bluuebunny/crossref_metadata_2025 huggingface dataset:
Perioperative sintilimab and neoadjuvant anlotinib plus chemotherapy for resectable non-small-cell lung cancer: a multicentre, open-label, single-arm, phase 2 trial (TD-NeoFOUR trial)
Authors: Duan Hongtao , Shao Changjian , Luo Zhilin , Wang Tianhu , Tong Liping , Liu Honggang , Yao Xin , Lei Jie , Zhao Jinbo , Gao Yuan , Jiang Tao , Yan Xiaolong
Published: October 2024

This open-label, single-arm, phase 2 trial evaluated the efficacy and safety of neoadjuvant sintilimab combined with anlotinib and chemotherapy, followed by adjuvant sintilimab, for resectable NSCLC. Forty-five patients received anlotinib (10 mg, QD, PO, days 1–14), sintilimab (200 mg, day 1), and platinum-based chemotherapy of each three-week cycle for 3 cycles, followed by surgery within 4–6 weeks. Adjuvant sintilimab (200 mg) was administered every 3 weeks. The primary endpoint was achieving a pathological complete response (pCR). From June 10, 2021 through October 10, 2023, 45 patients were enrolled and composed the intention-to-treat population. Twenty-six patients (57.8%) achieved pCR, and 30 (66.7%) achieved major pathological response (MPR). Forty-one patients underwent surgery. In the per-protocol set (PP set), 63.4% (26/41) achieved pCR, and 73.2% achieved MPR. The median event-free survival was not attained (95% CI, 25.1-NE). During the neoadjuvant treatment phase, grade 3 or 4 treatment-related adverse events were observed in 25 patients (55.6%), while immune-related adverse events were reported in 7 patients (15.6%). We assessed vascular normalization and infiltration of immune-related cells by detecting the expression of relevant cell markers in NSCLC tissues with mIHC. Significant tumor microenvironment changes were observed in pCR patients, including reduced VEGF+ cells and CD4+Foxp3+ Treg cells, and increased perivascular CD4+ T cells, CD39+CD8+ T cells, and M1 macrophages. In conclusion, perioperative sintilimab and neoadjuvant anlotinib plus chemotherapy achieved pCR in a notable proportion of patients with resectable NSCLC and were associated with profound changes in the tumour microenvironment (ClinicalTrials.gov NCT05400070).
Stochastic properties of musical time series
Authors: Nelias Corentin , Geisel Theo
Published: October 2024

Musical sequences are correlated dynamical processes that may differ depending on musical styles. We aim to quantify the correlations through power spectral analysis of pitch sequences in a large corpus of musical compositions as well as improvised performances. Using a multitaper method we extend the power spectral estimates down to the smallest possible frequencies optimizing the tradeoff between bias and variance. The power spectral densities reveal a characteristic behavior; they typically follow inverse power laws (1/f β-noise), yet only down to a cutoff frequency, where they end in a plateau. Correspondingly the pitch autocorrelation function exhibits slow power law decays only up to a cutoff time, beyond which the correlations vanish. We determine cutoff times between 4 and 100 quarter note units for the compositions and improvisations of the corpus, serving as a measure for the degree of persistence and predictability in music. The histogram of exponents β for the power law regimes has a pronounced peak near β = 1 for classical compositions, but is much broader for jazz improvisations.
Rupture strength of living cell monolayers
Authors: Duque Julia , Bonfanti Alessandra , Fouchard Jonathan , Baldauf Lucia , Azenha Sara R. , Ferber Emma , Harris Andrew , Barriga Elias H. , Kabla Alexandre J. , Charras Guillaume
Published: October 2024

To fulfil their function, epithelial tissues need to sustain mechanical stresses and avoid rupture. Although rupture is usually undesired, it is central to some developmental processes, for example, blastocoel formation. Nonetheless, little is known about tissue rupture because it is a multiscale phenomenon that necessitates comprehension of the interplay between mechanical forces and biological processes at the molecular and cellular scales. Here we characterize rupture in epithelial monolayers using mechanical measurements, live imaging and computational modelling. We show that despite consisting of only a single layer of cells, monolayers can withstand surprisingly large deformations, often accommodating several-fold increases in their length before rupture. At large deformation, epithelia increase their stiffness multiple fold in a process controlled by a supracellular network of keratin filaments. Perturbing the keratin network organization fragilized the monolayers and prevented strain-stiffening. Although the kinetics of adhesive bond rupture ultimately control tissue strength, tissue rheology and the history of deformation set the strain and stress at the onset of fracture.
Energy management and demand side management framework for nano-grid under various utility strategies and consumer’s preference
Authors: Elias Youliana Bimen , Yousef Mariem Y. , Mohamed Abdalla , Ali A. A. , Mosa Magdi A.
Published: October 2024

