bluuebunny/crossref_metadata_2025 huggingface dataset:
Green Metrics for a Sustainable Approach in Iterative Processes
Authors: Cabri W. , Tolomelli A.
Published: October 2024

This chapter focuses on iterative processes of peptides and oligonucleotides (TIDES) with critical evaluation of the available green metrics developed for small molecules. Chemical syntheses of TIDES involve a large number of basic iterative reaction sequences, and some green metrics, such as the atom economy (AE) and ideality factor, become useless. The key green metrics that allow rapid comparisons of different syntheses or technologies are the reaction mass efficiency (RME), the process mass intensity (PMI) and the process mass intensity with recovery (PMIr). The “carbon footprint” is a useful metric for overall evaluation of a plant/business but not for comparisons of iterative technologies.
Sustainable Approaches to Chemo-enzymatic Peptide Synthesis (CEPS)
Authors: Toplak A. , Ricci A. , Cabri W.
Published: October 2024

The chapter reports the advances in engineered biocatalysts with broad substrate scope, improved activity, and stability that have recently emerged as sustainable methodologies for peptide synthesis thanks to their excellent regio- and chemoselectivity and mild operating conditions. A section is also devoted to native chemical ligation technology.
Oligopeptide Regulatory Affairs and Challenges
Authors: Wolf A. J. , Ricci A.
Published: October 2024

While limited harmonized regulatory guidance has been established for oligopeptide therapeutics, the regulatory environment can be understood from the limited guidance available in the form of country-specific guidance documents, compendia monographs, and external publications and abstracts. When evaluating the regulatory environment for peptide therapeutics, control of impurities and adequate characterization of the critical quality attributes are key areas of focus by the regulators when evaluating a marketing authorization application. Peptide manufacturers are expected to have knowledge about the potential impurities in their products and to ensure that the appropriate controls are in place during manufacturing and testing to ensure that the therapeutic product retains its quality attributes compared with the product used during clinical studies to establish safety and efficacy. All these aspects are described and critically discussed in this chapter, comprising the potential role and challenges that the greener approaches will play in this context.
Micro-fluidic covalent immobilization of multi-gradient RGD peptides on a gelatin surface for studying endothelial cell migration
Authors: Yang Yunong , Wang Yanxia , Li Yongjiang , Hu Xuqu , Tong Changgui , Xue Chundong , Qin Kairong
Published: October 2024

A micro-fluidic platform capable of generating GelMA substrates with various RGD concentration gradients was successfully developed for studying the migration of endothelial cells.
Lattice expansion of MnO induced by sulphur doping for enhanced aqueous zinc-ion diffusion and storage
Authors: Cui Zixiang , Shi Luwei , Lin Yan , Yang Shiliu , Wu Zhengyi , Hu Tao , Lassi Ulla , Ma Ruguang
Published: October 2024

Lattice expansion induced by S-doping obviously promotes the electron transport and the diffusion and storage of zinc ions in MnO.
Mn and Mo co-doped NiS nanosheets induce abundant Ni3+–O bonds for efficient electro-oxidation of biomass
Authors: Ren Pengfei , Wang Zixuan , Zhang Wenchao , Duan Fang , Lu Shuanglong , Du Mingliang , Zhu Han
Published: October 2024

MnMo–NiS were synthesized for electro-oxidizing ethylene glycol (EG), glycerol (GLY), and 5-hydroxymethylfurfural (HMF), achieving faradaic efficiencies of 97.5%, 98.6%, and 99.2%, and yield rates of 615.7, 475.5, and 333.9 μmol h−1 cm−2.
Self-assembly properties of zinc(ii) complexes with azo ligands grafted with dodecyl chains: towards supramolecular materials driven by coordination and hydrophobic effect
Authors: Gak Simić Kristina , Đorđević Ivana , Mašulović Aleksandra , Radovanović Lidija , Jeannin Olivier , Camerel Franck , Trišović Nemanja
Published: October 2024

Crystallographic and theoretical insight into the self-assembly of two zinc(ii) complexes is provided through analyzing an interplay of coordination and hydrophobic effects resulting from the interdigitation of the long alkyl chains of the ligands.
Mechanistic insights into the electron attachment process to guanosine in the presence of arginine
Authors: Sarmah Manash Pratim , Sarma Manabendra
Published: October 2024

The low-energy electrons (LEEs) attachment to arg–guanosine molecules leads to a dissociative electron attachment (DEA) more prominent in compared with guanosine molecules.
Comparing coupled cluster and composite quantum chemical methods for computing activation energies and reaction enthalpies of radical propagation reactions
Authors: Huber Timothy B. , Wheeler Ralph A.
Published: October 2024

The accuracy of DLPNO-CCSD(T)/CBS and composite methods G3(MP2)-RAD and CBS-RAD is assessed against CCSD(T)/aug-cc-pVTZ for activation energies and reaction enthalpies in hydrocarbon radical addition reactions relevant to free radical polymerization.
Photosensitizing CNTs by organotin(iv) compounds: generation of reactive oxygen species and degradation of amoxicillin
Authors: Thakur Sahil , Rohilla Jyoti , Sharma Sahil , Singh Raghubir , Kamboj Raman , Kaur Varinder
Published: October 2024

This work is based on probing photosensitization in carbon nanotubes (CNTs) by organotin(iv) compounds to fabricate a hybrid material with excellent photocatalytic activity and generation of reactive oxygen species.
Copper-assisted anticancer activity of hydroxycinnamic acid terpyridine conjugates on triple-negative breast cancer
Authors: Roy Anindya , Khatun Sajmina , Dewale Prashant Dattatraya , Rengan Aravind Kumar , Chinta Jugun Prakash
Published: October 2024

