bluuebunny/crossref_metadata_2025 huggingface dataset:
Correction: Synthesis of CuSe/PVP/GO and CuSe/MWCNTs for their applications as nonenzymatic electrochemical glucose biosensors
Authors: Yaseen Junaid , Saira Farhat , Imran Muhammad , Fatima Mahvish , Ahmed Hafiz Ejaz , Manzoor Muhammad Zeewaqar , Rasheed Momna , Nisa Iqbal , Mehmood Khalid , Batool Zahida
Published: June 2024

Correction for ‘Synthesis of CuSe/PVP/GO and CuSe/MWCNTs for their applications as nonenzymatic electrochemical glucose biosensors’ by Junaid Yaseen et al., RSC Adv., 2024, 14, 6896–6905, https://doi.org/10.1039/D3RA06713K.
Cluster analysis as a tool for quantifying structure–transport properties in simulations of superconcentrated electrolyte
Authors: Bi Sheng , Salanne Mathieu
Published: June 2024

Molecular dynamics simulations and graph-theory-based cluster analysis uncover distinct dynamics of different ionic species in water-in-salt electrolytes, revealing decoupled ion kinetics and providing insights into solvation structures.
Non-Aufbau electronic structure in radical enzymes and control of the highly reactive intermediates
Authors: Khalilian M. Hossein , DiLabio Gino A.
Published: June 2024

The SOMO–HOMO inversion present in glutamate mutase is more pronounced in the initially formed Ado radical, making it less reactive compared to when it is near the substrate. This gives the enzyme exquisite control over the radical’s reactivity.
Collective dynamics of active dumbbells near a circular obstacle
Authors: Tiwari Chandranshu , Singh Sunil P.
Published: June 2024

In this article, we present the collective dynamics of active dumbbells in the presence of a static circular obstacle using Brownian dynamics simulation.
Frank–Kasper phases in charge transfer complexes enable tunable photoelectronic properties
Authors: Zhao Xinyue , Wei Chenhui , Fuzhou Wang , Zhang Xinran , Wang Jianchuang , Wang Mengfei , Zhang Maoxin , Zhang Chunxiu , Chen Erqiang , Yu Haifeng
Published: June 2024

Understanding how particles pack in space and the mechanisms underlying symmetry selection across soft matter is challenging.
Thermally co-evaporated ternary chalcogenide AgBiS2 thin films for photovoltaic applications: new route for AgBiS2 synthesis and phase investigation
Authors: Choi Minho , Kim Suwhan , Lee Minwoo , Yun Jae Sung , Karade Vijay C. , Lim Jongchul , Yang JungYup , Park Jongsung
Published: June 2024

We presented the fabrication of AgBiS2 thin films using a thermal co-evaporation and their application in photovoltaics. The fabrication method utilized a compositional engineering approach that involved co-evaporation of Ag2S and Bi2S3 powders.
Bending two-dimensional Cu(i)-based coordination networks to inverse electrocatalytic HER/CO2RR selectivity
Authors: Zheng Kai , Hu Ding-Yi , Zhang Xue-Wen , Xiao Xian-Xian , Liang Zi-Jun , Wu Jun-Xi , Lin Duo-Yu , Zhuo Lin-Ling , Yi Heng , Gong Li , Zhou Dong-Dong , Zhang Jie-Peng
Published: June 2024

By introducing an amino group on the ligand, the shape of two-dimensional coordination polymers transforms from planar into wavy, creating a supramolecular microenvironment to boost the CO2RR for C2H4 and simultaneously restrict the HER.
Advancements in electrochemical biosensing of cardiovascular disease biomarkers
Authors: Kogularasu Sakthivel , Lin Wan-Ching , Lee Yen-Yi , Huang Bo-Wun , Chen Yung-Lung , Chang-Chien Guo-Ping , Sheu Jinn-Kong
Published: June 2024