This research proposes a day-ahead scheduling utilizing both demand side management (DSM), and Energy Management (EM) in a grid-tied nanogrid comprises of photovoltaic, battery, and diesel generator for optimizing the generation cost and the energy not supplied (at grid-outage). Wider terminology is introduced to combine both load controllability (considered in traditional DSM), and interval capability to accommodate additional loads defined as flexible, non-flexible, and semi-flexible intervals. Moreover, the user selection for EM or combined operation of EM with DSM at different degrees of interval flexibility is defined as user preference. In addition, three utility’s operations are considered denoted as fixed rate pricing (FRP), time-of-use (ToU) pricing, and FRP with grid-outage. Hence, the suggested framework utilizes the opportunities of generation diversity, the electricity pricing strategy, and the load flexibility. The obtained result show that, DSM with flexible intervals reduces the cost by 21.02%, 25.23%, and 18.15% for FRP, ToU, and FRP with grid-outage scenarios respectively. And cost reduction by 20.41%, 22.42%, and 17.81% for DSM with semi-flexible intervals and 16.24%, 21.15%, and 13.8% for DSM with non-flexible intervals. This cost reduction is associated with full utilization of renewable energy generation and reduction of the energy from/to battery which enhances its lifetime or reduces the required battery size during design stage for cost and provisions saving in flexible and semi-flexible intervals. A hybrid optimization technique of Moth-flame optimization algorithm, and Lagrange’s multiplier is proposed and confirms its effectiveness with detailed comparison with other techniques.
Considerations of growth factor and material use in bone tissue engineering using biodegradable scaffolds in vitro and in vivo
Authors: Marshall Karen M. , Wojciechowski Jonathan P. , Jayawarna Vineetha , Hasan Abshar , Echalier Cécile , Øvrebø Øystein , Yang Tao , Zhou Kun , Kanczler Janos M. , Mata Alvaro , Salmeron-Sanchez Manuel , Stevens Molly M. , Oreffo Richard O. C.
Published: October 2024

Bone tissue engineering aims to harness materials to develop functional bone tissue to heal ‘critical-sized’ bone defects. This study examined a robust, coated poly(caprolactone) trimethacrylate (PCL-TMA) 3D-printable scaffold designed to augment bone formation. Following optimisation of the coatings, three bioactive coatings were examined, i) elastin-like polypeptide (ELP), ii) poly(ethyl acrylate) (PEA), fibronectin (FN) and bone morphogenetic protein-2 (BMP-2) applied sequentially (PEA/FN/BMP-2) and iii) both ELP and PEA/FN/BMP-2 coatings applied concurrently. The scaffold material was robust and showed biodegradability. The coatings demonstrated a significant (p < 0.05) osteogenic response in vitro in alkaline phosphatase gene upregulation and alkaline phosphatase production. The PCL-TMA scaffold and coatings supported angiogenesis and displayed excellent biocompatibility following evaluation on the chorioallantoic membrane assay. No significant (p < 0.05) heterotopic bone formed on the scaffolds within a murine subcutaneous implantation model, compared to the positive control of BMP-2 loaded collagen sponge following examination by micro-computed tomography or histology. The current studies demonstrate a range of innovative coated scaffold constructs with in vitro efficacy and clearly illustrate the importance of an appropriate in vivo environment to validate in vitro functionality prior to scale up and preclinical application.
Social negotiation and “accents” in Western lowland gorillas’ gestural communication
Authors: Prieur Jacques , Liebal Katja , Pika Simone
Published: October 2024

Recent findings on chimpanzee infants’ gestural development show that they use some gesture types flexibly and adjust them depending on their interaction partner and social context, suggesting that gestural communication is partly learnt and partly genetically determined. However, how gesture types are shaped by social and demographic factors remains unclear. We addressed this question by focusing on gesture type morphology and conducted a fined-grained analysis of gestural form during intraspecific social-play interactions in two captive groups of Western lowland gorillas (Gorilla gorilla gorilla). We focused on the most frequent gesture types (beat chest, slap body, slap ground and touch body) produced by subadults (infants, juveniles and adolescents). We considered twelve morphological gesture characteristics (e.g., horizontal and vertical hand trajectories, fingers flexion and spread). Our multifactorial investigation shows that morphological characteristics of distinct gesture types can be shaped by social factors, namely signaller’s sociodemographic characteristics (group and kinship), signaller’s behavioural characteristics (body posture) and context-related characteristics (recipient’s sex, attentional state and position in the signaller’s visual field). We nurtured the lively debate concerning gesture origins by revealing the existence of “accents” in non-verbal communication and the highly variable adjustment of gestural form to different conspecifics and interactional characteristics, which supports the revised social negotiation hypothesis.
Sustainable pretreatment method of lignocellulosic depolymerization for enhanced ruminant productivity using laccase protein immobilized agarose beads
Authors: Pradeep Kumar Vidya , Sridhar Manpal
Published: October 2024

Laccase, the selectively lignin degrader, vital to the initiation of lignocellulosic deconstruction was immobilized onto activated agarose beads to increase its reuse potential. Laccase cross-linked beads (~ 3.42 mm) recorded a specific activity of 23 Umg− 1, retaining about 80.43% enzyme activity after 45 days of storage. The immobilization yield and efficiency were 89% and 97% respectively. The equilibrium data fitted the Freundlich equation (R2 = 0.9987) demonstrating multilayer adsorption and the presence of Cu, Fe, and S in the elemental analysis of immobilized beads established effective binding between activated agarose beads and the laccase protein. Characterization studies of the immobilized laccase-treated crop residues revealed significant differences in the lignin polymer after each treatment cycle. An increase in digestibility of 26.21% and 7.62% was observed in paddy and finger millet-treated straws respectively, over the controls corroborating efficient lignin depolymerization. The propitious performance of laccase beads authenticated in the batch enzymatic reactor to treat crop residues paves headway as a sustainable green technology in the deconstruction of crop residues for use as ruminant feed, augmenting productivity.
Preoperative echocardiography and anesthetic drugs as predictors of post-induction hypotension during general anesthesia: a prospective observational study
Authors: Son Kyongsuk , Tarao Kentaroh , Daimon Masao , Yoshii Tomoaki , Nakagomi Atsushi , Hasegawa-Moriyama Maiko
Published: October 2024

