. , Padgett Kerry , Dykstra Elizabeth , Nolan Melissa , Cortinas Roberto , Sambado Samantha , Fink Sarah , Campbell Scott R. , Romer Yamila
Published: August 2024

Hard ticks (Acari: Ixodidae) have been historically identified by morphological methods which require highly specialized expertise and more recently by DNA-based molecular assays that involve high costs. Although both approaches provide complementary data for tick identification, each method has limitations which restrict their use on large-scale settings such as regional or national tick surveillance programs. To overcome those obstacles, the matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has been introduced as a cost-efficient method for the identification of various organisms, as it balances performance, speed, and high data output. Here we describe the use of this technology to validate the distinction of two closely related Dermacentor tick species based on the development of the first nationwide MALDI-TOF MS reference database described to date. The dataset obtained from this protein-based approach confirms that tick specimens collected from United States regions west of the Rocky Mountains and identified previously as Dermacentor variabilis are the recently described species, Dermacentor similis. Therefore, we propose that this integrative taxonomic tool can facilitate vector and vector-borne pathogen surveillance programs in the United States and elsewhere.
Personalized dose selection for the first Waldenström macroglobulinemia patient on the PRECISE CURATE.AI trial
Authors: Blasiak Agata , Tan Lester W. J. , Chong Li Ming , Tadeo Xavier , Truong Anh T. L. , Senthil Kumar Kirthika , Sapanel Yoann , Poon Michelle , Sundar Raghav , de Mel Sanjay , Ho Dean
Published: August 2024

The digital revolution in healthcare, amplified by the COVID-19 pandemic and artificial intelligence (AI) advances, has led to a surge in the development of digital technologies. However, integrating digital health solutions, especially AI-based ones, in rare diseases like Waldenström macroglobulinemia (WM) remains challenging due to limited data, among other factors. CURATE.AI, a clinical decision support system, offers an alternative to big data approaches by calibrating individual treatment profiles based on that individual’s data alone. We present a case study from the PRECISE CURATE.AI trial with a WM patient, where, over two years, CURATE.AI provided dynamic Ibrutinib dose recommendations to clinicians (users) aimed at achieving optimal IgM levels. An 80-year-old male with newly diagnosed WM requiring treatment due to anemia was recruited to the trial for CURATE.AI-based dosing of the Bruton tyrosine kinase inhibitor Ibrutinib. The primary and secondary outcome measures were focused on scientific and logistical feasibility. Preliminary results underscore the platform’s potential in enhancing user and patient engagement, in addition to clinical efficacy. Based on a two-year-long patient enrollment into the CURATE.AI-augmented treatment, this study showcases how AI-enabled tools can support the management of rare diseases, emphasizing the integration of AI to enhance personalized therapy.
Mapping the regulatory landscape for artificial intelligence in health within the European Union
Authors: Schmidt Jelena , Schutte Nienke M. , Buttigieg Stefan , Novillo-Ortiz David , Sutherland Eric , Anderson Michael , de Witte Bart , Peolsson Michael , Unim Brigid , Pavlova Milena , Stern Ariel Dora , Mossialos Elias , van Kessel Robin
Published: August 2024

Regulatory frameworks for artificial intelligence (AI) are needed to mitigate risks while ensuring the ethical, secure, and effective implementation of AI technology in healthcare and population health. In this article, we present a synthesis of 141 binding policies applicable to AI in healthcare and population health in the EU and 10 European countries. The EU AI Act sets the overall regulatory framework for AI, while other legislations set social, health, and human rights standards, address the safety of technologies and the implementation of innovation, and ensure the protection and safe use of data. Regulation specifically pertaining to AI is still nascent and scarce, though a combination of data, technology, innovation, and health and human rights policy has already formed a baseline regulatory framework for AI in health. Future work should explore specific regulatory challenges, especially with respect to AI medical devices, data protection, and data enablement.
Oversimplification and misestimation of nitrous oxide emissions from wastewater treatment plants
Authors: Song Cuihong , Zhu Jun-Jie , Willis John L. , Moore Daniel P. , Zondlo Mark A. , Ren Zhiyong Jason
Published: August 2024

