bluuebunny/crossref_metadata_2025 huggingface dataset:
Pre-resonance effects in deep UV Raman spectra of normal and deuterated water
Authors: Rossi B. , Tommasini M. , Ossi P. M. , Paolantoni M.
Published: July 2024

We have investigated the shape of the OH/OD stretching Raman band of water as a function of the excitation wavelength in the deep UV region (200–266 nm).
CO2 ultrathin film growth on a monolayer of CO2 adsorbed on the NaCl(100) surface: sticking coefficient and IR-optical signatures in the ν3 region
Authors: Vogt Jochen
Published: July 2024

CO2 ultrathin molecular films were grown onto a preadsorbed monolayer NaCl(100)/p(2 × 1)-CO2 at 40 K.
Anion–π interaction with alkenes: persistent complexes vs. irreversible reactions of anions with tetracyanoethylene
Authors: Odubo Favour E. , Muthuramesh Snehashree , Zeller Matthias , Rosokha Sergiy V.
Published: July 2024

Anion–π complexes with the electron-deficient alkene, tetracyanoethylene, are similar to that with aromatic and p-benzoquinone π-acceptors, but their persistence is delimited by the 1e-donating strength and nucleophilicity of anions.
Slow magnetic relaxation in a heteroleptic anilate-based DyIII metal–organic framework
Authors: Oggianu Mariangela , Bertolotti Federica , Manna Fabio , Congiu Francesco , Cappai Antonio , Melis Claudio , Concas Giorgio , Avarvari Narcis , Masciocchi Norberto , Mercuri Maria Laura
Published: July 2024

A new family of heterolepticanilate-based lanthanide MOFs (LnIII = Tb, Dy, Ho) has been obtained via the ancillary ligand synthetic strategy. Although the three species are structurally isomorphous, only Dy-MOF exhibits SMM behaviour.
Understanding charge carrier dynamics in organic photocatalysts for hydrogen evolution
Authors: Choi Jinhyuk , Jung Wooteak , Gonzalez-Carrero Soranyel , Durrant James R. , Cha Hyojung , Park Taiho
Published: July 2024

This review surveyed the charge behavior in organic photocatalysis, and elucidated a correlation between molecular structure, charge dynamics and photocatalytic performance.
Three new potential sulfur reference materials (pyrite, gypsum, and arsenopyrite) for in situ sulfur isotope analysis by laser ablation MC-ICP-MS
Authors: Peng Deyi , Bao Zhian , Chen Kaiyun , Lv Nan , Nie Xiaojuan , Tian Jing , Yuan Honglin
Published: July 2024

Three synthesized solid blocks (pyrite NWU-Py, gypsum NWU-Gy and arsenopyrite NWU-Apy) using the fast-hot-pressing sintering method (FHP) have been identified as potential reference materials for in situ sulfur isotope analysis by LA-MC-ICP-MS.
A programmable and automated optical electrowetting-on-dielectric (oEWOD) driven platform for massively parallel and sequential processing of single cell assay operations
Authors: Welch Lawrence G. , Estranero Jasper , Tourlomousis Panagiotis , Wootton Robert C. R. , Radu Valentin , González-Fernández Carlos , Puchtler Tim J. , Murzeau Claire M. , Dieckmann Nele M. G. , Shibahara Aya , Longbottom Brooke W. , Bryant Clare E. , Talbot Emma L.
Published: July 2024

We describe a platform that uses droplet microfluidics and optical electrowetting-on-dielectric (oEWOD) to perform sequential and multiplexed single cell assays in massively parallelised workflows to enable complex cell profiling during screening.
Studying the impact of geometrical and cellular cues on myogenesis with a skeletal muscle-on-chip
Authors: Nguyen M.-L. , Demri N. , Lapin B. , Di Federico F. , Gropplero G. , Cayrac F. , Hennig K. , Gomes Edgar R. , Wilhelm C. , Roman W. , Descroix S.
Published: July 2024

In the skeletal muscle tissue, cells are organized following an anisotropic architecture, which is both required during myogenesis when muscle precursor cells fuse to generate myotubes and for its contractile function.
The outstanding photocatalytic degradation and hydrogen evolution of flower spherical-like MnCdS/In2S3/NiAl-LDH composites due to their heterostructure
Authors: Gao Xu , Sun Xiaoyue , Hu Tianyu , Sun Yingru , Chen Sitian , Li Siyu , Ding Siqi , Yu Yan , Li Li
Published: July 2024

The charge transfer mechanism of flower spherical-like MnCdS/In2S3/NiAl-LDHs was analyzed by density functional theory. The presence of a dual S-scheme heterostructure enhanced the photocatalytic hydrogen production and photodegradation activity.
Evaluation of quality consistency of Astragali radix by multi-dimensional profiles combined with chemometric analysis
Authors: Liu Mingjia , Yang Ting , Sun Guoxiang , Sun Wanyang
Published: July 2024

Astragali radix (AR) is not only a traditional Chinese medicine, but also a good tonic that is often consumed by people and has good disease prevention and health care effects.
Bi(iii)-catalyzed synthesis of furocoumarins via a three component reaction of arylglyoxal monohydrates, coumarins and N-substituted anilines
Authors: Sharma Suraj , Saikia Pinky , Bhuyan Mayurakhi , Baishya Gakul
Published: July 2024

We unveil an operationally robust route to a new library of furocoumarin derivatives via a three-component reaction involving arylglyoxal monohydrates, 4-hydroxycoumarins and N-substituted anilines.
Rh(iii)-catalyzed regioselective C(sp2)–H alkenylation of isoquinolones with methoxyallene: A facile access to aldehyde-bearing isoquinolones
Authors: Thakur Ankita , Chandra Devesh , Sharma Upendra
Published: July 2024