Cutting-edge electrochemical biosensing techniques for detecting key cardiovascular disease biomarkers utilizing various technologies are explored.
Disorder-to-order transition of regiorandom P3HT upon electrochemical doping
Authors: Jackson Seth R. , Collins Garrett W. , Kingsford Rand L. , Martin Perry W. , Keller Jolene N. , Bischak Connor G.
Published: June 2024

Upon repeated electrochemical doping and thermal annealing, regiorandom P3HT undergoes a disorder-to-order structural change.
Effects of N,S doping on a graphene oxide aerogel for adsorption and photocatalytic reduction of carbon dioxide
Authors: Liu Yuhan , Shang Jing , Zhu Tong
Published: June 2024

A graphene oxide aerogel (GOA) can be used as a visible-light photocatalyst and CO2 adsorbent. N-doping increased the defect density and carrier separation ability, while S-doping improved the CO2 adsorption capacity.
XLSSC 122 caught in the act of growing up
Authors: van Marrewijk J. , Di Mascolo L. , Gill A. S. , Battaglia N. , Battistelli E. S. , Bond J. R. , Devlin M. J. , Doze P. , Dunkley J. , Knowles K. , Hincks A. , Hughes J. P. , Hilton M. , Moodley K. , Mroczkowski T. , Naess S. , Partridge B. , Popping G. , Sifón C. , Staggs S. T. , Wollack E. J.
Published: June 2024

Context.How protoclusters evolved from sparse galaxy overdensities to mature galaxy clusters is still not well understood. In this context, detecting and characterizing the hot intracluster medium (ICM) at high redshifts (z ∼ 2) is key to understanding how the continuous accretion from the filamentary large-scale structure and the mergers along it impact the first phases of cluster formation.

Aims.We study the dynamical state and morphology of thez = 1.98 galaxy cluster XLSSC 122 with high-resolution observations (≈5″) of the ICM through the Sunyaev–Zeldovich (SZ) effect. XLSSC 122 is the highest redshift optically confirmed galaxy cluster found in an unbiased, widefield survey.

Methods.Via Bayesian forward modeling, we mapped the ICM on scales from the virial radius down to the core of the cluster. To constrain such a broad range of spatial scales, we employed a new technique that jointly forward-models parametric descriptions of the pressure distribution to interferometric ACA and ALMA observations and multiband imaging data from ACT.

Results.We detect the SZ effect with 11σsignificance in the ALMA+ACA observations and find a flattened inner pressure profile that is consistent with a noncool core classification with a significance of ≥3σ. In contrast to the previous works, we find better agreement between the SZ effect signal and the X-ray emission as well as the cluster member distribution. Further, XLSSC 122 exhibits an excess of SZ flux in the south of the cluster where no X-ray emission is detected. By reconstructing the interferometric observations and modeling in theuv-plane, we obtain a tentative detection of an infalling group or filamentary-like structure in the southeast that is believed to boost and heat up the ICM while the density of the gas is still low. In addition to characterizing the dynamical state of the cluster, we provide an improved SZ mass estimateM500,c = 1.66−0.20+0.23 × 1014 M⊙.

Conclusions.Altogether, the observations indicate that we see XLSSC 122 in a dynamic phase of cluster formation while a large reservoir of gas is already thermalized.
Disk Evolution Study Through Imaging of Nearby Young Stars (DESTINYS): PDS 111, an old T Tauri star with a young-looking disk
Authors: Derkink Annelotte , Ginski Christian , Pinilla Paola , Kurtovic Nicolas , Kaper Lex , de Koter Alex , Valegård Per-Gunnar , Mamajek Eric , Backs Frank , Benisty Myriam , Birnstiel Til , Columba Gabriele , Dominik Carsten , Garufi Antonio , Hogerheijde Michiel , van Holstein Rob , Huang Jane , Ménard François , Rab Christian , Ramírez-Tannus María Claudia , Ribas Álvaro , Williams Jonathan P. , Zurlo Alice
Published: June 2024

Context. The interplay between T Tauri stars and their circumstellar disks, and how this impacts the onset of planet formation has yet to be established. In the last years, major progress has been made using instrumentation that probes the dust structure in the mid-plane and at the surface of protoplanetary disks. Observations show a great variety of disk shapes and substructures that are crucial for understanding planet formation.