Wastewater treatment is a major source of anthropogenic nitrous oxide (N2O) emissions. However, the current emission estimations rely on a uniform emission factor (EF) proposed by the Intergovernmental Panel on Climate Change based on a limited database suffering from large uncertainties and inaccuracies. To address this limitation, this study expands the database 12-fold and develops a tier-based approach. Our method considers emission variations across spatial scales, treatment processes and monitoring techniques, enabling more-precise estimations. Here, applying this approach to the US database, we highlight the limitations of current estimations based on uniform EFs and quantified the mean wastewater N2O emission in the United States to be 11.6 MMT CO2-eq. The results also reveal the diverse nature of wastewater N2O emissions and underscore the need for a customized approach to inform facility-level N2O emission estimation as well as inform national- and sector-wide greenhouse gases inventories with emphasis on site-specific considerations. Overall, this study provides a tool to recalibrate the estimations of wastewater N2O emissions, which form the foundation of carbon footprint reduction in wastewater treatment.
A cell state-specific metabolic vulnerability to GPX4-dependent ferroptosis in glioblastoma
Authors: Banu Matei A , Dovas Athanassios , Argenziano Michael G , Zhao Wenting , Sperring Colin P , Cuervo Grajal Henar , Liu Zhouzerui , Higgins Dominique MO , Amini Misha , Pereira Brianna , Ye Ling F , Mahajan Aayushi , Humala Nelson , Furnari Julia L , Upadhyayula Pavan S , Zandkarimi Fereshteh , Nguyen Trang TT , Teasley Damian , Wu Peter B , Hai Li , Karan Charles , Dowdy Tyrone , Razavilar Aida , Siegelin Markus D , Kitajewski Jan , Larion Mioara , Bruce Jeffrey N , Stockwell Brent R , Sims Peter A , Canoll Peter
Published: August 2024

Glioma cells hijack developmental programs to control cell state. Here, we uncover a glioma cell state-specific metabolic liability that can be therapeutically targeted. To model cell conditions at brain tumor inception, we generated genetically engineered murine gliomas, with deletion of p53 alone (p53) or with constitutively active Notch signaling (N1IC), a pathway critical in controlling astrocyte differentiation during brain development. N1IC tumors harbored quiescent astrocyte-like transformed cell populations while p53 tumors were predominantly comprised of proliferating progenitor-like cell states. Further, N1IC transformed cells exhibited increased mitochondrial lipid peroxidation, high ROS production and depletion of reduced glutathione. This altered mitochondrial phenotype rendered the astrocyte-like, quiescent populations more sensitive to pharmacologic or genetic inhibition of the lipid hydroperoxidase GPX4 and induction of ferroptosis. Treatment of patient-derived early-passage cell lines and glioma slice cultures generated from surgical samples with a GPX4 inhibitor induced selective depletion of quiescent astrocyte-like glioma cell populations with similar metabolic profiles. Collectively, these findings reveal a specific therapeutic vulnerability to ferroptosis linked to mitochondrial redox imbalance in a subpopulation of quiescent astrocyte-like glioma cells resistant to standard forms of treatment.
Drp1 splice variants regulate ovarian cancer mitochondrial dynamics and tumor progression
Authors: Javed Zaineb , Shin Dong Hui , Pan Weihua , White Sierra R , Elhaw Amal Taher , Kim Yeon Soo , Kamlapurkar Shriya , Cheng Ya-Yun , Benson J Cory , Abdelnaby Ahmed Emam , Phaëton Rébécca , Wang Hong-Gang , Yang Shengyu , Sullivan Mara L G , St.Croix Claudette M , Watkins Simon C , Mullett Steven J , Gelhaus Stacy L , Lee Nam , Coffman Lan G , Aird Katherine M , Trebak Mohamed , Mythreye Karthikeyan , Walter Vonn , Hempel Nadine
Published: August 2024

Aberrant mitochondrial fission/fusion dynamics are frequently associated with pathologies, including cancer. We show that alternative splice variants of the fission protein Drp1 (DNM1L) contribute to the complexity of mitochondrial fission/fusion regulation in tumor cells. High tumor expression of the Drp1 alternative splice variant lacking exon 16 relative to other transcripts is associated with poor outcome in ovarian cancer patients. Lack of exon 16 results in Drp1 localization to microtubules and decreased association with mitochondrial fission sites, culminating in fused mitochondrial networks, enhanced respiration, changes in metabolism, and enhanced pro-tumorigenic phenotypes in vitro and in vivo. These effects are inhibited by siRNAs designed to specifically target the endogenously expressed transcript lacking exon 16. Moreover, lack of exon 16 abrogates mitochondrial fission in response to pro-apoptotic stimuli and leads to decreased sensitivity to chemotherapeutics. These data emphasize the pathophysiological importance of Drp1 alternative splicing, highlight the divergent functions and consequences of changing the relative expression of Drp1 splice variants in tumor cells, and strongly warrant consideration of alternative splicing in future studies focused on Drp1.
Recent Advances in the Biosynthesis and Metabolic Engineering of Storage Lipids and Proteins in Seeds
Authors: McDonald Kallum , Singer Stacy D. , Chen Guanqun
Published: August 2024