Simple and rapid access to isoquinolone aldehyde scaffolds has been established by a rhodium-catalyzed reaction between isoquinolone and methoxyallene that forges alkenylation in an explicit regioselective manner.
Dinuclear zinc catalysis of a kinetic resolution strategy for distinguishing one pair of diastereoisomers from multiple stereoisomers
Authors: Zhai Ying-Hui , Wen Jia-Qi , Liu Meng-Meng , Mei Guang-Jian , Jia Shi-Kun , Wang Min-Can , Hua Yuan-Zhao
Published: July 2024

A new kinetic resolution strategy of distinguishing four stereoisomers is realized by dinuclear zinc catalysts.
Many-body dissipative particle dynamics simulations of micellization of sodium alkyl sulfates
Authors: Hendrikse Rachel L. , Amador Carlos , Wilson Mark R.
Published: July 2024

Many-body particle dynamics simulations allow us to study micelle formation, meaning that quantitative predictions can be made for the mean aggregation number and critical micelle concentration of various surfactants.
Hydrogen absorption boosting in mildly annealed bulk MoS2
Authors: Obando-Guevara Jairo , González-García Álvaro , Rosmus Marcin , Olszowska Natalia , González César , Morón-Navarrete Guillermo , Fujii Jun , Tejeda Antonio , González-Barrio Miguel Ángel , Mascaraque Arantzazu
Published: July 2024

We present study based on ARPES and DFT on the modifications in the electronic structure of MoS2 resulting from the introduction of sulphur defects by soft annealing and their role in hydrogen adsorption.
Enhancing sulfur oxidation reaction by overcoming redox barriers with FeSe2@C for lithium–sulfur batteries
Authors: Zou Pengkun , Lin Yushuang , Li Long , Wang Jiaxin , Chao Yu , Li Borong , Ma Hongyun , Liu Zheyuan , Yu Yan , Yang Chengkai
Published: July 2024

The decomposition pathway of Li2S and the catalytic mechanism of FeSe2@C.
High energy density of Sm-doped Na0.5Bi0.5TiO3–Sr0.7Bi0.2TiO3 relaxor ferroelectric ceramics
Authors: Li Zhiqing , Xie Bing , Marwat Mohsin Ali , Xue Fei , Liu Zhiyong , Guo Kun , Mao Pu , Luo Huajie , Zhang Haibo
Published: July 2024

Schematic diagram of the relaxor strategy of (1 − x)(0.6Na0.5Bi0.5TiO3–0.4Sr0.7Bi0.2TiO3)–xSm2O3 relaxor ferroelectric ceramics for high energy storage capacity.
Tamoxifen metabolites treatment promotes ERα+ transition to triple negative phenotype in vitro, effects of LDL in chemoresistance
Authors: Muñoz-Ayala Andrea , Chimal-Vega Brenda , Serafín-Higuera Nicolás , Galindo-Hernández Octavio , Ramírez-Rosales Gladys , Córdova-Guerrero Iván , Gómez-Lucas Luis Fernando , García-González Victor
Published: July 2024

Objective: Estrogen receptor-positive (ER+) breast cancer represents about 80% of cases, tamoxifen is the election neoadjuvant chemotherapy. However, a large percentage of patients develop chemoresistance, compromising recovery. Clinical evidence suggests that high plasmatic levels of low-density lipoproteins (LDL) could promote cancer progression. The present study analyzed the effect of LDL on the primary plasmatic active Tamoxifen’s metabolites resistance acquisition, 4-hydroxytamoxifen (4OH-Tam) and 4-hydroxy-N-desmethyl-tamoxifen (endoxifen), in breast cancer ERα + cells (MCF-7). Methods: Two resistant cellular variants, MCF-7Var-H and MCF-7Var-I, were generated by a novel strategy and their phenotype features were evaluated. Phenotypic assessment was performed by MTT assays, cytometry, immunofluorescence microscopy, zymography and protein expression analysis. Results: MCF-7Var-H, generated only with tamoxifen metabolites, showed a critical down-regulation in hormone receptors, augmented migration capacity, metalloprotease 9 extracellular medium excretion, and a mesenchymal morphology in contrast with native MCF-7, suggesting the transition towards Triple-negative breast cancer (TNBC) phenotype. In contrast, MCF-7Var-I which was generated in a high LDL media, showed only a slight upregulation in ER and other less noticeable metabolic adaptations. Results suggest a potential role of transcription factor nuclear factor erythroid 2-related factor 2 (Nrf2) in phenotypic differences observed among variants. Conclusion: LDL high or low concentrations during Tamoxifen´s metabolites chemoresistance acquisition leads to different cellular mechanisms related to chemoresistance. A novel adaptative cellular response associated with Nrf2 activity could be implicated.
Innovate and empower: the malate dehydrogenase course-based undergraduate research experiences and community of practice
Authors: DeChenne-Peters Sue Ellen , Scheuermann Nicole L. , Parente Amy D. , Zhang Jing
Published: July 2024