Aims. We studied a seemingly old T Tauri star, PDS 111, and its disk. We combined complementary observations of the stellar atmosphere, the circumstellar hot gas, the surface of the disk, and the mid-plane structure.

Methods. We analyzed optical, infrared, and sub-millimeter observations obtained with VLT/X-shooter, Mercator/HERMES, TESS, VLT/SPHERE, and ALMA, providing a new view on PDS 111 and its protoplanetary disk. The multi-epoch spectroscopy yields photospheric lines to classify the star and to update its stellar parameters, and emission lines to study variability in the hot inner disk and to determine the mass-accretion rate. The SPHERE and ALMA observations are used to characterize the dust distribution of the small and large grains, respectively.

Results. PDS 111 is a weak-line TTauri star with spectral type G2, exhibits strong Hα variability and with a low mass-accretion rate of 1−5 × 10−10 M⊙ yr−1. We measured an age of the system of 15.9−3.7+1.7 Myr using pre-main sequence tracks. The SPHERE observations show a strongly flaring disk with an asymmetric substructure. The ALMA observations reveal a 30 au cavity in the dust continuum emission with a low contrast asymmetry in the South-West of the disk and a dust disk mass of 45.8 M⊙ or ~0.14 MJup. The 12CO observations do not show a cavity and the 12CO radial extension is at least three times larger than that of the dust emission.

Conclusions. Although the measured age is younger than often suggested in literature, PDS 111 seems relatively old; this provides insight into disk properties at an advanced stage of pre-main sequence evolution. The characteristics of this disk are very similar to its younger counterparts: strongly flaring, an average disk mass, a typical radial extent of the disk gas and dust, and the presence of common substructures. This suggests that disk evolution has not significantly changed the disk properties. These results show similarities with the “Peter Pan disks” around M-dwarfs, that “refuse to evolve”.
Imaging dark matter at the smallest scales with z  ≈ 1 lensed stars
Authors: Diego Jose M. , Kei Li Sung , Amruth Alfred , Meena Ashish K. , Broadhurst Tom J. , Kelly Patrick L. , Filippenko Alexei V. , Williams Liliya L. R. , Zitrin Adi , Harris William E. , Reina-Campos Marta , Giocoli Carlo , Dai Liang , Struble Mitchell F. , Treu Tommaso , Fudamoto Yoshinobu , Gilman Daniel , Koekemoer Anton M. , Lim Jeremy , Palencia Jose María , Sun Fengwu , Windhorst Rogier A.
Published: June 2024

Recent observations of caustic-crossing galaxies at redshift 0.7 ≲ z ≲ 1 show a wealth of transient events. Most of them are believed to be microlensing events of highly magnified stars. Earlier work predicts such events should be common near the critical curves (CCs) of galaxy clusters (“near region”), but some are found relatively far away from these CCs (“far region”). We consider the possibility that substructure on milliarcsecond scales (few parsecs in the lens plane) is boosting the microlensing signal in the far region. We study the combined magnification from the macrolens, millilenses, and microlenses (“3M lensing”), when the macromodel magnification is relatively low (common in the far region). After considering realistic populations of millilenses and microlenses, we conclude that the enhanced microlensing rate around millilenses is not sufficient to explain the high fraction of observed events in the far region. Instead, we find that the shape of the luminosity function (LF) of the lensed stars combined with the amount of substructure in the lens plane determines the number of microlensing events found near and far from the CC. By measuring β (the exponent of the adopted power law LF, dN/dL = ϕ(L)∝(1/L)β), and the number density of microlensing events at each location, one can create a pseudoimage of the underlying distribution of mass on small scales. We identify two regimes: (i) positive-imaging regime where β > 2 and the number density of events is greater around substructures, and (ii) negative-imaging regime where β < 2 and the number density of microlensing events is reduced around substructures. This technique opens a new window to map the distribution of dark-matter substructure down to ∼103 M⊙. We study the particular case of seven microlensing events found in the Flashlights program in the Dragon arc (z = 0.725). A population of supergiant stars having a steep LF with β = 2.55−0.56+0.72 fits the distribution of these events in the far and near regions. We also find that the new microlensing events from JWST observations in this arc imply a surface mass density substructure of Σ∗ = 54 M⊙ pc−2, consistent with the expected population of stars from the intracluster medium. We identify a small region of high density of microlensing events, and interpret it as evidence of a possible invisible substructure, for which we derive a mass of ∼1.3 × 108 M⊙ (within its Einstein radius) in the galaxy cluster.
Non-destructive methods of determining the properties of materials as a component of the “SMART HOUSE” system
Authors: Kolokhov Viktor
Published: June 2024