During plant seed maturation, a key developmental step is the storage of biomolecules that remain within the embryo throughout dormancy and provide the necessary metabolites to support seedling growth. Seed storage lipids and proteins are among the most valuable materials for food, industrial, and other applications. Triacylglycerol (TAG) is the major storage lipid in most terrestrial plants and is an energy-dense molecule. TAGs are composed of one glycerol backbone esterified to three fatty acid (FA) tails and are highly abundant in the seeds of oleaginous plants. Seed storage proteins (SSPs) are polymers of amino acids (AAs) for nutrient storage and have a great variety of properties and compositions. Due to a growing global population and the climate-related need for petrochemical alternatives and non-animal protein sources, the demand for plant-sourced oils and proteins is steadily increasing. As such, there are strong research interests in exploring the biosynthesis and regulation of plant storage lipids and proteins and, subsequently, in using the knowledge gained to increase their accumulation and quality. In this chapter, we outline the current understanding of seed storage lipid and protein biosynthesis in higher plants, as well as promising genetic engineering strategies for optimizing the content and composition of these storage molecules.
Protein-based Materials for Functional Packaging
Authors: Jankhani Sarah , Chang Boon Peng , Mekonnen Tizazu H.
Published: August 2024

Most petroleum-derived food packaging materials are non-degradable, and their post-consumption disposal results in waste accumulation and environmental problems that threaten human health. Therefore, the development of biodegradable and renewable replacements is essential. In recent years, protein-based biopolymers have been extensively used in the food packaging industry and have shown great potential to displace conventional petroleum-based materials. However, the hydrophilicity of protein-based biopolymers results in poor resistance of the protein films against water vapor and their brittle nature, caused by the strong cohesive energy density, which restricts their chain flexibility. In this chapter, we discussed several physical, chemical, and biochemical methods to modify the physical and barrier properties of protein-based materials for functional green packaging applications.
Lipid- and Protein-based Nanodelivery Systems
Authors: Ghosal Anujit , Dissanayake Thilini , Bandara Nandika
Published: August 2024

Due to the bio-physicochemical properties, food-derived protein- and lipid-based nanodelivery systems are ideal for delivering bioactive compounds. However, numerous bioactive compounds have shown low aqueous solubility, poor bioavailability, and low dispersibility, resulting in a very low impact on health benefits. Being renewable, biodegradable, biocompatible, and amphipathic, lipid- and protein-derived nanodelivery systems can be an absolute carrier for these bioactive compounds to enhance bioavailability, stability, and controlled release in food and pharmaceutical practices. This chapter focuses on lipid- and protein-derived nanoformulations and their use in the loading and encapsulation of bioactive compounds, such as nutraceuticals and pharmaceuticals.
Protein- and Lipid-based Wound-healing Materials
Authors: Abeysinghe Nilakshi , Bandara Nandika
Published: August 2024

Wound care plays an important role in clinical settings due to the growing cases of burns and chronic wounds. Several forms of dressings have been developed to fulfill the worldwide diverse needs for wound dressings. Hence, polymer-based wound-curing biomaterials are designed to meet the demand. It is crucial to develop biopolymeric biomaterials to fabricate as wound dressings, as biocompatibility and less cytotoxicity are essential characteristics of the raw materials. Proteins and lipids have been recognized as potential candidates due to their outstanding features, such as high biodegradability and biocompatibility. Currently, several wound dressings are produced around the globe using various methods. These materials shorten the wound-healing time, provide extra care, and lower the risk of inflammation. The scope of this chapter focuses on the sources, applications, and processing techniques to evaluate the potential of protein- and lipid-based wound-healing materials.
Sulfonated-polypyrene aniline/polyaniline composite fortified with Cu-GQD@ZIF8 as an electrochemical enzymatic urea biosensor
Authors: Çamurcu Taşkın , Sanko Vildan , Ömeroğlu İpek , Tümay Süreyya Oğuz , Şenocak Ahmet
Published: August 2024

A novel electropolymerizable pyranine–aniline compound and Cu-containing GQD@ZIF8 hybrid material were synthesized and characterized. The systematically designed Urs/Cu-GQD@ZIF8/PANI/PA/GCE biosensor was used for the determination of urea.
Designing a flower-shaped ZnS/CoS heterojunction for efficient electroreduction of N2 to NH3
Authors: Gao Ze , Xu Ming , Liu Renming , Xu Hang , Chu Dongxue , Yang Daming , Feng Ming , Wang Ting , Jin Guangyong
Published: August 2024

In this study, a heterostructured electrocatalyst was designed and synthesized for the electrocatalytic conversion of N2 to NH3, and showed excellent performance.
Exploring porosity in a flexible 3D organic–inorganic {ZnII3(4DPNDI)[WV(CN)8]2} coordination network
Authors: Jędrzejowska Katarzyna , Kobylarczyk Jedrzej , Muzioł Tadeusz M. , Nowicka Beata , Jędrzejowski Damian , Matoga Dariusz , Gaweł Bartłomiej , Podgajny Robert
Published: August 2024