Cu(ii) complexes of hydroxycinnamic acid conjugated terpyridine derivatives were developed as anticancer agents towards highly metastatic triple negative breast cancer (TNBC). These complexes showed good activity towards TNBC with good selectivity index.
Thermally stable C2-symmetric α-diimine nickel precatalysts for ethylene polymerization: semicrystalline to amorphous PE with high tensile and elastic properties
Authors: Li Xiaoxu , Hu Zexu , Mahmood Qaiser , Wang Yizhou , Sohail Sunny , Zou Song , Liang Tongling , Sun Wen-Hua
Published: October 2024

Two sets of C2-symmetric α-diimine nickel complexes—nickel bromide and nickel chloride—were investigated to simultaneously regulate chain walking, chain transfer, and polymer microstructure in the synthesis of polyethylene elastomers.
NiII, PdII and PtII pincer complexes of 2-(diphenylphosphanyl)-N-(2-(diphenyl-phosphanyl)benzyl)benzamide: synthesis, reactivity and catalytic studies
Authors: Dwivedi Khilesh C. , Sabharwal Gazal , Kote Basvaraj S. , Balakrishna Maravanji S.
Published: October 2024

This paper describes the synthesis of bis(phosphine), o-Ph2PC6H4C(O)N(H)CH2C6H4PPh2-o and its group 10 metal chemistry and catalytic studies.
Electrodialysis and nitrate reduction (EDNR) to enable distributed ammonia manufacturing from wastewaters
Authors: Guo Jinyu , Liu Matthew J. , Laguna Chloe , Miller Dean M. , Williams Kindle S. , Clark Brandon D. , Muñoz Carolina , Blair Sarah J. , Nielander Adam C. , Jaramillo Thomas F. , Tarpeh William A.
Published: October 2024

Underutilized wastewaters containing dilute levels of reactive nitrogen (Nr) can help rebalance the nitrogen cycle.
Well-regulated structure-featuring giant-molecule acceptors enable long-term stability and high-performance binary organic solar cells
Authors: Shi Jingyu , Ding Pengfei , Zhu Jintao , Chen Zhenyu , Gao Shuangjiao , Yu Xueliang , Liao Xiaochun , Liu Quan , Ge Ziyi
Published: October 2024

Through systematically selecting the numbers and positions of selenium atom of giant-molecule acceptors, the device based on PM6:GMA-SSeS yields the highest PCE of 19.37% with high VOC of 0.917 V and exhibits extended t80% lifetimes of 5600 h.
Visible light-driven α-sulfonylation of ketone-derived silyl enol ethers via an electron donor–acceptor complex
Authors: Saxena Barakha , Patel Roshan I. , Sharma Anuj
Published: October 2024

We herein describe a versatile electron donor–acceptor complex (EDA) mediated α-sulfonylation of ketone-derived silyl enol ethers using thiosulfonates (acceptor) with DABCO (donor) under visible light irradiation.
Integrated device for plasma separation and nucleic acid extraction from whole blood toward point-of-care detection of bloodborne pathogens
Authors: Ayers Abigail G. , Victoriano Christia M. , Sia Samuel K.
Published: October 2024

This work presents PRECISE, a device that integrates plasma separation and nucleic acid extraction, enabling streamlined sample preparation of whole blood for point-of-care diagnostics without external equipment or electricity.
Nanomedicine marvels: crafting the future of cancer therapy with innovative statin nano-formulation strategies
Authors: Karimi Jirandehi Ashkan , Asgari Reza , Keshavarz Shahbaz Sanaz , Rezaei Nima
Published: October 2024

The use of statins in cancer therapy is promising. Nanoformulations of statins offer higher bioavailability, increased tumor concentration, better drug resistance reversal, and fewer side effects compared to free forms.
Ligand effect on surface reconstruction in CdSe quantum dots driven by electron injection in electroluminescence processes
Authors: Huo Xiangyu , Xie Yujuan , Wang Xian , Zhang Li , Yang Mingli
Published: October 2024

Quantum dots passivated by different ligand types produce two distinct reactions after electron injection in the electroluminescence process.
Electrophoretic assisted fabrication of additive-free WS2 nanosheet anodes for high energy density lithium-ion batteries
Authors: Pham Xuan-Manh , Patil Niraj Nitish , Abdul Ahad Syed , Kapuria Nilotpal , Owusu Kwadwo Asare , Geaney Hugh , Singh Shalini , Ryan Kevin M.
Published: October 2024

2D WS2 were synthesized via the hot-injection method, followed by their electrophoretic deposition (EPD) on the current collector. EPD is an effective approach to fabricating additive-free anodes, thereby greatly boosting the energy density of LIBs.
Retraction: Time-controllable roll-up onset of polythiophene sheets into nanotubes that exhibit circularly polarized luminescence
Authors: Kameta N. , Shimizu T.
Published: October 2024

Retraction of ‘Time-controllable roll-up onset of polythiophene sheets into nanotubes that exhibit circularly polarized luminescence’ by N. Kameta and T. Shimizu, Nanoscale, 2020, 12, 2999–3006, https://doi.org/10.1039/C9NR08032E.
Correction: BaSc2(HPO3)4(H2O)2: a new nonlinear optical phosphite exhibiting a 3D {[Sc2(HPO3)4]2−}∞ anionic framework and phase-matchable SHG effect
Authors: Tang Ru-Ling , Liu Gang-Xiang , Yao Wen-Dong , Zhang Li-Nan , Liu Wenlong , Guo Sheng-Ping
Published: October 2024