Post-induction hypotension (PIH) during general anesthesia is a serious concern due to its high incidence and association with adverse postoperative outcomes and prognosis. We prospectively enrolled consecutive 1,603 patients scheduled for non-cardiac and cardiac surgery under general anesthesia. The primary outcome was defined as the lowest mean blood pressure from induction of general anesthesia to the start of surgery: post-induction blood pressure (PIB). Multivariable regression analysis was used to investigate the relationships between PIB and preoperative echocardiographic measurements, types and doses of anesthetic agents, and preoperative comorbidities and oral medication. Left ventricle regional wall motion abnormality (RWMA) and lower estimated glomerular filtration rate significantly associated lower PIB. Factors significantly associated with higher PIB were high BMI, beta blockers, high pre-induction mean blood pressure, and starting induction in the afternoon. Sevoflurane and prophylactic norepinephrine use were associated with higher PIB as anesthetic interventions. Significant interactions were found between sevoflurane and RWMA (P for interaction: 0.01). This is the first study to demonstrate the feasibility of intervening in the selection of anesthetic agents based on echocardiographic findings and to recommend the use of sevoflurane and prophylactic norepinephrine for the prevention of PIH, especially in patients with RWMA.
Circulating amino acid signature features urea cycle alterations associated with coronary artery disease
Authors: Prechtl Luisa , Carrard Justin , Gallart-Ayala Hector , Borreggine Rébecca , Teav Tony , Königstein Karsten , Wagner Jonathan , Knaier Raphael , Infanger Denis , Streese Lukas , Hinrichs Timo , Hanssen Henner , Ivanisevic Julijana , Schmidt-Trucksäss Arno
Published: October 2024

Coronary artery disease (CAD) remains a leading cause of death worldwide and imposes a substantial socioeconomic burden on healthcare. Improving risk stratification in clinical practice could help to combat this burden. As amino acids are biologically active metabolites whose involvement in CAD remains largely unknown, this study investigated associations between circulating amino acid levels and CAD phenotypes. A high-coverage quantitative liquid chromatography-mass spectrometry approach was applied to acquire the serum amino acids profile of age- and sex-coarsened-matched patients with CAD (n = 46, 66.9 years, 74.7% male) and healthy individuals (n = 120, 67.4 years, 74.7% male) from the COmPLETE study. Multiple linear regressions were performed to investigate associations between amino acid levels and (a) the health status (CAD vs. healthy), (b) the number of affected coronary arteries, or (c) the left ventricular ejection fraction. Regressions were adjusted for age, sex, daily physical activity, sampling, and fasting time. Urea cycle amino acids (ornithine, citrulline, homocitrulline, aspartate, and arginine) were significantly and negatively associated with CAD, the number of affected coronary arteries, and the left ventricular ejection fraction. Lysine, histidine, and the glutamine/glutamate ratio were also significantly and negatively associated with the CAD phenotypes. Overall, patients with CAD displayed lower levels of urea cycle amino acids, highlighting a potential role for urea cycle amino acid profiling in cardiovascular risk stratification.

Trial registration

The study was registered on https://www.clinicaltrials.gov (NCT03986892) on June 5, 2019.
Preparation and characterization of a new Gd2O3-epoxy composite for neutron shielding applications
Authors: Safavi Seyed Mohammadreza , Outokesh Mohammad , Vosoughi Naser , Yahyazadeh Amin , Mohammadi Aghil , Kiani Mohammad Amin , Jabalamelian Seyed Sajad
Published: October 2024

The current study aims to introduce a new polymeric composite consisting of epoxy resin as the matrix and gadolinium oxide (Gd2O3) as the neutron adsorption ingredient. The shielding performance of the composite was assessed by neutron attenuation experiments with an Am-Be source and polyethylene moderator. The results of these experiments showed an appreciable agreement with the Monte Carlo simulations. Other characteristics of the composite, including mechanical strength, thermal stability, microtexture, and its chemical compositions, were examined using standard tensile test, thermogravimetric analysis, X-ray diffraction, scanning electron microscopy, static light scattering analyses, and Fourier-transform infrared spectroscopy (FTIR). The results indicated that the new composites offer appreciable neutron absorption properties so that samples with 0.5%, 2%, 5%, and 10% Gd2O3 content could reduce the neutron beam intensity by 54%, 63%, 66%, and 70% at a thickness of 4 cm.
Imaging in-operando LiCoO2 nanocrystallites with Bragg coherent X-ray diffraction
Authors: Serban David , Porter Daniel G. , Mokhtar Ahmed H. , Nellikkal Mansoor , Uthayakumar Sivaperumal , Zhang Min , Collins Stephen P. , Bombardi Alessandro , Li Peng , Rau Christoph , Newton Marcus C.
Published: October 2024

Although the LiCoO2 (LCO) cathode material has been widely used in commercial lithium ion batteries (LIB) and shows high stability, LIB’s improvements have several challenges that still need to be overcome. In this paper, we have studied the in-operando structural properties of LCO within battery cells using Bragg Coherent X-ray Diffraction Imaging to identify ways to optimise the LCO batteries’ cycling. We have successfully reconstructed the X-ray scattering phase variation (a fingerprint of atomic displacement) within a  ≈ (1.6 × 1.4 × 1.3) μm3 LCO nanocrystal across a charge/discharge cycle. Reconstructions indicate strained domains forming, expanding, and fragmenting near the surface of the nanocrystal during charging, with a determined maximum relative lattice displacements of 0.467 Å. While discharging, all domains replicate in reverse the effects observed from the charging states, but with a lower maximum relative lattice displacements of 0.226 Å. These findings show the inefficiency-increasing domain dynamics within LCO lattices during cycling.
Ependymal cell lineage reprogramming as a potential therapeutic intervention for hydrocephalus
Authors: Kaplani Konstantina , Lalioti Maria-Eleni , Vassalou Styliani , Lokka Georgia , Parlapani Evangelia , Kritikos Georgios , Lygerou Zoi , Taraviras Stavros
Published: October 2024