2D ZnII3[WV(CN)8]2·DMA CP was converted into flexible regenerable 3D 3rd-generation PCP ZnII3(4DPNDI)[WV(CN)8]2·DMA disclosing water, methanol, chloroform, and CO2 sorption ability.
Synthesis and characterization of chlorotriarylbismuthonium salts
Authors: Kuziola Jennifer , Nöthling Nils , Leutzsch Markus , Cornella Josep
Published: August 2024

This work fills the synthetic gap in the series of chlorotriarylpnictonium ions, by providing the heavier analogue based on bismuth.
The electrophilic methylating agent [SO2Me]+ parent of two cationic species
Authors: Hollenwäger Dirk , Bockmair Valentin , Kornath Andreas J.
Published: August 2024

Crystal structure of [FS(OH)(OMe)][SbF6], [FS(OMe)2][Sb2F11] and quantum chemical calculations significantly improve the understanding of the reaction of the [SO2Me]+ cation.
Non-directed oxidative annulation of 2-arylindazoles with electron deficient olefins via visible light photocatalysis
Authors: Das Krishna Kanta , Hajra Alakananda
Published: August 2024

We report a non-directed intermolecular annulation reaction for the synthesis of new heterocycle 5,6-dihydroindazolo[2,3-a]quinolines from 2-arylindazoles and electron-deficient olefins via two tandem C–C bond formations under photocatalysis.
Magnetic rod-like MIL-88B(Fe)/CoFe2O4 metal–organic framework decorated with Bi2O2CO3 nanoparticles for efficient catalytic reduction of toxic nitrophenols
Authors: Rahnama Nasrin , Farhadi Saeed , Mahmoudi Farzaneh
Published: August 2024

A ternary magnetic rod-like Bi2O2CO3/MIL-88B(Fe)/CoFe2O4 nanocomposite was prepared using a hydrothermal process and used for the room temperature rapid catalytic reduction of nitrophenols.
Dynamics analysis of twin formation for InP and preparation of 6 inch InP single crystals
Authors: Wang Shujie , Sun Niefeng , Shi Yanlei , Shao Huimin , Gu Zhanbiao , Li Xiaolan , Wang Yang , Zhang Wenya , Jiang Jian , Kang Yong , Zhang Xiaodan
Published: August 2024

Twin-free InP crystals can be grown under suitable growth conditions. A kinetic model for twin nucleation is proposed.
Computational study on the mechanism for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions
Authors: Galeas Dayana M. , Tolbatov Iogann , Colacino Evelina , Maseras Feliu
Published: August 2024

Computational chemistry is able to reproduce and explain experimental reaction times for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene both in solution and ball milling conditions.
Size-dependent acidity of aqueous nano-aerosols
Authors: Song Wanrong , Guo Shaoxun , Li Hui
Published: August 2024

The quantitative model of size-dependent aerosol acidity is proposed using multiphase buffer theory at a constant aerosol water content (AWC) through molecular dynamics simulations for deeper understanding pH-dependent multiphase aerosol chemistry.
Ab initio treatment of molecular Coster–Kronig decay using complex-scaled equation-of-motion coupled-cluster theory
Authors: Drennhaus Jan Philipp , Ferino-Pérez Anthuan , Matz Florian , Jagau Thomas-C.
Published: August 2024

Coster–Kronig decay accounts for more than 95% of the total decay width of L1-shell vacancies in argon and hydrogen sulfide.
Metal–ligand delocalization of iron and cobalt porphyrin complexes in aqueous solutions probed by soft X-ray absorption spectroscopy
Authors: Nagasaka Masanari , Tsuru Shota , Yamada Yasuyuki
Published: August 2024

Metal–ligand delocalization of metalloporphyrins in aqueous solutions was investigated by soft X-ray absorption spectroscopy, indicating that the coordination structures can be analyzed from ligand sides at nitrogen K-edges.
Intramolecular hydrogen-atom tunneling in matrix-isolated heterocyclic compounds: 2-thiouracil and its analogues
Authors: Rostkowska Hanna , Lapinski Leszek , Nowak Maciej J.
Published: August 2024

Hydrogen-atom tunneling was observed for monomers of 2-thiouracil, 1-methyl-2-thiouracil and 6-aza-2-thiouracil isolated in low-temperature matrices. The photoproduced higher-energy oxo-thiol tautomer converted into the lowest-energy oxo-thione form.
Chemistry, applications, and future prospects of structured liquids
Authors: Ghaffarkhah Ahmadreza , Hashemi Seyyed Alireza , Isari Ali Akbar , Panahi-Sarmad Mahyar , Jiang Feng , Russell Thomas P. , Rojas Orlando J. , Arjmand Mohammad
Published: August 2024