Correction for ‘BaSc2(HPO3)4(H2O)2: a new nonlinear optical phosphite exhibiting a 3D {[Sc2(HPO3)4]2−}∞ anionic framework and phase-matchable SHG effect’ by Ru-Ling Tang, et al., Inorg. Chem. Front., 2022, 9, 5377–5385, https://doi.org/10.1039/D2QI01549H.
Investigating the effect of overbased sulfonates on calcium sulfonate complex grease: enhancements in physicochemical, rheological, and tribological properties
Authors: Zheng Ming , Ren Guanlin , Wang Siyuan , Li Yulong , Xing Mingcai
Published: October 2024

The calcium sulfonate complex grease was formulated by different ratios of T106D and T107. The addition of T107 enhanced the physicochemical, rheological and tribological properties due to its excellent compatibility with base oil, high structural strength, and film-forming properties.
Porous liquids: an integrated platform for gas storage and catalysis
Authors: Li Errui , Siniard Kevin M. , Yang Zhenzhen , Dai Sheng
Published: October 2024

In this perspective, recent discoveries in the integration of gas storage and catalysis by leveraging PL platforms have been summarized, highlighting the unique features different from those of traditional homogeneous or heterogeneous procedures.
Scalable one-pot synthesis of amorphous iron-nickel-boride bifunctional electrocatalysts for enhanced alkaline water electrolysis
Authors: Schmitt Bennett , Murphy Eva , Trivedi Sinny J. , Zhang Qiancheng , Rodriguez Brian J. , Rafferty Aran , Bekarevich Raman , Ersek Gabor , Portale Giuseppe , Sofianos M. Veronica
Published: October 2024

Making green hydrogen cost effective by scalable iron nickel boride bifunctional electrocatalysts that can easily reach industrial current densities.
Retraction: Methane conversion for hydrogen production: technologies for a sustainable future
Authors: Hameed Safia , Comini Elisabetta
Published: October 2024

Retraction of ‘Methane conversion for hydrogen production: technologies for a sustainable future’ by Safia Hameed et al., Sustainable Energy Fuels, 2024, 8, 670–683, https://doi.org/10.1039/D3SE00972F.
Microrheology of gemini surfactants at interfaces and in solutions in the dilute and semidilute regimes
Authors: Medfai Mayssa , Stocco Antonio , Blanc Christophe , Nobili Maurizio , In Martin
Published: October 2024

The interface of semidilute Gemini surfactant solutions remains fluid and is less viscous than the bulk. Depletion of the viscosity near the interface plays a key role in microrheology.
Comparing direct pyrolysis and post-impregnation in the synthesis of atomic Fe active sites for solvent-free aerobic coupling of benzylamine
Authors: Lu Guilong , Shen Zewen , Schwiderowski Philipp , Böttger Jannik , Herrendorf Tim , Kleist Wolfgang , Li Xiaoyu , Zhao Guixia , Peng Baoxiang , Huang Xiubing , Muhler Martin
Published: October 2024

A comprehensive comparison reveals that direct pyrolysis outperforms post-impregnation in preparing atomic Fe sites, as it precisely controls the metal content and temperature, resulting in an optimized carbonization degree of the carbon supports.
Understanding the catalysis of noble metals in reduction of iron oxide by hydrogen: insights from DFT calculations
Authors: Tang Qiming , Lei Xueling , Zhang Yongliang , Lu Jiaxin , Huang Kevin
Published: October 2024

Ir effectively catalyzes the cleavage of Fe–O bonds and H2 spillover on the surface of Fe3O4 (111).
Largely enhanced electromagnetic wave absorption via surface coating of carbonyl iron particles with liquid metal
Authors: Xie Kang , Zhang Qin , Chen Feng , Fu Qiang
Published: October 2024

CIP@LM heterointerfaces can efficiently control polarization losses, balance impedance matching in magnetic materials, and boost electromagnetic wave absorption.
Homogeneous bulk heterojunction domains with continuous charge pathway via hydrophobic membrane filtration for stable photo and dark current operations
Authors: Park Hyunguk , Lim Jihyun , Kim Byung Gi , Jang Woongsik , Wang Dong Hwan
Published: October 2024

Hydrophobic membrane filtration addresses solubility issues related to solvent and molecular weight. Organic optoelectronics with filtration exhibit stable operation under varying light intensities, reducing leakage current and improving charge flow.
A dual-emission ratiometric fluorescent sensor L/J-CDs with specific response to cetirizine hydrochloride in environmental water samples
Authors: Li Zhixiang , Li Juandi , Chen Jingjing , Du Shuaijing , Du Yingxiang
Published: October 2024

A ratiometric fluorescent sensor L/J-CDs was constructed for the determination of cetirizine hydrochloride. In addition, visual detection of cetirizine hydrochloride was realized under ultraviolet lamp.
Ion-doped lead-free double perovskite Cs2NaBiCl6 with multiple excitation and tunable emission towards light emitting and anti-counterfeiting applications
Authors: Pei Junxiang , Li Haofeng , Yuan Xiaodong , Su An , Yu Dechao , Zhang Dawei
Published: October 2024

Ion doped lead-free double perovskite Cs2NaBiCl6 with multiple excitation and tunable emission was fabricated towards light emitting (CNBC:30%Br−, 15%Mn2+) and anti-counterfeiting applications (CNBC:30%Br−, 15%Mn2+, 12%Er3+, 12%Yb3+), respectively.
Class‐wised domain decoupling‐guided adversarial feature learning for cross‐age face recognition
Authors: Wu Yongbo , Hu Haifeng , Chen Dihu
Published: October 2024