Hydrocephalus is a common neurological condition, characterized by the excessive accumulation of cerebrospinal fluid in the cerebral ventricles. Primary treatments for hydrocephalus mainly involve neurosurgical cerebrospinal fluid diversion, which hold high morbidity and failure rates, highlighting the necessity for the discovery of novel therapeutic approaches. Although the pathophysiology of hydrocephalus is highly multifactorial, impaired function of the brain ependymal cells plays a fundamental role in hydrocephalus. Here we show that GemC1 and McIdas, key regulators of multiciliated ependymal cell fate determination, induce direct cellular reprogramming towards ependyma. Our study reveals that ectopic expression of GemC1 and McIdas reprograms cortical astrocytes and programs mouse embryonic stem cells into ependyma. McIdas is sufficient to establish functional activity in the reprogrammed astrocytes. Furthermore, we show that McIdas’ expression promotes ependymal cell regeneration in two different postnatal hydrocephalus mouse models: an intracranial hemorrhage and a genetic form of hydrocephalus and ameliorates the cytoarchitecture of the neurogenic niche. Our study provides evidence on the restoration of ependyma in animal models mimicking hydrocephalus that could be exploited towards future therapeutic interventions.
Room temperature dithiocarbamation of 2-tetralones with elemental sulfur and isothiocyanates S8/R–NCS: atom-efficient access to 4-hydroxythiazolidine-2-thiones
Authors: Nguyen Le Anh , Ngo Quoc Anh , Retailleau Pascal , Nguyen Thanh Binh
Published: October 2024

Room temperature synthesis of 4-hydroxythiazolidine-2-thiones by dithiocarbamation of 2-tetralones with elemental sulfur and isothiocyanates S8/R–NCS and subsequent dehydration to thiazole-2-thiones.
Flower-like MoS2 microspheres highly dispersed on CoFe2O4/MIL-101(Fe) metal organic framework: a recoverable magnetic catalyst for the reduction of toxic nitroaromatics in water
Authors: Moradi-Beiranvand Mehri , Farhadi Saeed , Zabardasti Abedin , Mahmoudi Farzaneh
Published: October 2024

Flower-like MoS2 microspheres were supported on the CoFe2O4/MIL101-(Fe) MOF by a hydrothermal process and applied as a magnetic catalyst for the reduction of nitrophenols in aqueous solutions.
Structural transformation of silver(i)–thiolate coordination polymer film at solid–liquid interfaces
Authors: Fukuoka Myu , Takashima Yohei , Akamatsu Kensuke , Demessence Aude , Tsuruoka Takaaki
Published: October 2024

Ligand exchange-induced structural transformation of silver–thiolate coordination polymers on a substrate.
High-level ab initio characterization of the OH + CH3NH2 reaction
Authors: Gruber Balázs , Czakó Gábor
Published: October 2024

High-level ab initio computations considering post-CCSD(T), core correlation, scalar relativistic, and spin–orbit effects reveal the stationary-point properties and rate coefficients of the OH + CH3NH2 reaction.
Elucidation of Ce/Zr ratio effects on the physical properties and catalytic performance of CuOx/CeyZr1−yO2 catalysts
Authors: Sifat Mohammed , Luchowski Michal , Pophali Amol , Jiang Wenhui , Lu Yunfan , Kim Byeongseok , Kwon Gihan , Yoon Kwangsuk , Kim Jihun , An Kwangjin , Shim Sang Eun , Song Hocheol , Kim Taejin
Published: October 2024

Although cerium oxide (CeO2) is widely used as a catalyst support, its limited defect sites and surface oxygen vacancy/mobility should be improved.
Determination of the high-pressure domain of stability of BeSiO3 and characterization of its crystal structure and properties
Authors: Ouahrani Tarik , Franco Ruth , Lobato Álvaro , Izquierdo-Ruiz Fernando , Muñoz Alfonso , Errandonea Daniel
Published: October 2024

Herein, based on both DFT and bonding analysis, we prove theoretically that due to its unconventional bonding pattern, the ambient structure of the BaSiO3 perovskite is stable only in the orthorhombic phase.
Ruthenium(ii) N-heterocyclic carbene polymer based sensors for detection of predatory drugs like ketamine and scopolamine
Authors: Neole Nupoor Gopal , Yhobu Zhoveta , Małecki Jan Grzegorz , Nagaraju Doddahalli H. , Budagumpi Srinivasa
Published: October 2024

The first electrochemical sensors of N-heterocyclic carbene (NHC) coordinated ruthenium organometallic 1-dimensional polymers and their multi-walled carbon nanotube (MWCNT)-based composite for detecting ketamine and scopolamine, are reported.
A THz smart switch based on a VO2 metamaterial that switches between wide-angle ultra-wideband absorption and transmission
Authors: Zhang Yanyu , Hou Bin , Song Qianju , Yi Zao , Zeng Qingdong
Published: October 2024

An active controllable THz smart switch based on VO2 is designed. The device can realize the flexible switching between perfect absorption and complete transmission over an ultra-wideband and wide-angle.
Phase-dependent polymerization isomerism in the coordination complexes of a flexible bis(β-diketonato) ligand
Authors: Imperato Manuel , Nicolini Alessio , Boniburini Matteo , Gómez-Coca Silvia , Ruiz Eliseo , Santanni Fabio , Sorace Lorenzo , Cornia Andrea
Published: October 2024