College science programs exhibit high rates of student attrition, especially among Students of Color, women, members of the LGBTQ+ community, and those with disabilities. Many of the reasons students choose to leave or feel pushed out of science can be mitigated through participation in faculty-mentored research. However, faculty resources are limited, and not every student has access to faculty mentoring due to systemic or structural barriers. By bringing authentic scientific research into the classroom context, course-based undergraduate research experiences (CUREs) expand the number of students who participate in research and provide benefits similar to faculty-mentored research. Instructors also benefit from teaching CUREs. Using a systematic review of 14 manuscripts concerning the Malate Dehydrogenase CUREs Community (MCC) and malate dehydrogenase (MDH) CUREs, we demonstrate that CUREs can be implemented flexibly, are authentic research experiences, generate new scientific discoveries, and improve student outcomes. Additionally, CURE communities offer substantial advantages to faculty wishing to implement CUREs.
Treatment-prophylaxis measures and their clinical-immunological criteria in children when the lyambliosis parasite is combined with ascaridosis
Authors: Mirzoeva Mekhriniso , Rakhimov Shermat
Published: July 2024

Since analyzes of immunological parameters after immunocorrection in children affected by giardiasis and ascariasis revealed significant changes in the immune status of children affected by giardiasis and ascariasis, it is of great interest to study the state of cellular and humoral immunity in these children after immunotropic treatment in comparison with those who received conventional therapy.
Single-Sided Deafness – Mit dem „Zweiten“ hört man besser
Authors: Jakob Till F , Aschendorff Antje , Arndt Susan
Published: July 2024

Die Single-Sided Deafness (SSD) ist eine einseitige Taubheit mit erhaltener Funktion des nicht betroffenen Ohres. Sie kann angeboren (z.B. durch eine Aplasie des Hörnervs) oder postlingual erworben sein. Die Patienten leiden unter einer eingeschränkten Schalllokalisation und Problemen im Störgeräusch. Es gibt verschiedene Therapieoptionen – nur mit einem Kochleaimplantat (Cochlear Implant, CI) kann jedoch ein binaurales Hören erreicht werden.
The impact of V-flow on preoperative diagnosis of thyroid tumors: individually and as part of multimodal sonographic imaging
Authors: Brandenstein Moritz Konstantin , Zhang Liang , Scharf Gregor , Thurn Sylvia , Hornung Matthias , Menhart Karin , Meiler Stefanie , Stroszczynski Christian , Jung Ernst Michael
Published: July 2024

V-flow is a dynamic ultrasound technique that visualizes perfusion patterns by displaying dynamic arrows that change in response to the flow of erythrocytes. Furthermore, it provides quantitative values for the maximum and mean velocity of blood flow as well as a percentage value for turbulence. The aim was to enhance the preoperative diagnostic accuracy of thyroid lesions by combining V-flow with established ultrasound modes.

B-mode, CCDS, elastography, CEUS, and V-flow were performed on 101 patients. After the ultrasound examination, every nodule was confirmed as benign or malignant via histopathology. The Kruskal–Wallis test, ROC curve, and binary logistic regression were used for the statistical analysis.

93 benign regressive thyroid nodules and 8 carcinomas were included in this study. The average mean velocity value for benign lesions was measured at 19.5 cm/s and at 10.7 cm/s for malignant lesions (p = 0.039). The average turbulence percentage was 26.1% for benign nodules and 46.7% for carcinomas (p = 0.016). Carcinomas exhibited a slower and more turbulent perfusion pattern compared to benign tumors. A V-flow-centered system achieves a sensitivity of 100.0% and a specificity of 84.9% in predicting malignancy. This system could have reduced the number of unnecessary thyroid surgeries for benign lesions in our patient group by 70%.

The capillary perfusion of thyroid nodules represents a significant indicator of its status. By analyzing the velocity and turbulence level of microvascular blood flow, V-flow offers promising prospects for accurately distinguishing between benign and malignant thyroid lesions. When integrated into a comprehensive multimodal sonographic imaging approach, V-flow further enhances diagnostic accuracy.
Early-Onset Sepsis as an Early Predictor for Retinopathy of Prematurity: A Meta-analysis
Authors: El Emrani Salma , van der Meeren Lotte E. , Jansen Esther J.S. , Goeman Jelle J. , Termote Jacqueline U.M. , Lopriore Enrico , Schalij-Delfos Nicoline E.
Published: July 2024

Objective Neonatal sepsis has been established as a risk factor for retinopathy of prematurity (ROP) but previous meta-analyses have predominately focused on late-onset sepsis (LOS). This meta-analysis aims to explore the association between early-onset sepsis (EOS) and the risk of ROP.

Study Design Observational studies reporting (unadjusted) data on proven EOS in neonates with ROP were included. PubMed, Embase, and Cochrane Library were searched. Proven EOS was defined as a positive blood or cerebrospinal fluid culture. Effect sizes were calculated by using logistic random-effects models and meta-regression analyses. Primary outcomes were any stage ROP and severe ROP (≥stage 3, type I, aggressive [posterior] ROP, plus disease or requiring treatment). Potential confounders explored were gestational age at birth, birth weight, small for gestational age, maternal steroid use, necrotizing enterocolitis, LOS, and mechanical ventilation duration.

Results Seventeen studies reporting the incidence of proven EOS in neonates with ROP were included. Proven EOS showed no significant association with any stage ROP (odds ratio [OR] = 1.90; 95% confidence interval [CI]: 0.96–3.79, p = 0.067) but heterogeneity between studies was significantly high. Neonates with proven EOS had an increased risk for severe ROP (OR = 2.21; 95% CI: 1.68–2.90), and no significant confounders influencing this effect size were found in the meta-regression analysis.

Conclusion Neonates with proven EOS are at increased risk of severe ROP. Neonatologists need to be aware that EOS is an early predictor of ROP and should adapt their policy and treatment decisions where possible to reduce ROP.