How to extract age‐independent identity features from face images has long been the major challenge in cross‐age face recognition task. In this letter, a class‐wised domain decoupling‐guided adversarial feature learning network to extract age‐independent face features is proposed. In this model, an adversarial feature learning module is designed to decompose identity features and age features. Considering that artificially designed age interference suppression strategies are difficult to fit the complex relationship between identity features and age features, an adversarial training strategy incorporated with an attention mechanism in the adversarial feature learning module is introduced to suppress age interference adaptively. Besides, under the idea of maximizing the distribution difference of identity feature domain and age feature domain, a class‐wised domain decoupling module is further designed to guide the model to extract age‐independent identity features. The proposed model has been validated on the well‐known public datasets CALFW and CACD‐VS, where it achieved remarkable recognition accuracy rates of 94.5% and 99.5%, respectively. This represents improvements of 4.2% and 0.1% over the state‐of‐the‐art single‐task‐based models, clearly showcasing the effectiveness of the proposed class‐wised domain decoupling‐guided adversarial feature learning model.
A spatiotemporal learning approach to safety‐oriented individualized driving risk assessment in a vehicle‐to‐everything (V2X) environment
Authors: Li Jing , Wang Xuantong , Zhang Tong
Published: October 2024

Advances in real‐time basic safety message (BSM) data from sensor‐equipped vehicles have created new opportunities for driving risk assessments. This paper presents a machine learning approach using BSM data to provide fine‐grained risk assessments, focusing on safety‐critical events (SCEs) related to driving profiles, vehicle states, and road conditions. This approach formulates a bi‐level risk indicator: one level measures the observable frequency of SCEs, while the other estimates their likelihood. The coarse level calculates risk scores by classifying driving profiles as normal or risky based on SCE frequency. The fine level refines these scores by comparing normal and risky profiles using key features from a feature learning model. This combined system accounts for recent driving behaviours and road/weather conditions within a vehicle‐to‐everything (V2X) environment, addressing high data dimensionality and imbalance. A comprehensive case study using 1 year of data from pilot V2X infrastructure in Tampa, Florida, demonstrates the efficacy of this approach, showing practical applications of the SCE‐based risk indicator and combinatorial feature learning while also highlighting the real‐world utility of the assessment method in providing a detailed and actionable view of driving risk based on V2X information.
Threshold voltage instability of SiC MOSFETs under very‐high temperature and wide gate bias
Authors: Chen Cong , Cai Yumeng , Sun Peng , Zhao Zhibin
Published: October 2024

Threshold voltage (VTH) instability affects the reliability of silicon carbide (SiC) MOSFETs. In this article, the influence of gate bias (VGS) and high temperature on VTH instability is investigated under wide VGS and very‐high temperature range (150°C to 275°C). The degradation mechanism of gate oxide under coupling of different electrical and thermal stress is revealed. When the device is subjected to +VGS, the relationship between VTH shift and temperature is not monotonic and there is a temperature turning point. This is mainly related to the capture/release and generation of electron traps. However, the VTH shift increases sharply and gate oxide breakdown for the device bias at +35 V, which is related to Fowler–Nordheim (F–N) tunnelling effect. For a large −VGS, the VTH shift is very small. Moreover, when the negative VGS decreases, the VTH shift is positively correlated with temperature, which may result from the activation and charge exchange of hole traps. However, the influence of moving ions changes the temperature dependence of VTH shift for the device bias at −30 V. Finally, the devices of different manufacturers are studied and similar change patterns are found. This finding provides guidance for the further application of SiC MOSFETs under high temperatures and different voltages.
Optimal planning of SOP in distribution network considering 5G BS collaboration
Authors: Hou Zihao , Long Chao , Qi Qi , Liu Xiangjun , Wang Kejia
Published: October 2024

The flexibility of soft open point (SOP) in spatial power regulation enhances the distribution network's (DN) integration of large‐scale renewable energy sources. However, the high cost of SOP and its limited capability for temporal power regulation impede its widespread adoption. Given the rapid expansion of 5G base stations (BSs), utilizing their energy storage to participate in DN planning and operation optimization provides a promising solution. Therefore, this paper proposes an optimal planning method of SOP in DN, considering collaborations with 5G BSs. The objective is to enhance DN’s power regulation in both temporal and spatial dimensions, while minimizing the investment cost of SOP and fully utilizing the unused capacity in base station energy storage (BSES). Firstly, the flexible regulation models of SOP and 5G BS are established, with the real‐time dispatchability of BSES formulated. Then, a bi‐level optimization model is proposed, where the planning layer aims to minimize the total cost, while the operational layer aims to decrease the average voltage deviation. Additionally, an improved Shapley value method based on interactive power is developed for benefit allocation, which enhances the engagement of 5G BSs to participate in DN regulation. The effectiveness of proposed method is validated by simulation results.
Modelling absorption and emission profiles from accretion disc winds with WINE
Authors: Luminari A. , Piconcelli E. , Tombesi F. , Nicastro F. , Fiore F.
Published: October 2024

Context. Fast and massive winds are ubiquitously observed in the UV and X-ray spectra of active galactic nuclei (AGNs) and other accretion-powered sources. Several theoretical and observational pieces of evidence suggest they are launched at accretion disc scales, carrying significant mass and angular momentum. Thanks to such high-energy output, they may play an important role in transferring the energy released by accretion to the surrounding environment. In the case of AGNs, this process can help to set the so-called co-evolution between an AGN and its host galaxy, which mutually regulates their growth across cosmic time. To precisely assess the effective role of UV and X-ray winds at accretion disc scales, it is necessary to accurately measure their properties, including mass and energy rates. However, this is a challenging task, due to both the limited signal-to-noise ratio of available observations and the limitations of the models currently used in the spectral analysis.