This review article centers around structured liquids and their underlying mechanisms. The focus is on the chemistry, applications, characterization, reconfigurability, and future prospects of this class of soft materials.
Structural and spectroscopic insights into the performance of K3Tb(PO4)2 green phosphor
Authors: Chornii Vitalii , Terebilenko Kateryna , Gural'skiy Il'ya , Slobodyanik Mykola , Zozulia Valeriia , Shova Sergiu , Zhydachevskyy Yaroslav , Nedilko Serhii G.
Published: August 2024

Crystals of K3Tb(PO4)2 have been grown by a fluorine-assisted flux method and the structure has been estimated by the single-crystal X-Ray diffraction method. The violet photoluminescence band of K3Tb(PO4)2 is reported for the first time.
Ba15Zr14Te42: a new complex ternary telluride structure with low thermal conductivity
Authors: Yadav Sweta , Niranjan Manish K. , Prakash Jai
Published: August 2024

We report the synthesis and detailed structural analysis of the complex Ba15Zr14Te42 phase. It is a degenerate semiconductor and shows extremely low lattice thermal conductivity of ∼0.46 W mK−1 at 773 K.
Multinuclear beryllium amide and imide complexes: structure, properties and bonding
Authors: Bekiş Deniz F. , Thomas-Hargreaves Lewis R. , Ivlev Sergei I. , Buchner Magnus R.
Published: August 2024

Multinuclear beryllium amides and imides were prepared and the bonding situation in these compounds was evaluated with the intrinsic bond orbital localization method to evaluate if electronic or steric factors are decisive for the complex geometries.
Electrolyte motion induced salt inhomogeneity – a novel aging mechanism in large-format lithium-ion cells
Authors: Solchenbach Sophie , Tacconis Camilla , Gomez Martin Aurora , Peters Verena , Wallisch Lea , Stanke Anna , Hofer Johanna , Renz Diemo , Lewerich Burkhard , Bauer Georg , Wichmann Moritz , Goldbach Daniel , Adam Alexander , Spielbauer Markus , Lamp Peter , Wandt Johannes
Published: August 2024

Electrolyte motion induced salt inhomogeneity (EMSI): during cycling, electrolyte moves into and out of the jelly roll, which leads to a lasting in-plane LiPF6 concentration gradient, possibly causing secondary effects like localized lithium plating.
Achieving biocompatibility and tailoring mechanical properties of SLA 3D printed devices for microfluidic and cell culture applications
Authors: Nelson Matt D. , Tresco Patrick A. , Yost Christian C. , Gale Bruce K.
Published: August 2024

Controlling material properties of SLA 3D printed constructs.
Soft, ternary, X- and gamma-ray shielding materials: paraffin-based iron-encapsulated carbon nanotube nanocomposites
Authors: Sobczak Jolanta , Truszkiewicz Adrian , Cwynar Krzysztof , Ruczka Szymon , Kolanowska Anna , Jędrysiak Rafał G. , Waśkiewicz Sylwia , Dzida Marzena , Boncel Sławomir , Żyła Gaweł
Published: August 2024

Paraffin composites with iron-encapsulated multi-walled carbon nanotubes (Fe@MWCNTs) (10 and 20 wt%) – lightweight, corrosion-resistant, and prone to shape change at the average room temperature with the warmth of hands.
Direct observation of guanine photo-oxidation from new potential anticancer drugs via ultrafast electron transfer
Authors: Cesaretti Alessio , Pantella Giulia , Reali Gianmarco , Consiglio Giuseppe , Fortuna Cosimo G. , Elisei Fausto , Spalletti Anna , Carlotti Benedetta
Published: August 2024

In this study, we report an insight into the mechanism of interaction of three methyl-pyridinium derivatives with DNA and RNA, whose complexation is accompanied by a quite uncommon fluorescence quenching due to the photo-oxidation of guanine.
A photoswitchable CENP-E inhibitor with single blue-green light to control chromosome positioning in mitotic cells
Authors: Matsuo Kazuya , Kikukawa Takashi , Waku Tomonori , Kobori Akio , Tamaoki Nobuyuki
Published: August 2024

A photoswitchable centromere-associated protein E (CENP-E) inhibitor based on the 4-methylaminoazobenzene photoswitch is reported, which is characterized with cis–trans photoisomerization with blue-green light and fast thermal relaxation.
Preparation and characterization of functionalized nickel ferrite nanoparticles with thioether used as a solid acid nanocatalyst for the synthesis of 2-aryl benzimidazoles
Authors: Eslami Atieh , Naeimi Hossein
Published: August 2024

In this research, the nanocomposite was prepared and used as a heterogeneous catalyst for the synthesis of 2-aryl benzimidazoles.
A non-covalently cross-linked self-healing hydrogel for drug delivery: characterization, mechanical strength, and anti-cancer potential
Authors: Jaiswal Sheetal , Kumar Sandeep , Yadav Paramjeet , Pal Krishtan , Afgan Shere , Acharya Arvind , Prakash Ravi , Maiti Pralay , Kumar Rajesh
Published: August 2024