A conformationally flexible bis(β-diketonato) ligand yields complexes with a phase-dependent structure. Its 1 : 1 Co2+ adduct, assembled using ancillary pyridine ligands, is dimeric in the crystalline state but monomeric in organic solution.
Asymmetric evaporation for efficient and simultaneous extraction of freshwater, salt, and electrical energy from seawater
Authors: Wu Yitian , Ma Chaoliang , Zhu Kangxin , Jin Lizheng , Song Lvfu , Li Lanze , Lu Yingzhuo , Zheng Yu , Zhang Yaoxin , Zheng Xin , Wu Sai , Pang Yajun , Shen Zhehong , Tan Swee Ching , Chen Hao
Published: October 2024

This study presents an asymmetric evaporation strategy that simultaneously achieves freshwater production, salt collection, and electrical energy generation.
Theoretical predictions of alkali hexazirconate (A2Zr6O13, A = Li, Na, And K) as candidates for alkali ion batteries
Authors: Fernández-Gamboa José. R. , Tielens Frederik , Zulueta Yohandys A.
Published: October 2024

Potential of alkali hexazirconates as electrode materials for alkali ion batteries.
A mass spectrometrical surface chemistry study of aluminum nitride ALD from tris-dimethylamido aluminum and ammonia
Authors: Mpofu Pamburayi , Hafdi Houyem , Lauridsen Jonas , Alm Oscar , Larsson Tommy , Pedersen Henrik
Published: October 2024

We explored the surface chemistry in ALD of AlN from tris-dimethylamido aluminum (Al(NMe2)3) and ammonia using mass spectrometry. We suggest surface mechanisms involving β-hydride elimination and ligand decomposition, as well as ligand exchange.
Human microbiome derived synthetic antimicrobial peptides with activity against Gram-negative, Gram-positive, and antibiotic resistant bacteria
Authors: Mousa Walaa K. , Shaikh Ashif Y. , Ghemrawi Rose , Aldulaimi Mohammed , Al Ali Aya , Sammani Nour , Khair Mostafa , Helal Mohamed I. , Al-Marzooq Farah , Oueis Emilia
Published: October 2024

An AMP-derived short 15-mer peptide and its cyclic derivatives have low micromolar broad spectrum antibacterial activity, with rapid onset of bactericidal effect and a membrane-targeting mode of action.
Tetraarylammonium salts – synthesis, properties and emerging use
Authors: Marriott Alexander , Bucher Götz
Published: October 2024

The chemistry of tetraarylammonium salts has long been a dormant field of research. This, however, is now changing. The review gives an overview of the early development of the research field and points out which directions current research takes.
Magic effect of diphenylprolinol silyl ether for the enantioselective allenation of 2-alkynals
Authors: Wu Guolin , Liu Zhen , Fan Shiwen , Li Wenyao , Zhang Xue , Qian Hui , Ma Shengming
Published: October 2024

Chiral diphenylprolinol silyl ethers have been successfully identified for the enantioselective allenation reaction of terminal alkynes and 2-alkynals, delivering a diverse set of chiral allenynes with high efficiency.
C–H acylation as an enabling tool to tag phenolic drugs
Authors: Girón-Elola Carlota , Correa Arkaitz
Published: October 2024

A Pd-catalyzed directed C–H acylation of a collection of intricate phenol-containing compounds with ethanol and other alcohols and aldehydes is reported.
Berberine-styrene-co-maleic acid nanomicelles: unlocking opportunities for the treatment and prevention of bacterial infections
Authors: Virzì Nicola F. , Greco Valentina , Stracquadanio Stefano , Jasim Anfal , Greish Khaled , Diaz-Rodriguez Patricia , Rotondo Natalie P. , Stefani Stefania , Pittalà Valeria , Giuffrida Alessandro
Published: October 2024

The produced SMA-BER and SMA-NR16 nanomicelles proved to be a valid and safe tool to contrast bacterial infections and biofilm formation.
Thermal control materials of carbon/SiO2 composites with a honeycomb structure
Authors: Zhang Shichao , Sun Xiankai , Wu Linghao , Ai Bing , Sun Haoran , Chen Yufeng
Published: October 2024

The anisotropic carbon/SiO2 composite biomimetic thermal control material exhibits excellent thermal control performance.
Application of deep eutectic solvent-based aqueous two phase systems for extraction of analgesic drugs
Authors: Vessally Esmail , Rzayev Rovnag
Published: October 2024

Phase diagram for the {DES (2 : 1 molar ratio) + K3PO4 + water} system at 298 K: ChlCl/fructose (♦); ChCl/glucose (■).
Enhancing perovskite solar cell performance through PbI2in situ passivation using a one-step process: experimental insights and simulations
Authors: Rabhi Selma , Sekar Karthick , Kalna Karol , Hidouri Tarak , Samajdar Dip Prakash , Ravidas Babban Kumar , Bencherif Hichem , Fornari Roberto , Albaidani Kouloud , Hossain M. Khalid
Published: October 2024

The new architecture of MAPbI3-based solar cells with photovoltaic parameters. The inset shows a new schematic design of the n-i-p structure for the PSC used in SCAPS simulation: AZO/SnO2/MAPbI3 with excess PbI2/spiro-OMeTAD/IZO.
Real-time control of distillation process to improve the recovery efficiency of ThF4–LiCl–KCl molten salt
Authors: Wang Yujiao , Luo Yan , Dou Qiang , Li Wenxin , Li Qingnuan , Fu Haiying
Published: October 2024

The purification and recovery of chloride electrolyte molten salts are vital to reuse this valuable species and reduce the waste.
A high-durability palladium catalyst for the oxygen reduction reaction in an alkaline environment
Authors: Bae Hyo Eun , Park Ji Eun , Huynh T. B. Ngoc , Song Jihyeok , Cho Sung Ki , Sung Yung-Eun , Cho Yong-Hun , Kwon Oh Joong
Published: October 2024