Adequate reflection of material properties by modern methods and devices is difficult. In addition, standardized methods do not allow to build an automated system for monitoring material properties during operation. Developing a monitoring system based on proper determination of the physical and mechanical characteristics of structural materials while the structure is in use could ensure the trouble-free operation, as well as determine the residual life buildings and structures. The research results allow us to establish the compliance of the methods for determining the properties of concrete with the control tasks and determine the limits of applicability of research methods. It is necessary to improve the accuracy of determining the physical and mechanical characteristics of reinforced concrete structures. This can be implemented by improving the method of non-destructive testing, taking into account the influence of significant factors. Systems for monitoring the properties of materials based on improved non-destructive testing methods allow to provide the SMART HOUSE system with sufficient stability and durability.
Modeling seawater distillation and scale deposition processes in shipboard equipment
Authors: Melnyk Oleksiy , Onishchenko Oleg , Jurkovič Martin , Koryakin Kostyantin , Storchak Oleksandr
Published: June 2024

This study addresses the complexities of shipboard desalination plants and scaling control methods in seawater distillation systems. Using advanced modeling techniques, the study examines the interaction of various parameters affecting system performance. Factors such as seawater density, thermal conductivity and specific heat capacity are considered along with scale deposition parameters such as salt concentration, scale formation rate and deposition rate. The study includes thermodynamic analysis, scale formation kinetics and heat transfer between different components of the system. The effect of salt concentration and pressure on scale deposition rate is also studied. The resulting integrated model provides insight into the optimization of desalination processes on board ships, thereby contributing to the improvement of water management strategies in offshore operations.
Typological analysis of mobile housing technology in the context of the problem of energy saving
Authors: Tsymbalova Tetiana , Kharlan Oleksandr , Shulha Hennady
Published: June 2024

The practice of using structural and functional features of mobile housing technologies is primarily related to migration processes: labour, tourist-recreational, educational, as well as forced ones (caused by militarypolitical and natural-technogenic disasters). In many leading and economically developed countries there is considerable experience in the implementation of landand water-based mobile housing technologies in the creation of socially affordable housing (including as part of an alternative approach to solving overpopulation problems). In modern conditions, new design methods based on the requirements of environmental friendliness and conservation of natural resources are introduced into architectural and construction activities all over the world. In the Ukrainian state, in connection with the existing political and economic situation, the practical development of mobile housing technologies is of particular social significance, taking into account the level of providing the population with housing of various types and quality. The application of mobile housing technologies can be, in particular, a temporary solution to the housing problem, thanks to certain advantages in terms of environmental friendliness and energy saving, in comparison with capital residential buildings. The use of mobile homes in Ukraine today is characterized by limited functional and typological composition. The development of the production of industrial mobile housing technologies has the prospect of their practical application in a wide operational spectrum.
Does green technology innovation contribute to regional carbon emission reduction? –Empirical analysis based on China provincial panel data
Authors: Wang Fang , Wang Tong , Zhao Yulin , Gu Junjian
Published: June 2024