Aims. We aim to maximise the scientific return of current and future observations by improving the theoretical modelling of these winds through our Winds in the Ionised Nuclear Environment (WINE) model. WINE is a spectroscopic model specifically designed for disc winds in AGNs and compact accreting sources, which couples photoionisation and radiative transfer with special relativistic effects and a three-dimensional model of the emission profiles.

Methods. We explore with WINE the main spectral features associated with the disc winds in AGNs, with a particular emphasis on the detectability of the wind emission in the total transmitted spectrum. We explore the impact of the wind ionisation, column density, velocity field, and geometry in shaping the emission profiles. We simulated observations with the X-ray microcalorimeter Resolve on board the recently launched XRISM satellite and the X-IFU on board the future Athena mission. This allows us to assess the capabilities of these telescopes in the study of disc winds in X-ray spectra of AGNs for the typical physical properties and exposure times of the sources included in the XRISM performance verification phase.

Results. The wind kinematic and geometry (together with the ionisation and column density) deeply affect both shape and strength of the wind spectral features. Thanks to this, both Resolve and, on a longer timescale, X-IFU will be able to accurately constrain the main properties of disc winds over a broad range of ionisation, column densities, and covering factors. We also investigate the impact of the spectral energy distribution (SED) on the resulting appearance of the wind. Our findings reveal a dramatic difference in the gas opacity when using a soft, Narrow Line Seyfert 1-like SED compared to a canonical powerlaw SED with a spectral index of Γ ≈ 2.
Multiwavelength identification of millisecond pulsar candidates in the Galactic bulge
Authors: Berteaud J. , Calore F. , Clavel M. , Marvil J. , Hyman S. , Schinzel F. K. , Kerr M.
Published: October 2024

Context. The existence of a population of millisecond pulsars in the Galactic bulge is supported, along with other evidence, by the Fermi GeV excess, an anomalous γ-ray emission detected almost 15 years ago in the direction of the Galactic center. However, radio surveys searching for pulsations have not yet revealed bulge millisecond pulsars.

Aims. Identifying promising bulge millisecond pulsar candidates is key to motivating pointed radio pulsation searches. Candidates are often selected among steep-spectrum or polarized radio sources, but multiwavelength information can also be exploited: The aim of this work is to pinpoint strong candidates among the yet unidentified X-ray sources.

Methods. We investigated the multiwavelength counterparts of sources detected by the Chandra X-ray observatory that have spectral properties expected for millisecond pulsars in the Galactic bulge. We considered that ultraviolet, optical, and strong infrared counterparts indicate that an X-ray source is not a bulge pulsar, while a radio or a faint infrared counterpart makes it a promising candidate.

Results. We identify a large population of more than a thousand X-ray sources without optical, ultraviolet, or strong infrared counterparts. Among them, five are seen for the first time in unpublished radio imaging data from the Very Large Array. We provide the list of promising candidates, for most of which follow-up pulsation searches are ongoing.
[CII] line intensity mapping the epoch of reionization with the Prime-Cam on FYST
Authors: Karoumpis C. , Magnelli B. , Romano-Díaz E. , Garcia K. , Dev A. , Clarke J. , Wang T.-M. , Bădescu T. , Riechers D. , Bertoldi F.
Published: October 2024

Context. The Fred Young Submillimeter Telescope (FYST) line intensity mapping (LIM) survey will measure the power spectrum (PS) of the singly ionized carbon 158 μm fine-structure line, [CII], to trace the appearance of the first galaxies that emerged during and right after the epoch of reionization (EoR, 6 <  z <  9).

Aims. We aim to quantify the contamination of the (post-)EoR [CII] LIM signal by foreground carbon monoxide (CO) line emission (3 <  Jup <  12) and assess the efficiency to retrieve this [CII] LIM signal by the targeted masking of bright CO emitters.

Methods. Using the IllustrisTNG300 simulation, we produced mock CO intensity tomographies based on empirical star formation rate-to-CO luminosity relations. Combining these predictions with the [CII] PS predictions of the first paper of this series, we evaluated a masking technique where the interlopers are identified and masked using an external catalog whose properties are equivalent to those of a deep Euclid survey.

Results. Prior to masking, our [CII] PS forecast is an order of magnitude lower than the predicted CO contamination in the 225 GHz ([CII] emitted at z = 6.8 − 8.3) band of the FYST LIM survey, at the same level in its 280 GHz ([CII] emitted at z = 5.3 − 6.3) and 350 GHz ([CII] emitted at z = 4.1 − 4.8) bands, and an order of magnitude higher in its 410 GHz ([CII] emitted at z = 3.4 − 3.9) band. For our fiducial model, the optimal masking depth is reached when less than 10% of the survey volume is masked at 350 and 410 GHz but around 40% at 280 GHz and 60% at 225 GHz. At these masking depths we anticipate a detection of the [CII] PS at 350 and 410 GHz, a tentative detection at 280 GHz, whereas at 225 GHz the CO signal still dominates our model. In the last case, alternative decontamination techniques will be needed.
Radial properties of dust in galaxies: Comparison between observations and isolated galaxy simulations
Authors: van der Giessen S. A. , Matsumoto K. , Relano M. , De Looze I. , Romano L. , Hirashita H. , Nagamine K. , Baes M. , Palla M. , Hou K. C. , Faesi C.
Published: October 2024