Palladium nanoparticles with a N-doped carbon shell are made through an aniline-palladium redox reaction and heat treatment, enhancing stability and performance in fuel cells by preventing palladium dissolution.
Optimizing thermal and dielectric properties of ethylene-tetrafluoroethylene (ETFE)/h-BN composites via interface engineering: activation of C–F bonds on ETFE for surface grafting
Authors: Wang Miao , He Yijin , Yang Xiaoyu , Hou Xuhui , Li Wenxuan , Tan Shaobo , Zhang Zhicheng
Published: October 2024

Optimizing ETFE-g-PGMA@BN composites via C–F bond activation and interface engineering to address the trade-off between high thermal conductivity and low dielectric properties.
Improving voltage and quantum efficiency in blade-coated ITO-free organic solar cells processed with a non-halogenated solvent
Authors: Zhang Cuifen , Li Zheng , Lin Yi , Wang Zhibo , Hu Huawei , Wang Ming , Tang Zheng , Ma Zaifei
Published: October 2024

ITO-free OSCs (PM6:Y6) blade-coated with o-xylene show enhanced donor–acceptor separation and trap density, leading to limited VOC. Acceptor side chain modification enhances the morphology and reduces traps, boosting photovoltaic performance.
Carrier relaxation and exciton dynamics in chemical-vapor-deposited two-dimensional hybrid halide perovskites
Authors: Babaian Dallar , Hill Daniel , Yu Ping , Guha Suchismita
Published: October 2024

Transient absorption spectroscopy from chemical vapor deposited 2D perovskites shows differences in carrier dynamics depending on the organic cations. The decay reveals a strong contribution from the Auger recombination process at early times.
The isovalent alloying assisted anomalous valley Hall effect in a hexagonal antiferromagnetic monolayer
Authors: Zhang Liguo , Guo San-Dong , Guo Xiao-Shu , Zhu Gangqiang
Published: October 2024

Exploring the combination of antiferromagnetic (AFM) spintronics and the anomalous valley Hall effect (AVHE) is one of the most important aspects for developingvalleytronic applications.
Hybrid DC circuit breaker power supply system with load constant voltage self‐balancing design
Authors: Dongye Zhonghao , Li Jialiang , Zhang Xiangyu , Wang Jiacheng , Shen Hong , Qi Lei
Published: October 2024

Power electronic switches (PES) play a crucial role in transferring and clearing fault currents in hybrid DC circuit breakers. The PES encounters switching transients that require a dependable external power source. Usually, a power supply system utilizes an isolation transformer and many magnetic rings. However, the existence of inconsistent parameters might easily cause an imbalance in load power, which could potentially result in power supply failure for the loads. Therefore, to enhance the reliability of power supply, this study proposes a load constant voltage self‐balancing design approach that utilizes feedback circuits to achieve stability and balance in load voltage. At first, two feedback circuits are shown, and the analytical formulas for load active power and load voltage are derived. Moreover, a parameter design methodology is shown for the equivalent circuit of the magnetic rings in the power supply. Additionally, a power supply system is built with 24 V outputs. In conclusion, this study utilizes simulations and tests to assess the effectiveness of the proposed power supply system by analysing its performance during start‐up, load power‐off, and steady‐state operations.
CLAP
Authors: Lin Qiufan , Ruan Hengxin , Fouchez Dominique , Chen Shupei , Li Rui , Montero-Camacho Paulo , Napolitano Nicola R. , Ting Yuan-Sen , Zhang Wei
Published: October 2024

Obtaining well-calibrated photometric redshift probability densities for galaxies without a spectroscopic measurement remains a challenge. Deep learning discriminative models, typically fed with multi-band galaxy images, can produce outputs that mimic probability densities and achieve state-of-the-art accuracy. However, several previous studies have found that such models may be affected by miscalibration, an issue that would result in discrepancies between the model outputs and the actual distributions of true redshifts. Our work develops a novel method called the Contrastive Learning and Adaptive KNN for Photometric Redshift (CLAP) that resolves this issue. It leverages supervised contrastive learning (SCL) and k-nearest neighbours (KNN) to construct and calibrate raw probability density estimates, and implements a refitting procedure to resume end-to-end discriminative models ready to produce final estimates for large-scale imaging data, bypassing the intensive computation required for KNN. The harmonic mean is adopted to combine an ensemble of estimates from multiple realisations for improving accuracy. Our experiments demonstrate that CLAP takes advantage of both deep learning and KNN, outperforming benchmark methods on the calibration of probability density estimates and retaining high accuracy and computational efficiency. With reference to CLAP, a deeper investigation on miscalibration for conventional deep learning is presented. We point out that miscalibration is particularly sensitive to the method-induced excessive correlations among data instances in addition to the unaccounted-for epistemic uncertainties. Reducing the uncertainties may not guarantee the removal of miscalibration due to the presence of such excessive correlations, yet this is a problem for conventional methods rather than CLAP. These discussions underscore the robustness of CLAP for obtaining photometric redshift probability densities required by astrophysical and cosmological applications. This is the first paper in our series on CLAP.
Multi-step reconstruction of radio-interferometric images
Authors: Wang S. , Prunet S. , Mignot S. , Ferrari A.
Published: October 2024

Context. The large aperture arrays for the currently under construction SKA Observatory (SKAO) will allow for observations of the universe in the radio spectrum at unprecedented resolution and sensitivity. However, these telescopes will produce data on the scale of exabytes, introducing a slew of hardware and software design challenges.

Aims. This paper proposes a multi-step image reconstruction framework that allows for partitioning of visibility data by baseline length. This enables more flexible data distribution and parallelization, aiding in processing radio-astronomical observations within given constraints. Additionally, as each step of the framework only relies on a subset of the total visibilities, one can perform reconstruction progressively, with the initial step performed on the SKAO Science Data Processors and the second on local clusters.