Key Points
Avaliação tridimensional da marcha: Cinética, cinemática e eletromiográfica em pacientes com mucopolissacaridose tipos IV e VI
Authors: Rego Francisco Robson Queiroz , Oliveira Herison Franklin Viana de , Rolim Filho Epitácio Leite
Published: July 2024

Objetivo Avaliar e determinar, através de análise tridimensional (3D) instrumentada da marcha, o perfil cinético, cinemático e eletromiográfico de pacientes com mucopolissacaridose (MPS) IV e VI.

Métodos Foi realizado um estudo transversal com 11 pacientes atendidos em um serviço de referência em doenças raras, avaliados em laboratório de análise do movimento. Foram coletados dados clínicos, do exame físico e dados cinéticos, cinemáticos e eletromiográficos através de sistema 3D de movimento, entre junho de 2020 e janeiro de 2021.

Resultados Havia 5 pacientes (45,5%) do gênero feminino e 6 (54,5%) do masculino. Adicionalmente, 9 (81,8%) tinham MPS VI e 2 (18,2%) IV. A idade média foi de 14,6 anos. A velocidade média (m/s) foi de 0,68 (±0,21) e o comprimento da passada de 0,66 (±0,15). Os ângulos estáticos mais alterados foram a abdução-adução dos quadris, o arco de movimento dos joelhos e o ângulo de progressão do pé. Um padrão de marcha em flexão e adução dos quadris e flexão dos joelhos foi identificado na maioria dos casos. O Gait Profile Score (GPS) foi de 14,58 (±6,72) à direita e 11,71(±3,39) à esquerda. O Gait Deviation Index (GDI) foi de 73,23 (±14,50) à direita e de 80,45 (±17,05) à esquerda. A atividade muscular seguiu aproximadamente o modelo corrente.

Conclusão Os pacientes apresentaram uma velocidade média e comprimento da passada diminuídos. Um padrão de marcha em flexão e adução dos quadris e flexão dos joelhos foi identificado na maioria dos casos. Tanto GPS quanto GDI mostraram desvio importante da normalidade.
Imaging Spectrum in Pulmonary Tuberculosis
Authors: Bhatia Harsimran , Kaur Ravinder , Kaur Irwinjit , Garg Karan
Published: July 2024

Pulmonary tuberculosis is one of the most common pulmonary infections prevalent in our country. Although definitive diagnosis is microbiological, characteristic imaging features help in establishing a certain diagnosis in most of the cases. While chest radiography remains the primary screening tool, computed tomography helps in clinching the diagnosis with a spectrum of findings described on cross-sectional imaging. The radiologist must be familiar with the features denoting potential complications and differential diagnosis to aid better treatment planning and case prognostication. This article describes in detail the imaging features of pulmonary tuberculosis, active disease, disease sequelae, and complications.
Territorial disputes and international law: reclaiming the sui generis nature of arbitration
Authors: Siniver Asaf
Published: July 2024

This study aims to bridge the disciplinary gap between IR and international law in the study of conflict resolution by highlighting the sui generis nature of arbitration as a hybrid political-legal method of dispute settlement that has been lost over the years due to its overly judicialized application. It reclaims the unique nature of arbitration by demonstrating its capacity to enable state flexibility and autonomy which can be found in mediation, whilst providing a final and legally binding solution, which is commonly associated with adjudication. Utilizing the case study of the Beagle Channel arbitration between Chile and Argentina (1971–77), this study demonstrates that a key reason behind the general misuse and disuse of arbitration is the failure of states to capture its sui generis nature and instead adopt an overly judicialized approach.
Melting curves of MgSiO3 and CaSiO3 perovskites with cubic structure at extreme conditions
Authors: Quang Hoc Nguyen , Duc Trung Nguyen , Ngoc Thang Ngo , Viet Hoang Nguyen , Thu Lam Le
Published: July 2024

In this work, we derive the analytical expression of Helmholtz free energy, mean nearest neighbor distance between two atoms, lattice constant, and molar volume using statistical moment method (SMM). Then, we present how to determine the melting temperature of cubic perovskite at high pressures by combining SMM and work-heat equivalence principle. The results of the melting theory of cubic perovskite are applied to two perovskites MgSiO3 and CaSiO3 under extreme conditions of the Earth’s lower mantle. Our obtained melting curves of MgSiO3 up to 1400 GPa and CaSiO3 up to 136 GPa were compared with available experiment and other calculations and were in good agreement. The present study provides an effective theoretical tool for finding the melting curves of strongly anharmonic materials under extreme conditions. Our theoretical calculations would be helpful to clarify geological formation process at the Earth’s lower mantle.
Modeling generation of harmonics in the water window region in hollow core waveguides by mid-infrared femtosecond pulses
Authors: Gherman A. M. M. , Tóth I. , Ciriolo A. G. , Martínez Vázquez R. , Nistico A. , Stagira S. , Toşa V.
Published: July 2024

We numerically investigate generation of harmonics in the water window region (down to 2.8 nm) by 2 μm femtosecond pulses propagating in hollow core waveguides filled with high pressure He. Numerical calculations are based on a three dimensional macroscopic model, which solves the pulse propagation by a split-step method, uses the strong field approximation to evaluate the single atom response, and integrates it coherently to obtain the harmonic field. Two configurations for the waveguides are considered: the standard one with a constant diameter of 70 μm and a conical one with a decreasing diameter from 70 to 50 μm. We demonstrate that harmonic field enhancement can be obtained in spectral domains of great practical interest, from 2.8 to 20 nm, and identify quasi-phase matching induced by multimode beating as the mechanism responsible for this enhancement.
Atomic-level quantum well degradation of GaN-based laser diodes investigated by atom probe tomography
Authors: Wen Pengyan , Xiu Huixin , Zhang Shuming , Liu Jianping , Chen Yimeng , Yang Hui
Published: July 2024