We study the importance of several processes that influence the evolution of dust and its grain size distribution on spatially resolved scales in nearby galaxies. Here, we compiled several multi-wavelength observations for the nearby galaxies NGC 628 (M74), NGC 5457 (M101), NGC 598 (M33), and NGC 300. We applied spatially resolved spectral energy distribution (SED) fitting to the latest iteration of infrared data to get constraints on the galaxy dust masses and the small-to-large grain abundance ratio (SLR). We separated each galaxy into radial rings and obtained the radial profiles of the properties mentioned above. For comparison, we took the radial profiles of the stellar mass and gas mass surface density for NGC 628 combined with its metallicity gradient in the literature to calibrate a single-galaxy simulation using the GADGET4-OSAKA code. The simulations include a parametrization to separate the dense and diffuse phases of the ISM where different dust-evolution mechanisms are in action. We find that our simulation can reproduce the radial profile of dust mass surface density but overestimates the SLR in NGC 628. Changing the dust-accretion timescale has little impact on the dust mass or SLR, as most of the available metals are accreted onto dust grains at early times (< 3 Gyr), except in the outer regions of the galaxy where the metallicity is below 2 × 10−3. This suggests we can only constrain the accretion timescale of galaxies at extremely low metallicities where accretion still competes with other mechanisms controlling the dust budget. The overestimation of the SLR likely results from (i) overly efficient shattering processes in the diffuse interstellar medium (ISM), which were calibrated to reproduce Milky Way-type galaxies and/or (ii) our use of a diffuse and dense gas density subgrid model that does not entirely capture the intricacies of the small-scale structure present in NGC 628. We conclude that future modeling efforts will need to focus on improving the subgrid recipes to mimic the multi-phase gas distribution in galaxies before the efficiency of dust evolution processes can be calibrated for galaxies other than the Milky Way.
Structure-property relationships of polydisperse open-cell foams: Application to melamine foams
Authors: Nguyen Cong Truc , Li Dengke , Xiong Ziming , He Mu , Gautron Laurent , Duval Arnaud , Perrot Camille
Published: October 2024

Melamine foam, categorized as an open-cell foam structure, absorbs sound through its three-dimensional network of thin struts. The pore size polydispersity within the open-cell melamine microstructure is evidenced from a top-down approach and confirmed by scanning electron microscope (SEM)-image analysis. The remarkable ability of melamine foams to mitigate sound energy is attributed to the pore size distribution, which encompasses co-existing pores of distinct characteristic sizes. Consequently, low-frequency and high-frequency fluid flows will follow different paths within the pore structure. A poly-sized model, which provides a connection between microstructure polydispersity and macroscopic properties, is successfully applied to three different melamine foams. This work highlights the significance and implications of polydispersity effects on the acoustic behavior of open-cell foams.
A mathematica code for evaluating lateral-torsional buckling of tapered cantilevers
Authors: Yilmaz Tolga
Published: October 2024

Lateral-torsional buckling (LTB) is the primary failure mode where slender cantilevers experience nonuniform twisting and buckling about their weak axes. The studies focused on the elastic LTB load of cantilevers are limited, most of which are numerical since the LTB failure mode of cantilevers is much more complicated than those of simply supported beams. Furthermore, there are only a few studies of the LTB of tapered I-section cantilevers, which are aesthetic and structurally efficient. Structural designers tend to evaluate the LTB of tapered cantilevers using finite element simulations, but it requires specific experience and computational effort. The present study intends to close the gap in the literature related to tapered cantilevers, establish an analytical procedure providing rapid treatment, and develop a code for the solution. The analytical model considers first-order moment gradient through the cantilever, load position along the cross-section, mono-symmetry property of I-section, tapering of web, flange, or simultaneously web and flange to assess LTB of tapered cantilevers. The developed Mathematica code based on the analytical model has been verified with 3D finite element analysis, and it is demonstrated that the proposed code can be safely used to assess the LTB of tapered cantilevers.
Stabilization of muscat’s expansive soil using bottom ash from medical waste incineration
Authors: Al-Alawi Hilal Salim Khamis , Al-Masqari Ahmed Rashid Humaid , Chowdhury Morsaleen S. , Al Amri Al Khalil A. , Umar Abdullah A.
Published: October 2024

Expansive soils are inherently known for exhibiting significant volumetric change in response to slight variation in the moisture content. In this study, medical waste material in the form of bottom ash (BA) was investigated as a potential stabilizer for expansive soil. The unique characteristics of BA, such as its cost-effectiveness and availability as a residue, establish it as a potent stabilizer for expansive soils compared to other alternatives. The locally collected expansive soil from Muscat was identified to be of poorly clay type with high plasticity (CH) based on the USCS, and A-6 according to AASHTO classification. The BA was obtained from the medical waste treatment plant of the Be’ah Company in Oman. Samples were prepared by treating the expansive soil with BA in percentages of 6%, 8%, 10%, and 12% by mass. It was found that the pH level of the treated soil continued to reduce with increasing BA content, which was indicative of the reaction between the expansive soil and BA particles. The unconfined compression strength (UCS) test yielded a 57.63% increase over that of untreated expansive soil at 28 days of curing. Similarly, the California Bearing Ratios (CBR) of the treated soils were up to two times higher than the untreated soil, both in its unsoaked and soaked conditions. Based on the results of the UCS, CBR and linear shrinkage tests, the optimum quantity of BA required for treating the expansive soil was determined to 10%, beyond which no further enhancement in the UCS, CBR or shrinkage attributes of the soil was observed. Overall, the outcomes of this research highlight the potential of medical waste material, specifically bottom ash, as a sustainable stabilizer for expansive soil in construction applications.
Analysis of reaction dynamics considering MAD by Langevin equation
Authors: Aritomo Yoshihiro , Amano Shota , Takagi Shinya , Ohta Masahisa
Published: October 2024