Methods. The multi-step reconstruction is separated into two steps. First a low-resolution image is reconstructed with only short-baseline visibilities, and then using this image together with the long-baseline visibilities, the full-resolution image is reconstructed. The proposed method only operates in the minor cycle, and it can be easily integrated into existing imaging pipelines.

Results. We show that our proposed method allows for partitioning of visibilities by baseline without introducing significant additional drawbacks, reconstructing images of similar quality within similar numbers of major cycles compared to a single-step all-baselines approach that uses the same reconstruction method as well as compared to multi-scale CLEAN.
H I line observations of 290 evolved stars made with the Nançay Radio Telescope
Authors: Gérard E. , van Driel W. , Matthews L. D. , Le Bertre T. , Martin J.-M. , Riêu N. Q.
Published: October 2024

We present a compendium of H I 21-cm line observations of circumstellar envelopes (CSEs) of 290 evolved stars, mostly (~84%) on the asymptotic giant branch (AGB), made with the 100 m-class, single-dish Nançay Radio Telescope. The observational and data reduction procedures were optimised to separate genuine CSE H I emission from surrounding Galactic line features. For most targets (254), the results have not been previously published. Clear detections were made of 34 objects, for 33 of which the total H I flux and the size of the CSE could be determined. Possible detections were made of 21 objects, and upper limits could be determined for 95 undetected targets, while for 140 objects confusion from Galactic H I emission along the line of sight precluded meaningful upper limits. The collective results of this survey can provide guidance on the detectability of circumstellar H I gas for future mapping and imaging studies.
Contemporaneous high-angular-resolution imaging of the AGB star W Hya in vibrationally excited H2O lines and visible polarized light with ALMA and VLT/SPHERE-ZIMPOL
Authors: Ohnaka K. , Wong K. T. , Weigelt G. , Hofmann K.-H.
Published: October 2024

Aims. We present contemporaneous high-angular-resolution millimeter imaging and visible polarimetric imaging of the nearby asymptotic giant branch (AGB) star W Hya to better understand the dynamics and dust formation within a few stellar radii.

Methods. The star W Hya was observed in two vibrationally excited H2O lines at 268 and 251 GHz with Atacama Large Millimeter/submillimeter Array (ALMA) at a spatial resolution of 16 × 20 mas and at 748 and 820 nm at a resolution of 26 × 27 mas with the Very Large Telescope (VLT)/Spectro-Polarimetric High-contrast Exoplanet REsearch (SPHERE)-Zurich Imaging Polarimeter (ZIMPOL).

Results. ALMA’s high spatial resolution allowed us to image strong emission of the vibrationally excited H2O line at 268 GHz (v2 = 2, JKa, Kc = 65, 2–74, 3) over the stellar surface instead of absorption against the continuum, which is expected for thermal excitation. Strong, spotty emission was also detected along and just outside the stellar disk limb at an angular distance of ∼40 mas (∼1.9 R⋆), extending to ∼60 mas (∼2.9 R⋆). Another H2O line (v2 = 2, JKa, Kc = 92, 8–83, 5) at 251 GHz with a similar upper-level energy was tentatively identified, which shows absorption over the stellar surface. This suggests that the emission over the surface seen in the 268 GHz H2O line is suprathermal or even maser emission. The estimated gas temperature and H2O density are consistent with the radiatively pumped masers. The 268 GHz H2O line reveals global infall at up to ∼15 km s−1 within 2–3 R⋆, but outflows at up to ∼8 km s−1 are also present. The polarized intensity maps obtained in the visible reveal clumpy dust clouds forming within ∼40 mas (∼1.9 R⋆) with a particularly prominent cloud in the SW quadrant and a weaker cloud in the east. The 268 GHz H2O emission overlaps very well with the visible polarized intensity maps, which suggests that both the nonthermal and likely maser H2O emission and the dust originate from dense, cool pockets in the inhomogeneous atmosphere within ∼2–3 R⋆.
A Tale of NGC 3785: The formation of an ultra-diffuse galaxy at the end of the longest tidal tail
Authors: Watts Chandan , Barway Sudhanshu , Bait Omkar , Wadadekar Yogesh
Published: October 2024

Aims.We present the discovery of an extended and faint tail observed in the isolated environment associated with galaxy NGC 3785. This study additionally provides observational evidence supporting the formation of ultra-diffuse galaxies (UDGs) at the end of the tail.

Methods.We utilized the Gnuastro software to detect and analyze the low surface brightness structures in the opticalg- andr-bands using data from the Dark Energy Camera Legacy Survey. We created a detection map to identify the faint tail and measured its length using cubic spline fitting. Additionally, we found 84 star-forming clumps along the tail and performed photometric analysis on the tail portion after applying a significance threshold on the signal-to-noise ratio.