Gallium nitride (GaN)- based lasers are extensively employed in display, lighting, and communication applications due to their visible laser emission. Despite notable advancements in their performance and reliability, sustained device functionality over extended periods remains a challenge. Among the diverse mechanisms contributing to degradation, the deterioration of quantum wells poses a persistent obstacle. In this study, we investigated the atomic-level degradation of quantum wells within GaN-based laser diodes utilizing atom probe microscopy. Our analysis revealed a substantial increase in indium fluctuation, accompanied by the formation of indium protrusions at the quantum well interfaces, which provides a credible explanation for the observed increase in FWHM (full width at half maximum) of the spontaneous spectra of lasers following prolonged operation. Additionally, magnesium analysis yielded no evidence of diffusion into the quantum well region. Combined with prior studies, we attribute the degradation of quantum wells primarily to the formation of indium-related non-radiative recombination centers.
Exact solutions for thermally induced electromechanical fields of PN junctions in centrosymmetric semiconductors
Authors: Wei Chao , Guo Ziwen , Tang Jian , Huang Wenbin
Published: July 2024

PN junctions play important roles in semiconductor devices. Flexoelectricity, an electromechanical coupling between strain gradient and electric polarization, has non-negligible contributions in nano-devices. The thermoflexoelectric effect is a phenomenon in which temperature gradients generate inhomogeneous strains and further induce flexoelectric polarizations. Therefore, temperature gradients can affect carrier transport in PN junctions through the thermoflexoelectric effect. In this paper, a one-dimensional model of the PN junction under a uniform temperature change is established. Exact solutions for the electromechanical fields in the PN junction are obtained for the first time. The effects of the temperature gradient, doping level, and flexoelectric coefficient on the electromechanical behaviors of the PN junction are numerically analyzed. The results indicate that carrier concentrations in the p and n regions are sensitive to temperature gradients because of the screening effect of the mobile charge on the flexoelectric polarization induced by the temperature gradient. Meanwhile, the flexoelectric field and the initial built-in electric field in the depletion region jointly determine the magnitude of the potential barrier, and thus, the temperature-gradient-induced flexoelectric field can tune the switching characteristics of the PN junction. This study provides a theoretical basis for the tuning of the electromechanical behavior of the PN junction by thermally induced flexoelectric fields.
Strain mapping in amorphous germanium thin films with scanning reflectance anisotropy microscopy
Authors: Haake Fabian , Sendra Joan , Calvo Micha , Galinski Henning , Spolenak Ralph
Published: July 2024

Strain imaging is a critical aspect in the design and characterization of opto-electronics, microelectronics, flexible electronics, and on-chip photonics. However, strain mapping techniques are often material specific and strain measurements in amorphous materials remain a challenge. Here, we demonstrate strain mapping and optical characterization of an amorphous semiconductor using scanning reflectance anisotropy microscopy. Using reflection anisotropy spectroscopy and finite element simulations on evaporated amorphous germanium films, we showcase the strain sensitivity of the ellipsometric parameters. We demonstrate nondestructive mapping for simple and complex strain states in amorphous systems. The sub-degree phase and amplitude sensitivity of the microscope is able to determine strain states on the order of 10−3.
ClSO and ClSO2 photochemistry: Implications for the Venusian atmosphere
Authors: Trabelsi Tarek , Lipson Juliette , Francisco Joseph S.
Published: July 2024

The electronic structure and spectroscopy of ClSOx (x = 1 and 2) isomers were investigated using coupled cluster theory and multireference interaction methods. In this study, the equilibrium geometry and harmonic vibrational frequencies of these isomers in their ground electronic state were shown. Our analysis of the vertical excitation energy and potential energy surface showed the photochemical instability of ClSO for wavelengths below 280 nm. Furthermore, the photodissociation of ClSO was unlikely to cause the formation of diatomic ClS. At the same time, ClSO could form atomic chlorine and SO as a result of photodissociation through the repulsive states. In the case of ClSO2, a novel weakly bound Cl–SO2 isomer was identified, indicating the potential influences on the chlorine and SO2 reactions. The potential energy surface of the most stable ClSO2 isomer also indicated the potential production of SO2 in both its ground and excited states. In addition, the electronic spectrum of ClSO2 was predicted to be broad, with numerous significant peaks in the near-UV‒Vis range. Valuable new insights into the chemical role of chlorine and sulfur in Venus's atmosphere were provided, along with a discussion of a potential mechanism contributing to the H2O and SO2 depletion in Venus's atmosphere.
Leptin in reproduction and hypertension in pregnancy
Authors: Singh Harbindarjeet , Almabhouh Fayez A. , Alshaikhli Hisham S. Ibrahim , Hassan Maryam Jameelah Md , Daud Suzanna , Othman Rosfayati , Md Salleh Muhd Fakh Rur Razi
Published: July 2024