This research article introduced a novel one-pot method for synthesizing hydrogels, utilizing iron ions (Fe3+) and guar gum succinate (GGS) as cross-linkers.
BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with d-glucose
Authors: Alkaş Adil , Kofsky Joshua M. , Sullivan Em C. , Nebel Daisy , Robertson Katherine N. , Capicciotti Chantelle J. , Jakeman David L. , Johnson Erin R. , Thompson Alison
Published: August 2024

BODIPYs appended with two boronic acids moieties provide turn-on emisison upon interaction with carbohydrates.
Shorter might be better: oligo(oxazoline)s for thermoresponsive polymersomes
Authors: Daoud Léa , Arsenie Laura Vasilica , Benkhaled Belkacem Tarek , Caillaud Kilian , Semsarilar Mona , Picton Luc , Le Cerf Didier , Lapinte Vincent
Published: August 2024

Amphiphilic oligomers of poly(2-oxazoline)s self-assemble in well-defined polymersomes tuneable by its thermosensitivity.
Catalytic system having an organotellurium ligand on graphene oxide: immobilization of Pd(0) nanoparticles and application in heterogeneous catalysis of cross-coupling reactions
Authors: Purohit Suraj , Oswal Preeti , Bahuguna Anurag , Tyagi Anupma , Bhatt Neeraj , Kumar Arun
Published: August 2024

Stabilization and immobilization of Pd(0) nanoparticles over organotellurium ligand functionalized graphene oxide: catalytic application in Suzuki–Miyaura and C–O coupling.
Bi-component sensing platform for the detection of Cd2+, Fe2+and Fe3+ ions
Authors: Sendh Jagajiban , Baruah Jubaraj B.
Published: August 2024

Use of N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)isonicotinamide or 2,6-pyridinedicarboxylic acid individually or as a bi-component system in distinguishing and detecting cations was investigated.
Closed-loop identification of enzyme kinetics applying model-based design of experiments
Authors: Hennecke Leon , Schaare Lucas , Skiborowski Mirko , Liese Andreas
Published: August 2024

This study presents an automated reactor platform for the identification of enzyme kinetic models using model-based design of experiments on the example of the reduction of NAD+ by formate dehydrogenase from Candida boidinii.
Multifunctioning graphene oxide capping layer for highly efficient and stable PEDOT:PSS–silicon hybrid solar cells
Authors: Sharma Ruchi K. , Srivastava Avritti , Punia Urvashi , Bansal Riya , Prajapat Pukhraj , Gupta Govind , Srivastava Sanjay K.
Published: August 2024

The application of graphene oxide (GO) capping layer over polymer is demonstrated for high-efficiency and stable PEDOT:PSS–Si hybrid solar cells in a simple device design, which may lead to the realization of cost-effective solar cell technology.
Ultrahigh sensitivity and extremely low limit of detection of picric acid with ionic-liquid modified poly(diphenylacetylene)
Authors: Hu Guangze , Chen Manyu , Xiong Zuping , Hu Haoyuan , Zhang Haoke , Sun Jing Zhi , Tang Ben Zhong
Published: August 2024

An ionic liquid-modified polydiphenylacetylene derivative achieves ultra-high sensitivity (Ksv > 105) and selectivity for picric acid detection, driven by electrostatic attraction, charge transfer, and fluorescence resonant energy transfer.
Highly stretchable nanocomposite piezofibers: a step forward into practical applications in biomedical devices
Authors: Mokhtari Fatemeh , Nam Hui Yin , Ruhparwar Arjang , Raad Raad , Razal Joselito M. , Varley Russell J. , Wang Chun H. , Foroughi Javad
Published: August 2024

Develop stretchable piezoelectric structures using biocompatible materials that convert biomechanical energy into electrical energy, ideal for wearable motion sensors, bio-implanted devices, and intelligent scaffolds for tissue and nerve stimulation.
Naked eye detection of arsenite, arsenate, and H2S by a Schiff base naphthaldehyde conjugate using a single paper strip, based on a deprotonation mechanism
Authors: De Diptiman , Ghosh Priyotosh , De Sriman , Sahoo Prithidipa
Published: August 2024

A ‘three-in-one’ paper strip-based colorimetric chemosensor for rapid, cost-effective, and selective sensing of arsenite, arsenate, and sulfide for on-site and real-time monitoring in environmental samples.
Learned infinite elements for helioseismology
Authors: Fournier D. , Hohage T. , Preuss J. , Gizon L.
Published: August 2024

Context. Acoustic waves in the Sun are affected by the atmospheric layers, but this region is often ignored in forward models because it increases the computational cost.

Aims. The purpose of this work is to take the solar atmosphere into account without significantly increasing the computational cost.