Results.We have measured the projected length of the tail, which is ∼390 kpc. We propose that this tail arises from the interaction of the NGC 3785 with a gas-rich galaxy, which ends up as a UDG at the end of the tail.
Well-posedness and potential-based formulation for the propagation of hydro-acoustic waves and tsunamis
Authors: Dubois Juliette , Imperiale Sébastien , Mangeney Anne , Sainte-Marie Jacques
Published: October 2024

We study a linear model for the propagation of acoustic and surface gravity waves in a stratified free-surface ocean. A formulation was previously obtained by linearizing the compressible Euler equations. In this paper, we introduce a new formulation written with a generalized potential. The new formulation is obtained by studying the functional spaces and operators associated to the model. The mathematical study of this new formulation is easier and the discretization is also more efficient than for the previous formulation. We prove that both formulations are well-posed and show that the solution to the first formulation can be obtained from the solution to the second. Finally, the formulations are discretized using a spectral element method, and we simulate tsunamis generation from submarine earthquakes and landslides.
Control of ferroelectricity in Ta-doped HfO2 and its non-zero-crossing current–voltage hysteresis behavior
Authors: Luo Cai-Qin , Pu Hong-Jie , Kang Chao-Yang , Jia Cai-Hong , Zhang Wei-Feng
Published: October 2024

Hafnium oxide (HfO2)-based ferroelectrics are being explored as potential candidates for ferroelectric memory devices due to their highly compatibility with complementary metal-oxide-semiconductor (CMOS) technology. Enhancing the remanent polarization and investigating the underlying mechanism are crucial tasks. In the present study, tantalum (Ta) was introduced as a dopant to induce ferroelectric properties in HfO2, a large portion of orthorhombic phase was recognized in the as-grown Ta:HfO2 without further thermal treatment. The remanent polarization of Ta:HfO2 thin films can be optimized by adjusting the oxygen flow rates during the sputtering process. The influencing factors for enhanced ferroelectric performance include the control of Ta concentration, its valence state, and the presence of singly ionized oxygen vacancies, which are influenced by oxygen addition. Furthermore, the resistive switching behavior showing non-zero crossing current–voltage (I–V) hysteresis is associated with ferroelectricity and the presence of oxygen vacancies. A model has been proposed to explain the ferroelectric resistive switching with non-zero crossing I–V characteristics by considering the role of oxygen vacancies and polarization effects. This model suggests that the oxygen vacancies at the surface layer, along with ferroelectric polarization, play a crucial role in electron transport.
Inverse design of polaritonic devices
Authors: Kuster Oliver , Augenstein Yannick , Rockstuhl Carsten , Sturges Thomas Jebb
Published: October 2024

Polaritons, arising from the strong coupling between excitons and photons within microcavities, hold promise for optoelectronic and all-optical devices. They have found applications in various domains, including low-threshold lasers and quantum information processing. To realize complex functionalities, non-intuitive designs for polaritonic devices are required. In this contribution, we use finite-difference time-domain simulations of the dissipative Gross–Pitaevskii equation, written in a differentiable manner, and combine it with an adjoint formulation. Such a method allows us to use topology optimization to engineer the potential landscape experienced by polariton condensates to tailor its characteristics on demand. The potential directly translates to a blueprint for a functional device, and various fabrication and optical control techniques can experimentally realize it. We inverse-design a selection of polaritonic devices, i.e., a structure that spatially shapes the polaritons into a flat-top distribution, a metalens that focuses a polariton, and a nonlinearly activated isolator. The functionalities are preserved when employing realistic fabrication constraints such as minimum feature size and discretization of the potential. Our results demonstrate the utility of inverse design techniques for polaritonic devices, providing a stepping stone toward future research in optimizing systems with complex light–matter interactions.
Can boundary slip destabilize rotating microchannel flows?
Authors: Sengupta Saunak , Chakraborty Suman
Published: October 2024

Deviation from the traditional no-slip boundary condition due to factors like surface roughness and wettability is of paramount importance in microfluidics and nanofluidics, as it is attributable to its significance in drag reduction, flow control and enhancement and improved mixing. Augmentation in mixing, in turn, is known to strongly correlate with potential instabilities in the flow structure. Reported research studies indicate that slip is an inherent flow stabilizer in microfluidics, to the extent that with sufficient slip, the flow becomes linearly stable against all wavelike disturbances for all wavelengths and Reynolds numbers [“The linear stability of slip channel flows,” Phys. Fluids 34,074103(2022)]. Contrary to such intuitive proposition, here we show that slip effects can destabilize microchannel flows under spanwise rotation, delving on the interplay of rotational forces and slippery hydrodynamics. Our results reveal that increasing the slip length decreases the critical rotation speed, indicating lower rotational effort required to destabilize the flow, whereas the critical Reynolds number for the flow remains effectively unaltered for different slip lengths in a spanwise rotating system. As the slip length increases progressively, the critical rotation number (dimensionless rotational speed) for the onset of instability decreases further, then remains constant up to a certain limit, and subsequently declines with additional enhancement in the slip length. This indicates the potential for deploying customized hydrophobic (slippery) substrates to facilitate transitions from stable to unstable modes by simple tuning of the rotational speed—a paradigm that offers great promise in various applications ranging from materials synthesis to biomedical technology.
Coupling light into a guided Bloch surface wave using an inversely designed nanophotonic cavity
Authors: Tang Zongyuan , Guo Tian-Long , Augenstein Yannick , Troia Adriano , Liu Yanjun , Roussey Matthieu , Rockstuhl Carsten , Descrovi Emiliano
Published: October 2024

Controlling the propagation of light in the form of surface modes on miniaturized platforms is crucial for multiple applications. For dielectric multilayers that sustain Bloch surface waves at their interface to an isotropic dielectric medium, a conventional approach to manipulate them exploits shallow surface topographies fabricated on top of the truncated stack. However, such structures typically exhibit low index contrasts, making it challenging to confine, steer, and guide the Bloch surface waves. Here, we theoretically and experimentally demonstrate a device for a Bloch surface wave platform that resonantly couples light from a cavity to a straight waveguide. The structure is designed using topology optimization in a 2D geometry under the effective index approximation. In particular, the cavity–waveguide coupling efficiency of the radiation emitted by an individual source in the cavity center is optimized. The cavity is experimentally found to exhibit a narrow resonant peak that can be tuned by scaling the structure. The waveguide is shown to guide only light that resonates in the cavity. Fully three-dimensional simulations of the entire device validate the experimental observations.