In heavy ion fusion and nucleon transfer reactions, which lead to the synthesis of superheavy elements, it is important to understand the reaction mechanisms. The fusion reaction mechanism is analyzed in the case of deformed target nuclei such as actinide target nuclei. We have analyzed the correlation between fission fragment mass and scattering angle (MAD) using the Langevin equation. Taking into account the effect of the collision direction between the projectile and deformed target nuclei, we present the analysis of the experimental data for the MAD of 32S+232Th.
Sub-Coulomb nuclear studies using Indirect Methods: Recent results with the Trojan Horse Method
Authors: Tumino Aurora
Published: October 2024

Our knowledge on how stars evolve depends on understanding two key factors: energy production and chemical evolution. Both factors are determined by thermonuclear reactions. Unfortunately, directly measuring them in a laboratory can be challenging: often, the reaction cross section are too small or require radioactive targets that are impractical to work with. To overcome these challenges, indirect techniques have been developed. One such technique, the Trojan Horse Method, makes use of transfer reactions to determine cross sections of reactions relevant in stellar burning processes. Here we will explore the Trojan Horse Method in the relevant details, explaining how it is used in nuclear astrophysics and we will delve into examples of THM measurements.
Sequential fission and the influence of 208Pb closed shells on the dynamics of superheavy element synthesis reactions
Authors: Hinde D.J. , Jeung D.Y. , Buete J. , Cook K.J. , Dasgupta M. , Simenel C. , Simpson E.C. , Albers H.M. , Carter I.P. , Düllmann Ch.E. , Khuyagbaatar J. , Prasad E. , Sengupta C. , Smith J.F. , Vo-Phuoc K. , Walshe J. , Williams E. , Yakushev A.
Published: October 2024

Measured binary quasifission mass spectra in reactions with actinide nuclides show a large peak in yield near the doubly-magic 208Pb, generally attributed to enhanced binding energy causing a valley in the potential energy surface, which attracts quasifission trajectories. Measurements of binary quasifission mass spectra and cross-sections have been made for reactions of 50Ti with actinide nuclides from 232Th to 249Cf. Cross-sections have also been deduced for sequential fission (a projectile-like nucleus and two fragments from fission of the complementary target-like nucleus). Binary cross-sections fall from 70% of calculated capture cross-sections for 232Th to only 40% for 249Cf, with a compensating increase in sequential fission cross-sections. The data are consistent with the peak in yield near 208Pb originating largely from sequential fission of heavier fragments produced in more mass-asymmetric primary quasifission events. These are increasingly suppressed as the heavy quasifission fragment mass increases above 208Pb. The important role of sequential fission calls for re-interpretation of quasifission observables and dynamics in superheavy element synthesis reactions.
Spectroscopy of neutron-rich nuclei produced by multinucleon transfer reactions at KISS
Authors: Watanabe Yutaka , Hirayama Yoshikazu , Mukai Momo , Niwase Toshitaka , Schury Peter , Rosenbusch Marco , Ishiyama Hironobu , Jeong Sun-Chan , Miyatake Hiroari , Wada Michiharu , Kimura Sota , Iimura Shun , Moon Jun Young , Hashimoto Takashi , Taniguchi Akihiro
Published: October 2024

Properties such as lifetimes and masses of neutron-rich nuclei are key parameters for elucidating the astrophysical rapid neutron capture process (r-process). Due to the lack of experimental nuclear data in the relevant extremely neutron-rich region, especially near and above N = 126, the predictions of theoretical nuclear models are crucial for simulating r-process nucleosynthesis. Experimental studies of the properties and structures of neutron-rich nuclei from near the β stability line up to the r-process path provide important inputs to these theoretical models, improving the accuracy of predictions for the nuclear properties involved in the rprocess. We are developing the KEK Isotope Separation System (KISS) at the RIKEN RIBF facility to produce and separate these nuclei to perform spectroscopy experiments. The nuclei of interest are produced by multinucleon transfer reactions, which have been recently attracting renewed interest as they provide a way to access neutron-rich nuclei that are diﬃcult to produce by other methods such as complete fusion or fragmentation. We have performed nuclear and laser spectroscopy, lifetime and mass measurements of neutron-rich nuclei of refractory elements near the N = 126 region using 198,natPt, natTa, natW, and natIr targets irradiated with 136Xe beams. We also extend our spectroscopic studies into the neutron-rich actinide region using 238U beams. This paper introduces the KISS facility and provides an overview of the nuclear spectroscopy experiments carried out there. We also introduce the KISS-1.5 project, which was started in FY2024 to further extend the research into the neutron-rich region.
Shell effects in fission and quasi-fission
Authors: Simenel C. , Bernard R. , Blanchon G. , Godbey K. , Lee H. , McGlynn P. , Umar A.S.
Published: October 2024

Quantum shell eﬀects are responsible for asymmetric fission. They are also expected to aﬀect the formation of fission fragments in quasi-fission reactions occurring in heavy-ion collisions. Shell eﬀects in fission are studied with the single-particle energy level density near the Fermi level. In particular, shell eﬀects in the pre-fragments and their role in fixing the final mass asymmetry of the fission fragments are discussed. Systematic time-dependent Hartree-Fock simulations of heavy-ion collisions show that quasi-fission fragment properties share strong similarities with fragments formed in fission of the compound nuclei. This is an indication that similar shell eﬀects are responsible for the final asymmtery in both mechanisms.
Observation of suppression of heavy-ion fusion by slow quasifission
Authors: Bezzina L. T. , Simpson E. C. , Hinde D. J. , Dasgupta M.
Published: October 2024

The formation of superheavy elements (SHEs) by nuclear fusion can be conceptually divided into two steps: capture, and compound nucleus formation. Once captured, the two nuclei may reseparate before fusing to form a compact compound nucleus. This outcome is called quasifission.