Leptin has important roles in numerous physiological functions, including those in the regulation of energy balance, and in immune and reproductive systems. However, in the recent years, evidence has implicated it in a number of obesity-related diseases, where its concentrations in serum are significantly elevated. Elevated serum leptin concentrations and increased placental leptin secretion have been reported in women with hypertensive disorders of pregnancy. Whether leptin is responsible for this disorder remains to be established. Leptin injections in healthy rats and mice during pregnancy result in endothelial activation, increased blood pressure and proteinuria. A potential role for leptin in the pathogenesis of pre-eclampsia is hypothesised, particularly in women who are overweight or obese where serum leptin concentrations are often elevated. This review summarises pertinent information in the literature on the role of leptin in puberty, pregnancy, and hypertensive disorders of pregnancy. In particular, the possible mechanism that may be involved in leptin-induced increase in blood pressure and proteinuria during pregnancy and the potential role of marinobufagenin in this disease entity. We hypothesise a significant role for oxidative stress in this, and propose a conceptual framework on the events that lead to endothelial activation, raised blood pressure and proteinuria following leptin administration.
China’s real estate agents’ persuasion realizations on WeChat Moments
Authors: He Jianyou , Xia Dengshan
Published: July 2024

Persuasion is a well-documented language phenomenon in the fields of rhetoric, communication, and sociopsychology.
However, there is still a need for further research into persuasion on social media from a pragmatic perspective. The current
research contributes to the existing literature on persuasion, particularly in virtual environments, by examining the tactics of
online persuasion with a dataset of 409 excerpts from WeChat Moments. It examines the frequency and percentage of persuasive
strategies deployed by fourteen Chinese real estate agents. Additionally, a qualitative analysis of each tactic is conducted,
supported by specific examples. The findings indicate that, in increasing order of frequency, persuasion attempts on the
participants’ WeChat Moments are primarily realized through rational, ethos, and emotional appeals. The determinants of this
strategic inclination are examined with respect to the anonymity afforded by the Internet, media effect, community of practice and
Chinese cultural particulars.
MAA-YOLOv8: enhanced steel surface defect detection through multi-head attention mechanism and lightweight feature fusion
Authors: Han Feng , Han Hua , Zhang Rui , Zou Yong , Xue Long , Wang Caimei
Published: July 2024

In the process of industrial production, product defects often arise due to improper operations among other reasons, rendering the detection of such flaws an indispensable procedure. However, the vast array of defect types, coupled with their complex characteristics, poses ongoing challenges for contemporary defect detection algorithms within industrial settings. To solve this problem, the present study introduces an enhanced steel surface defect detection model based on the modified YOLOv8 algorithm-termed the MAA-YOLOv8 model-to augment the accuracy and practicality of the algorithm. Initially, a multi-head attention mechanism was incorporated into the C2f to bolster the feature extraction capabilities within the backbone network and diversify the attention maps. Secondly, in the neck structure, we design a multi-channel feature fusion module (McPAN) to solve the problem of balance between computational efficiency and the ability to capture useful features. A series of experiments conducted on the NEU-DET dataset reveal that the MAA-YOLOv8 model achieves a mean Average Precision (mAP) of 94.4%, representing an enhancement of 11.1% over the original YOLOv8s model. The MAA-YOLOv8 model proposed in this study substantially elevates the performance of steel surface defect detection while ensuring the speed of detection.
Phase space reconstruction technique for beam optimization in the Low Energy High Intensity Proton Accelerator (LEHIPA)
Authors: Priyadarshini Pallavi , Mathew Jose V , Mathad Deepak N , Kumar Rajesh
Published: July 2024

The Low Energy High Intensity Proton Accelerator (LEHIPA) has been commissioned to the design energy of 20 MeV at BARC, India. The low energy beam transport (LEBT) channel of LEHIPA consists of two solenoids and drift spaces for matching the 50 keV proton beam from the ECR ion source (ECR-IS) to the RFQ. The ion beam extracted from the ECR-IS also contains molecular species like H2
+ and H3
+. Proton fraction in the beam is found to degrade slowly with time due to surface contamination of the plasma chamber and this reduction in proton beam current has implications for longitudinal and transverse beam dynamics. Hence, it becomes important to characterise the beam at different proton fraction levels to understand the end-to-end beam dynamics of LEHIPA. Computed Tomography (CT) technique has been used for the beam phase-space reconstruction in LEHIPA, using a Python program, incorporating the feature of filtering secondary species from the beam profiles measured using slit scanners in the LEBT. Simultaneous Algebraic Reconstruction Technique (SART) is used in the reconstruction since it is identified to be a better technique for a limited number of projections. The reconstruction program is benchmarked with the TraceWin beam dynamics code and implemented on the measured beam profiles to recreate the phase space distribution at the beginning of LEBT. Further, the tomographic reconstruction method is compared with the solenoid scan method and the rms emittance values are found to be in good agreement. The measured tomographic phase space distribution has then been used as TraceWin input for LEHIPA end-end beam dynamics simulations and the LEHIPA beam line parameters are re-optimized for minimum beam emittance growth. This paper presents the simulations of CT technique, benchmarking simulations with TraceWin, phase space reconstruction with measured beam profiles and beam dynamics studies of LEHIPA using the reconstructed beam distributions.
Transition metal centers with anharmonic elastic interactions in one-dimensional spin-crossover solids
Authors: Metatla Abboud , Nicolazzi William , Latelli H’mida , Bousseksou Azzedine
Published: July 2024

An exact examination of a one-dimensional (1D) anharmonic elastic model describing the thermodynamic properties of spin-crossover (SCO) solids is presented. This elastic model incorporates both intra-chain and mean field inter-chain interactions, providing a more understanding of 1D SCO materials. Numerical findings for a linear chain of spins unveil intriguing features, such as a two-step-like transition. Extending the model to interacting chains leads to an additional term in the effective ligand field of the system’s Hamiltonian, thereby enhancing its predictive power by accounting for more elastic constants of interactions. This augmentation reinforces the model’s validity in capturing the spin-crossover phenomenon. Numerical results in this extended framework elucidate clearer two-step-like spin crossover transitions, with the HS_LS fraction of spins approaching maximum values at equilibrium temperature