Methods. We solved a scalar-wave equation that describes the propagation of acoustic modes inside the Sun using a finite-element method. The boundary conditions used to truncate the computational domain were learned from the Dirichlet-to-Neumann operator, that is, the relation between the solution and its normal derivative at the computational boundary. These boundary conditions may be applied at any height above which the background medium is assumed to be radially symmetric.

Results. We show that learned infinite elements lead to a numerical accuracy similar to the accuracy that is obtained for a traditional radiation boundary condition in a simple atmospheric model. The main advantage of learned infinite elements is that they reproduce the solution for any radially symmetric atmosphere to a very good accuracy at low computational cost. In particular, when the boundary condition is applied directly at the surface instead of at the end of the photosphere, the computational cost is reduced by 20% in 2D and by 60% in 3D. This reduction reaches 70% in 2D and 200% in 3D when the computational domain includes the atmosphere.

Conclusions. We emphasize the importance of including atmospheric layers in helioseismology and propose a computationally efficient method to do this.
The correlation between dip width and peak flux in Cir X-1
Authors: Yu Zhuo-Li , Zhang Shu , Zhang Shuang-Nan , Li Xiang-Dong , Chen Yu-Peng , Peng Jing-Qiang , Shui Qing-Cang , Yan Zhe , Kong Ling-Da , Wang Peng-Ju
Published: August 2024

In this work we analyzed the long-term X-ray variation of Cir X-1 and its NICER spectra. The dip width and the peak flux after periastron are obtained. Our findings show a negative correlation between the dip width and the peak flux. A new scenario is introduced to explain the correlation. The disk height is higher at a larger radius in the standard model. When the neutron star (NS) moves away from periastron, the contraction of the equipotential surface causes the height of the outer disk to increase significantly. It blocks the X-ray emission near the NS. Subsequently, the height of the outer disk gradually decreases due to the viscosity. The viscous timescale is inversely proportional to the height of the disk, and the height of the outer disk is proportional to the mass transferred from the companion near periastron, thus the peak flux. Consequently, the duration of the obscuring, corresponding to the dip width, is inversely proportional to the peak flux. Moreover, we introduce a new ephemeris MJD(N) = 43075.0 + 16.5843N − 4.778 × 10−5N2 based on the dip-in phases (ingress phase of the dip).
Constraint on magnetized galactic outflows from LOFAR rotation measure data
Authors: Blunier J. , Neronov A.
Published: August 2024

Outflows from galaxies that are driven by active galactic nuclei and star formation activity spread magnetic fields into the intergalactic medium. The importance of this process can be assessed using cosmological magnetohydrodynamical numerical modeling of the baryonic feedback on the large-scale structure, such as that of IllustrisTNG simulations. We use the Faraday rotation measure data of the LOFAR Two-Metre Sky Survey (LoTSS) to test the IllustrisTNG baryonic feedback model. We show that the IllustrisTNG overpredicts the root mean square of the residual rotation measure in LoTSS, which suggests that pollution of the intergalactic medium by magnetized outflows from galaxies is less important than the estimate from IllustrisTNG. This fact supports the hypothesis that the volume-filling large-scale magnetic fields in voids of the large-scale structure are of cosmological origin.
JWST MIRI and NIRCam observations of NGC 891 and its circumgalactic medium
Authors: Chastenet Jérémy , De Looze Ilse , Relaño Monica , Dale Daniel A. , Williams Thomas G. , Bianchi Simone , Xilouris Emmanuel M. , Baes Maarten , Bolatto Alberto D. , Boyer Martha L. , Casasola Viviana , Clark Christopher J. R. , Fraternali Filippo , Fritz Jacopo , Galliano Frédéric , Glover Simon C. O. , Gordon Karl D. , Hirashita Hiroyuki , Kennicutt Robert , Nagamine Kentaro , Kirchschlager Florian , Klessen Ralf S. , Koch Eric W. , Levy Rebecca C. , McCallum Lewis , Madden Suzanne C. , McLeod Anna F. , Meidt Sharon E. , Mosenkov Aleksandr V. , Richie Helena M. , Saintonge Amélie , Sandstrom Karin M. , Schneider Evan E. , Sivkova Evgenia E. , Smith J. D. T. , Smith Matthew W. L. , van der Wel Arjen , Walch Stefanie , Walter Fabian , Wood Kenneth
Published: August 2024