Fusion-fission, in many cases, leads to reactions outcomes inseparable from quasifission. Evaporation residue (ER) measurements are therefore the most reliable, direct experimental signature of fusion. ER cross section measurements forming the same compound nucleus, 220Th, using 16O, 40Ar, 48Ca, 82Se and 124Sn-induced reactions [1–4] revealed [1] that fusion was severely suppressed for the more symmetric reactions relative to the 16O-induced reaction.

Here two new reactions forming 220Th using 28Si, 34S projectiles provide conclusive evidence that the ER cross section is exponentially suppressed as a function of ZpZt. The fission characteristics show no mass-angle correlation, demonstrating that here ER cross sections are suppressed by slow quasifission.
Coulomb and symmetry-energy effects on proton and neutron density-distributions in central heavy-ion collisions, across beam energies and system masses
Authors: Stone Jirina R. , Danielewicz Pawel , Iwata Yoritaka
Published: October 2024

In this contribution, we review our current and previous investigations of total, proton, and neutron particle number densities and the asymmetry of proton and neutron density distributions achievable in central heavy-ion collisions at beam energy below 800 MeV/nucleon. Furthermore, the effects of the Coulomb interaction and the dependence on a system size in three representative symmetric and asymmetric Ca, Sn and Pb systems are studied. The Boltzmann-Uhlenbeck-Uehling (pBUU) transport and Time-Dependent Hartree-Fock (TDHF) models, employing the SVbas, SkT3 and SVsym Skyrme interactions, are used in these simulations. We find that (i) the highest total densities predicted at Ebeam = 800 MeV/nucleon are on the order of ∼ 2.5ρ0 (ρ0 = 0.16 fm−3), (ii) the proton-neutron asymmetry for maximal densities, δ = (ρnmax−ρpmax)/(ρnmax+ρpmax) do not generally exceed the asymmetry in the initial state of the collision at all beam energies and tend to decrease during the reaction, and (iii) a significant portion of this asymmetry has its microscopic origin in Coulomb forces, masking the pure nuclear contribution. In addition, the evolution of normalized maximal proton, neutron, and total nucleon number density with increasing beam energy, the impact of correlations in the reaction, and the time evolution of the proton and neutron density distributions in the plane transverse to the beam direction are illustrated and discussed.
Atomic models for description of high-Z impurities dynamics in tokamak plasmas – summary of HARMONIA project
Authors: Bielecki Jakub , Dworak Dominik , Jardin Axel , Król Krzysztof , Mazon Didier , Savoye-Peysson Yves , Scholz Marek , Walkowiak Jędrzej
Published: October 2024

Since the year 2019, the project entitled „Study of the mutual dependence between Lower Hybrid current drive and heavy impurity transport in tokamak plasmas ”has been jointly executed by Polish (IFJ PAN) and French (CEA-IRFM) research teams. A particularly crucial topic studied within this project is the influence of not fully ionized high-Z impurities (e.g. tungsten ions) on suprathermal electrons dynamics. The influence can be studied using a Fokker-Planck solver. However, in this case, it is necessary to modify the electron-ion collision operator, in order to incorporate the efect of partially ionized high-Z atoms, arising from uncontrolled influxes of impurities. This, in turn, requires atomic models that are accurate enough but allow preforming fast and eﬃcient calculations for all elements present in the plasma, regardless their local level of ionization. For this purpose, a few simple atomic models for elastic and inelastic collisions of electrons with high-Z ions have been proposed and implemented into a Fokker-Planck solver – LUKE code and DREAM (Disruption and Runaway Electron Analysis Model) code. Those semi-empirical atomic models have been calibrated and optimized using results of Density Functional Theory (DFT) calculations, Dirac-Fock-Slater (DFS) method, relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) method or available reference experimental data. This paper introduces to the achievement of the whole project, with a special emphasis placed on eforts to incorporate the physics of partially ionized high-Z elements in kinetic calculations.
Fission trajectory analysis using ML techniques
Authors: Mukobara Yuta , Chiba Satoshi , Fujio Kazuki , Katabuchi Tatsuya , Ishizuka Chikako
Published: October 2024

This research analyzed trajectories of nuclear fission leading to symmetric or assymmetric mass division, obtained by a four-dimensional Langevin-model, using machine learning models. A hybrid neural network, combining Long Short-Term Memory (LSTM) and Gated Recurrent Unit (GRU), both of which were types of Recurrent Neural Networks (RNN), was utilized to classify whether each Langevin trajectory led to symmetric or asymmetric mass division. It was found that the current model could classify fate of these trajectories before reaching to the final destination (symmetric or assymmetric mode) with an accuracy of over 70%, clearly overestimating the asymmetric data.
Ultra-Low Energy Nuclear Fusion by Cs(2H,γ)La
Authors: Oryu Shinsho , Watanabe Takashi , Hiratsuka Yasuhisa , Takeda Masayuki
Published: October 2024

We found that certain three-body excited states of 55133Cs13H2 in the Pd12 cuboctahedron molecule could interfere with the three-nucleon resonance states of Cs+t+t or 57139 La∗ which transfer from the 7/2+ state of CsH2 to 7/2+ state of La∗ by the E2 transition, and down to the La ground state, although the molecular ground state and the first excited state of 55133Cs13H2 are very stable. The three-body calculation is performed by using six potentials. We also found that the critical fusion value of t × ρ × T (t:duration time, ρ: plasma density, T : temperature or energy) for the ultra low energy molecular synthesis is almost the same as that for the thermal nuclear fusion, or higher. It is claimed that the radioactive nuclear waste products of the nuclear fission, could form via nuclear fusion a stable nucleus due to our ultra-low energy molecule-nucleus transition.