To promote low-carbon economic, China proposed building a green low-carbon circular development economic system. Green technology innovation is the essential core to promote green high-quality development, and is an important support to solve the realistic ecological environmental problems in our country. To study the influence mechanism of green technology innovation on regional carbon emission reduction, a fixed-effect model is constructed based on panel data from 30 provinces during 2011-2020, and this paper examines the mediating mechanism of energy efficiency. The results show that green technology innovation can significantly promote carbon emission reduction. Further research shows that green technology innovation can promote carbon emission reduction by improving energy efficiency.
Hurdles on the way to the diagnosis of asthma and successful therapy
Authors: Hausen Thomas
Published: June 2024

There are many potential hurdles, obviously at the forefront of patient care which may impede the correct and early diagnosis of asthma, as well as successful, appropriate treatment. Although the illness is often accompanied by many typical signs which may enable a rapid diagnosis, these are often overlooked or misinterpreted. Symptoms may not be recognised or confused with others, such as respiratory infections, and inappropriate diagnostic tests used. Inappropriate therapy (absent or insufficient dosage of a topical anti-inflammatory and/or exclusive usage of a short-acting beta-agonist) and failure to adapt therapy may further impede the patient’s chance to live without symptoms.
Sessile serrated lesion prevalence and factors associated with their detection: a post-hoc analysis of a multinational randomized controlled trial from Asia
Authors: Tan Chin Kimg , Suzuki Sho , Ang Tiing Leong , Koh Xuan Han , Wang Lai Mun , Aniwan Satimai , Chiu Han-Mo , Laohavichitra Kannikar , Chirapongsathorn Sakkarin , Yamamura Takeshi , Kuo Chen Ya , Yoshida Naohisa , Takezawa Takahito , Rerknimitr Rungsun , Ishikawa Hideki , Gotoda Takuji
Published: June 2024

Background Sessile serrated lesions (SSLs) are associated with an increased risk of colorectal cancer. Data on the prevalence of SSLs in Asia are limited. We performed this study to estimate the prevalence of SSLs in Asia and to explore endoscopic factors that are associated with SSL detection.

Methods This is a post-hoc analysis of a multicenter randomized controlled trial from four Asian countries/regions that compared adenoma detection rates using linked-color imaging (LCI) and white-light imaging. Colonoscopies were performed in an average-risk population for screening, diagnostic examination, or polyp surveillance. Patients with SSLs were compared against those without SSLs to evaluate for possible predictors of SSL detection using Firth’s logistic regression.

Results 2898 participants (mean age 64.5 years) were included in the analysis. The estimated prevalence of SSLs was 4.0% (95%CI 3.4%–4.8%), with no sex or age group differences. On multivariable analysis, use of LCI (adjusted odds ratio [aOR] 1.63, 95%CI 1.10–2.41), experienced endoscopists (aOR 1.94, 95%CI 1.25–3.00), use of transparent cap (aOR 1.75, 95%CI 1.09–2.81), and longer withdrawal time (aOR 1.06, 95%CI 1.03–1.10) were independently associated with SSL detection. Synchronous adenoma detection (aOR 1.89, 95%CI 1.20–2.99) was also predictive of SSL detection.

Conclusion The prevalence of SSLs in Asia is 4.0%. Use of LCI or
a transparent cap, greater endoscopist experience, and longer withdrawal time were all
associated with increased SSL detection.
Scholarly Impact of Quality Improvement Reports in Neonatology
Authors: Sivadanam Supriya , Teiko-Awere Edna , Tumin Dmitry , Haberstroh Amanda , Reis Heidi , Akpan Uduak S.
Published: June 2024

Objective Neonatology quality improvement (QI) projects can improve the safety and value of health care, but the scholarly impact of published QI projects is unclear. We measured scholarly citation and media attention garnered by published neonatology QI projects and analyzed project or publication characteristics associated with increased impact metrics.

Study Design We identified publications between 2016 and 2019 using mapping review methodology. We correlated project characteristics with measures of scholarly citation in Scopus and Google Scholar, and media attention as measured by Altmetrics. We collected Citation and Altmetric data in 2023.