We present new JWST observations of the nearby, prototypical edge-on, spiral galaxy NGC 891. The northern half of the disk was observed with NIRCam in its F150W and F277W filters. Absorption is clearly visible in the mid-plane of the F150W image, along with vertical dusty plumes that closely resemble the ones seen in the optical. A ∼10 × 3 kpc2 area of the lower circumgalactic medium (CGM) was mapped with MIRI F770W at 12 pc scales. Thanks to the sensitivity and resolution of JWST, we detect dust emission out to ∼4 kpc from the disk, in the form of filaments, arcs, and super-bubbles. Some of these filaments can be traced back to regions with recent star formation activity, suggesting that feedback-driven galactic winds play an important role in regulating baryonic cycling. The presence of dust at these altitudes raises questions about the transport mechanisms at play and suggests that small dust grains are able to survive for several tens of million years after having been ejected by galactic winds in the disk-halo interface. We lay out several scenarios that could explain this emission: dust grains may be shielded in the outer layers of cool dense clouds expelled from the galaxy disk, and/or the emission comes from the mixing layers around these cool clumps where material from the hot gas is able to cool down and mix with these cool cloudlets. This first set of data and upcoming spectroscopy will be very helpful to understand the survival of dust grains in energetic environments, and their contribution to recycling baryonic material in the mid-plane of galaxies.
Numerical and experimental study for process improvement of cross-wedge rolling of bearing steel balls
Authors: Wang Jiapeng , Wang Baoyu , Sun Chaoyang , Zhu Chuanbao
Published: August 2024

The uniaxial compression experiments were conducted on GCr15 bearing steel to obtain the flow stress curves under hot deformation conditions. Based on the results of uniaxial compression experiments, finite element modeling was conducted on the cross wedge rolling (CWR) of GCr15 bearing steel balls, and numerical simulation was conducted using Simufact Forming 16.0. The results show that the distribution of effective strain of existing CWR steel balls is uneven, which may lead to uneven quality of steel balls. In addition, the three principal stresses at the center of the steel balls are all tensile stresses, and the effective stress at the center of the middle ball is relatively large, which can easily induce central defects. Moreover, different diameter billets were used for steel balls rolling experiments. It can be seen that when the die cavity is underfilled with billet, the rolled steel balls have no central defects. When the die cavity is fulfilled with billet, there is central piercing appearing at the middle ball, while the side balls have no obvious central defects. Finally, the paper proposes the method of even numbered ball rolling (ENBR) which starts from the middle connector to improve the CWR process of steel balls.
Fast-cooling of aluminium alloy sheet metal for hot-stamping applications
Authors: Zhao Jie , Tian Yankang , Melville Daniel , Yang Song , Chen Bo , Qin Yi
Published: August 2024

The paper reports an investigation into two rapid sheet metal cooling designs that are suitable for applications in hot-stamping production -air cooling and contact cooling, aiming at improving formability of the high-strength aluminium sheets for the forming of components with complex geometries with enhanced overall process efficiency. The investigation involved both numerical modelling and experimental trials using an in-house developed prototype cooling tools. A series of contact cooling experiments were conducted, considering process variables such as initial blank temperatures, cooling die temperatures, die materials, surface conditions, etc. The results demonstrated that the cooling rate of the aluminium blank could be accurately controlled by both methods with appropriate pre-setting of the equipment and control of the process parameters. The integration of the cooling system into a polit hot-stamping production was also tried, considering industry-scale applications related factors. The results can serve as a design guidance for an industry to introduce such cooling methods and manufacturing facilities.
Vibration characterisation in new rotational vibration-assisted incremental sheet forming
Authors: Peng Wenxuan , Ouyang Xuan , Booth Jamie , Long Hui
Published: August 2024

An experimental study is conducted to measure vibrations of the deforming sheet induced by tool rotations in a newly developed incremental sheet forming (ISF) process, Rotational Vibration assisted ISF (RV-ISF). Two new tool designs, elliptical double-offset tool and rosette tool of four-grooves, are tested in the experiment. Non-contact measurements by Eddy current sensor are obtained to characterise vibration frequency and amplitude of the deforming sheet during the RV-ISF of an aluminium alloy.
Novel Heat Stamping of Ti6Al4V panels with high drawability and low springback
Authors: Wu Hao , Tian Famin , Tang Chuankai , Guo Ziang , Li Nan
Published: August 2024

Conventional commonly used titanium stamping techniques like hot forming and superplastic forming each have distinct disadvantages. Hot forming usually leads to limited formability and significant springback, whilst superplastic forming often results in long cycle times, high energy use, and costly tooling. A novel, energy-efficient, and cost-effective Heat Stamping process emerges as a promising solution. Two types of Ti6Al4V components, cup-shaped and U-shaped, were produced using the novel Heat Stamping process, and their properties were examined. A defect-free cup-shaped component achieving a considerably high draw ratio of up to 1.8, was successfully fabricated. A moderate enhancement in the hardness of the component indicated a superior post-form strength achieved by Heat Stamping. Further analysis of the U-shaped components shows that the one produced using the novel method demonstrated a notable reduction in springback angle, from 4.8° to 0.7°, highlighting the potential of H eat Stamping in achieving high shape accuracy for near-net-shape forming.