T

e
q

.
Effect of graphite concentration on the electrochemical performance of a novel α-MnO2-expanded graphite-PVDF composite cathode material based on FTO substrate
Authors: Philip Abin , Ruban Kumar A
Published: July 2024

A facile chemical reduction method is employed for the synthesis of α-MnO2 followed by ultrasonication with synthetic graphite and poly (vinylidene pyrrolidone) PVDF for the development of α-MnO2-expanded graphite-PVDF (MGP) composite. Known masses of MGP composite are drop-casted on a fluorine-doped tin oxide (FTO) conducting glass substrate for the fabrication of composite electrodes to use as the cathode. The compositional effects of various weight percentages of graphite on the electrochemical performance of the MGP composite are studied. The increase in graphite’s weight percentage is always accompanied by an equal reduction in the weight of MnO2 by maintaining a constant amount of PVDF. We demonstrate a maximum electrochemical performance for the composite containing 80% MnO2, 10% expanded graphite, and 10% PVDF, further increases in graphite concentration (reduction in that of MnO2) have detrimental effects on the performance. The basis characterisation of the composite is carried out using XRD, FTIR, UV–vis, AFM, and SEM and the electrochemical studies are done using CV, GCD and EIS. We observe both faradaic and non-faradaic charge storage mechanisms in the composite samples with a 35% capacitive contribution and a 65% diffusive contribution to the total capacitance. Moreover, the composite electrode demonstrates a maximum specific capacitance of 358 F g−1 at 10 mV s−1 with an outstanding power density of 2.8 KW Kg−1.
Nanofibrous La0.95K0.05MnO3 perovskite with improved photoelectrical properties for photocatalytic degradation of antibiotics
Authors: Yang Tianzong , Mei Yating , Chen Lulu , Xu Xuelian , Wei Jiaqi , Zhu Junjiang
Published: July 2024

Potassium doped lanthanum manganese perovskite oxides, La1−xKxMnO3, with nanofibrous structure, are prepared and used for Photo-Fenton degradation of antibiotics, including ciprofloxacin (CIP), tetracycline (TC), and sulfathiazole (ST). Effects of K doping on the textural structure, optical property, band gap and surface chemistry of LaMnO3 are investigated, showing that La0.95K0.05MnO3 (LKMO-5) has the optimal properties. The photoelectric measurements, including photoluminescence (PL), photocurrent response (PCR) and electrochemical impedance spectroscopy (EIS), also suggest that the LKMO-5 has the best electron–hole separation efficiency, the most amounts of irradiated electrons and the lowest impedance. Photocatalytic tests indicate that LKMO-5 not only shows the best activity for CIP degradation, but also exhibits good stability in the reaction, with negligible activity loss within four cycles. Mechanism investigations, explored by the radical trapping experiments and with the reference of band positions, indicate that superoxide radical ions (·O2−) and holes (h+) are the major reactive species of the reaction.
Isothermal magnetization and magnetoresistive variations in trilayer (La2/3Sr1/3MnO3/γ-Fe2O3/La2/3Sr1/3MnO3) hetero-structure
Authors: Narwat Pooja , Mishra Ashutosh
Published: July 2024

We report the magnetic field dependent magnetization and magnetoresistance (MR) properties of La2/3Sr1/3MnO3 (LSMO)/

γ

-Fe2O3/LSMO trilayer heterostructure and single layer LSMO film grown on SiO2/Si (100) substrates utilizing Pulsed Laser Deposition technique. The metal- insulator-metal configuration is a magnetic tunnel junction topology, which is a parallel network of two metallic layers (LSMO) and one insulating layer (

γ

-Fe2O3) in current-in-plane (CIP) geometry. The intrinsically inhomogeneous polycrystalline trilayer film shows much lower (almost half ) coercivity, compared to single layer LSMO film. The MR-H [MR = (ρ (H)-ρ (0))/ρ (0)] behavior of the films is studied under two regimes namely, Low Field Magnetoresistance (LFMR) and High Field Magnetoresistance (HFMR) at 5 K and 300 K in the field range of 0–7 T. Several equations were developed to simulate the experimental MR-H data of the studied samples. For both the films, in the LFMR region (0 T < H ≤ 1 T @ 5 K), the variation in MR exhibits a linear increase with H, followed by a logarithmic behavior in the HFMR region (1 T < H ≤ 7 T @ 5 K). For the trilayer film in CIP geometry, a negative MR of 16% is achieved at 5 K and 1 T field conditions, while LSMO single layer shows a negative MR of 13% at same temperature and field conditions. The MR obtained at high field (7 T) for both the films is quantitatively equal with a value of 38% @ 5 K and 15% @ 300 K. We obtained significantly better MR-H results for the trilayer in current-perpendicular-to-plane (CPP) configuration, where the two metallic layers and an insulating layer are in series. In the CPP configuration, MR is 21% @ 5 K and 1 T field, while it reached to 44% at 5 K and 7 T field. At room temperature, the trilayer heterostructure shows MR of 17% at 7 T field condition. At a higher field of 9 T, trilayer film in CPP mode exhibits MR value of 48% @ 5 K and 23% @ 300 K. Further, the anti-parallel and parallel magnetization states of the MIM device are well manifested in CIP and CPP geometries.
One-loop power spectrum in ultra slow-roll inflation and implications for primordial black hole dark matter
Authors: Ballesteros Guillermo , Egea Jesús Gambín
Published: July 2024