Results The search identified 148 eligible articles, with a median citation count of 7 based on Scopus (or 12, based on Google Scholar) and a median Altmetric score of 2. Notably, 66% of articles published in a journal with an Impact Factor (IF) had more citations per year than would be expected from the IF value. Higher scientific citations were associated with articles reporting process and cost outcomes; implementing interventions that addressed family education or organizational change; and using regression analysis. Higher media attention was associated with multicenter projects, longer intervention periods, and projects scoring higher on the Quality Improvement Minimum Quality Criteria Set (QI-MQCS) rubric.

Conclusion Published neonatology QI projects are well cited in subsequent scientific publications, with the choice of project outcome, interventions, and analytic strategy influencing citation metrics. Adherence to QI-MQCS guidelines was favorably associated with media attention, but not with scholarly citations.

Key Points
Demographic Profile, Clinical Features, Imaging, and Outcomes in Patients with Traumatic Brain Injury Presenting in Garhwal Himalayas in Tertiary Care Hospital
Authors: Garg Ritish , Arora Pankaj , Shankar Vibhu
Published: June 2024

Introduction Traumatic brain injury (TBI) poses a significant global health challenge, accounting for over 50% of trauma-related deaths and emerging as a leading cause of mortality and disability.

Objective This article studies the demographic characteristics, clinical features, imaging findings, and outcomes of TBI patients.

Materials and Methods This was a retrospective observational study conducted on 490 patients with TBI. Data regarding age, gender, socioeconomic status, and residential location were extracted from medical records. Neuroimaging reports, including computed tomography (CT) scans results, were analyzed for structural and functional insights.

Results The majority of TBI cases involved individuals aged 21 to 40, with a higher incidence in males. Road traffic accidents were identified as the most common mode of injury, followed by falls. Most of the patients had moderate Glasgow Coma Scale scores at admission. CT scans indicated skull fractures, cerebral edema, and subdural hematomas as common findings. Most patients did not require ventilator support, and the majority had a hospital stay of less than 10 days. At discharge, 89.8% exhibited favorable outcomes, while 4.3% experienced mortality during treatment. Follow-up data demonstrated an overall mortality rate of 8.8%, with 89.2% achieving complete recovery within a month.

Conclusion The study underscores the importance of understanding the multifaceted aspects of TBI, emphasizing the need for integrated approaches in tertiary medical care to optimize patient outcomes and contribute to effective public health strategies.
Clinical and Molecular Characteristics of Megakaryocytes in Myelodysplastic Syndrome
Authors: Luo Fangxiu , Zhao Jialu , Chen Yubao , Peng Zhenping , An Ran , Lu Yeling , Li Jiaming
Published: June 2024

Objective Myelodysplastic syndrome (MDS) is a malignant clonal disorder of hematopoietic stem cells which is characterized by morphologic dysplasia. However, the pathological characteristics of megakaryocytes (MKs) in MDS patients with gene mutation are not well established.

Methods Bone marrow MK specimens from 104 patients with primary MDS were evaluated, and all patients were distributed into two groups according to gene mutation associated with functional MKs. The morphologic and cellular characteristics of MKs and platelets were recorded and compared.

Results The more frequently mutated genes in MDS patients were TUBB1 (11.54%), VWF (8.65%), NBEAL2 (5.77%), and the most common point mutation was TUBB1 p.(R307H) and p.(Q43P). Patients with MK mutation showed a decrease in adenosine diphosphate-induced platelet aggregation, high proportion of CD34+ CD61+ MKs (10.00 vs. 4.00%, p = 0.012), and short overall survival (33.15 vs. 40.50 months, p = 0.013). Further, patients with a higher percent of CD34+ CD61+ MKs (≧20.00%) had lower platelet counts (36.00 × 109/L vs. 88.50 × 109/L, p = 0.015) and more profound emperipolesis (p = 0.001). By analyzing RNA-sequencing of MKs, differentially expressed mRNA was involved in physiological processes including platelet function and platelet activation, especially for MDS patients with high percent of CD34+CD61+MKs. The high levels of expression of CD62P, CXCL10, and S100A9 mRNA, shown by RNA sequencing, were validated by PCR assay.

Conclusion High proportion of CD34+ CD61+ MKs was a poor prognostic factor in MDS patients with MK mutation. CD62P, CXCL10, and S100A9 may be the potential targets to evaluate the molecular link between gene defects and platelet function.
Medieval re-creation and translation in Edwin Morgan and Derek Jarman’s archives: A dialogue
Authors: Brooks Francesca , Myerson E. K.
Published: June 2024

This dialogue brings together two archives: the Derek Jarman collection at Tate Britain and the Edwin Morgan manuscripts at the University of Glasgow Library Archives and Special Collections. Both Jarman and Morgan were queer artists who reforged the medieval past through visual and verbal processes, including scrapbooking, collage, and translation. The dialogue also brings together two critics, Francesca Brooks and E.K. Myerson, who have been responding to these archives through a combination of traditional scholarship and creative practice. Both in their approach to the medieval past and in their multimedia, visio-verbal practices, Jarman and Morgan’s archives are generative, fluid, and expansive spaces that invite embodied, affective, and creative responses. The dialogue explores what it means to be a medievalist working in the modern archive and how our critical approaches to the medieval subjects of our research might be changed and transformed by this work.
Identifying the losers in the transport transition: evidence from Germany
Authors: Rangel Guevara Andrea C.
Published: June 2024

Public acceptance of transport transition policies in the European Union is low as they are considered regressive. This paper provides a clear way of identifying the winners and losers of these policies by focusing on transport poverty. A two-step methodology is followed. First, principal component analysis (PCA) unifies the literature by defining the main underlying dimensions of transport poverty. These highlight the importance of a household’s spatial matching, self-imposed driving restrictions, and available resources. Second, the use of a latent class model (LCM) makes it possible to classify households according to four profiles in the first-ever transport poverty scale (TPS). 14.7 million German households are classified as transport-poor and car-dependent. These two classes represent the most constrained households in terms of resources (time and money) and options available for transport. The degree of spatial matching plays a key role in defining class assignments. Finally, the application of the TPS quantifies the heterogeneous reaction of each transport poverty class to increases in the cost of driving (e.g., the carbon tax). The car-dependent and the transport-poor are the losers in the transition due to inelastic driving demand. Policies reflecting class-based responses to achieve the goals of the transport transition are presented. Alleviating the burden on the transport-poor and car-dependent could increase the acceptability of policies and accelerate the transport transition.
The mediating role of accounting information systems in small and medium enterprise strategies and organizational performance in Iraq
Authors: Kareem Haitham Mohsin , Alsheikh Awatif Hodaed , Alsheikh Warda Hodaed , Dauwed Mohammed , Meri Ahmed
Published: June 2024

This paper examined accounting information systems (AIS) as a mediator between small and medium-sized enterprises (SMEs) strategies, including (finance source, administrative innovation, organizational culture, developing capabilities levels of SMEs, information source, development of business managers, and technological innovation) and organizational performance. In this quantitative study, 450 self-administered questionnaires were distributed to the managers and owners of SMEs using purposive sampling. Data were analyzed using the structural equation modeling (SEM) method via SmartPLS3 Software. The study offers empirical findings on the importance of AIS as a mediator, considers various factors, and provides clear strategies for better work performance. The study confirmed that the SMEs’ strategy and the use of an AIS significantly and positively affected SMEs’ organizational performance, while AIS use partially mediated between SMEs’ strategy and organizational performance. This result confirms that an SME can enhance its performance by using AIS. AIS can support organizational performance through an SME strategy, avoid human errors, provide cost-against-time savings, and assist in timely internal decision-making considering long-term benefits. However, the results may not reflect the actual performance situation and cannot be generalized to all provinces or other countries because environments differ.
Collagen density regulates tip–stalk cell rearrangement during angiogenesis via cellular bioenergetics
Authors: Wang Wenjun , Zanotelli Matthew R. , Sabo Lindsey N. , Fabiano Emily D. , Goldfield Natalie M. , Le Chloe , Techasiriwan Elle P. , Lopez Santiago , Berestesky Emily D. , Reinhart-King Cynthia A.
Published: June 2024