We apply the in-in formalism to address the question of whether the size of the one-loop spectrum of curvature fluctuations in ultra-slow-roll inflation models designed for producing a large population of primordial black holes implies a breakdown of perturbation theory. We consider a simplified piece-wise description of inflation, in which the ultra-slow-roll phase is preceded and followed by slow-roll phases linked by transitional periods. We work in theδϕ-gauge, including all relevant cubic and quartic interactions and the necessary counterterms to renormalize the ultraviolet divergences, regularized by a cutoff. The ratio of the one-loop to the tree-level contributions to the spectrum of curvature perturbations is controlled by the duration of the ultra-slow-roll phase and of the transitions. Our results indicate that perturbation theory does not necessarily break in well-known models proposed to account for all the dark matter in the form of primordial black holes.
In vivo and dosimetric investigation on electrical vestibular stimulation with frequency- and amplitude-modulated currents
Authors: Nissi Janita , Kangasmaa Otto , Kataja Juhani , Bouisset Nicolas , Laakso Ilkka
Published: July 2024

Objective. Normal function of the vestibular system can be disturbed using a noninvasive technique called electrical vestibular stimulation (EVS), which alters a person’s sense of balance and causes false sensations of movement. EVS has been widely used to study the function of the vestibular system, and it has recently gained interest as a therapeutic tool to improve postural stability and help those suffering from vestibular dysfunction. Yet, understanding of how EVS stimulates the vestibular system, the current intensity needed to produce an effect and the frequencies at which it occurs have remained unclear. Approach. The effect of EVS on postural sway was examined in five participants using sinusoidal alternating current with time-varying amplitude from 0 to 1.5 mA and frequency from 0.1 to 10 Hz for three electrode configurations. Dosimetry of the current flow inside the head was conducted using anatomically realistic computational models created individually for each subject based on magnetic resonance imaging data. An estimate for the minimal field strength capable of affecting the vestibular system was calculated with the finite element method. Main results. Bipolar EVS at frequencies up to 10 Hz caused harmonic full-body swaying, and the frequency of the sway was the same as that of the stimulation current. The size of the sway was amplified by increasing the current intensity. Dosimetry modeling indicated that, for 0.2 mA current, the average electric field strength in the vestibular system was approximately 10–30 mV m−1, depending on the electrode montage. The size of the measured postural sway was proportional to the montage-specific electric field strength in the vestibular system. Significance. The results provide insight to EVS’s working mechanisms and improve its potential as a tool to study the sense of balance.
SomaSeg: a robust neuron identification framework for two-photon imaging video
Authors: Wu Junjie , Wang Hanbin , Gao Weizheng , Wei Rong , Zhang Jue
Published: July 2024

Objective. Accurate neuron identification is fundamental to the analysis of neuronal population dynamics and signal extraction in fluorescence videos. However, several factors such as severe imaging noise, out-of-focus neuropil contamination, and adjacent neuron overlap would impair the performance of neuron identification algorithms and lead to errors in neuron shape and calcium activity extraction, or ultimately compromise the reliability of analysis conclusions. Approach. To address these challenges, we developed a novel cascade framework named SomaSeg. This framework integrates Duffing denoising and neuropil contamination defogging for video enhancement, and an overlapping instance segmentation network for stacked neurons differentiating. Main results. Compared with the state-of-the-art neuron identification methods, both simulation and actual experimental results demonstrate that SomaSeg framework is robust to noise, insensitive to out-of-focus contamination and effective in dealing with overlapping neurons in actual complex imaging scenarios. Significance. The SomaSeg framework provides a widely applicable solution for two-photon video processing, which enhances the reliability of neuron identification and exhibits value in distinguishing visually confusing neurons.
Explainable artificial intelligence approaches for brain–computer interfaces: a review and design space
Authors: Rajpura Param , Cecotti Hubert , Kumar Meena Yogesh
Published: July 2024

Objective.This review paper provides an integrated perspective of Explainable Artificial Intelligence (XAI) techniques applied to Brain–Computer Interfaces (BCIs). BCIs use predictive models to interpret brain signals for various high-stake applications. However, achieving explainability in these complex models is challenging as it compromises accuracy. Trust in these models can be established by incorporating reasoning or causal relationships from domain experts. The field of XAI has emerged to address the need for explainability across various stakeholders, but there is a lack of an integrated perspective in XAI for BCI (XAI4BCI) literature. It is necessary to differentiate key concepts like explainability, interpretability, and understanding, often used interchangeably in this context, and formulate a comprehensive framework.Approach.To understand the need of XAI for BCI, we pose six key research questions for a systematic review and meta-analysis, encompassing its purposes, applications, usability, and technical feasibility. We employ the PRISMA methodology—preferred reporting items for systematic reviews and meta-analyses to review (n = 1246) and analyse (n = 84) studies published in 2015 and onwards for key insights.Main results.The results highlight that current research primarily focuses on interpretability for developers and researchers, aiming to justify outcomes and enhance model performance. We discuss the unique approaches, advantages, and limitations of XAI4BCI from the literature. We draw insights from philosophy, psychology, and social sciences. We propose a design space for XAI4BCI, considering the evolving need to visualise and investigate predictive model outcomes customised for various stakeholders in the BCI development and deployment lifecycle.Significance.This paper is the first to focus solely on reviewing XAI4BCI research articles. This systematic review and meta-analysis findings with the proposed design space prompt important discussions on establishing standards for BCI explanations, highlighting current limitations, and guiding the future of XAI in BCI.