Tumor vasculature plays a crucial role in tumor progression, affecting nutrition and oxygen transportation as well as the efficiency of drug delivery. While targeting pro-angiogenic growth factors has been a significant focus for treating tumor angiogenesis, recent studies indicate that metabolism also plays a role in regulating endothelial cell behavior. Like cancer cells, tumor endothelial cells undergo metabolic changes that regulate rearrangement for tip cell position during angiogenesis. Our previous studies have shown that altered mechanical properties of the collagen matrix regulate angiogenesis and can promote a tumor vasculature phenotype. Here, we examine the effect of collagen density on endothelial cell tip–stalk cell rearrangement and cellular energetics during angiogenic sprouting. We find that increased collagen density leads to an elevated energy state and an increased rate of tip–stalk cell switching, which is correlated with the energy state of the cells. Tip cells exhibit higher glucose uptake than stalk cells, and inhibition of glucose uptake revealed that invading sprouts rely on glucose to meet elevated energy requirements for invasion in dense matrices. This work helps to elucidate the complex interplay between the mechanical microenvironment and the endothelial cell metabolic status during angiogenesis, which could have important implications for developing new anti-cancer therapies.
Intrinsic Kerr amplification for microwave electromechanics
Authors: Scarano Ermes , Arvidsson Elisabet K. , Roos August K. , Holmgren Erik , Haviland David B.
Published: June 2024

Electromechanical transduction gain of 21 dB is realized in a micro-cantilever resonant force sensor operated in the unresolved-sideband regime. Strain-dependent kinetic inductance weakly couples cantilever motion to a superconducting nonlinear resonant circuit. A single pump generates motional sidebands and parametrically amplifies them via four-wave mixing. We study the gain and added noise, and we analyze potential benefits of this integrated amplification process in the context force sensitivity.
Coupled Monte Carlo density functional theory calculations of cold and laser-assisted electron field emission from graphene-coated copper cathode
Authors: Pokhrel Y. M. , Iqbal Y. , Shrestha S. C. , Sanati M. , Joshi R. P.
Published: June 2024

Field emission is an important process with a variety of applications. Quantitative predictions of such electron emission need to include details of the internal potentials that shape the electronic wavefunctions (and hence the tunneling probability), predictive analysis of the work function barrier (ΦB), and knowledge of the electron distribution at the surface that constitutes the supply function. Here, these various factors were all collectively considered based on a combined Monte Carlo-density functional theory approach. Results were obtained for both the field-dependent cold electron emission current density as well as photoemission from a short laser pulse. The method also allows for calculations of field-dependent emittance. The technique is general and could be extended to include plasmon–polariton modes, different thicknesses of coatings, and role of surface adsorbates and defects.
Research on direction of arrival estimation for mixed broadband signals
Authors: Pei Qiuqiu , Shuai Changgeng , Sun YuChen
Published: June 2024

In practical applications, the signals received by a hydrophone array include coherent and incoherent signals, while estimating the direction of arrival (DOA) of coherent or incoherent signals has been studied for simplicity with poor performance for a mixed signal. The present study proposes a novel approach for estimating the DOA of mixed broadband signals to solve this problem, namely the oblique method. The unitary oblique method is simultaneously proposed to improve operational efficiency with the complex matrix shifted into a real valued matrix through a unitary transform. For independent signals, the incoherent signal subspace method (ISSM) is used to estimate the DOA. Matrix difference and oblique projection methods are adopted for multi-group coherent signals in order to eliminate the influence of incoherent signals and other groups of coherent signals. For broadband signals, the Tasseled Cap Transformation focusing transform is utilized to convert the broadband signal to the focusing frequency, and then the high-resolution Multiple Signal Classification algorithm method is employed to solve the problem. Simulation results indicate that the oblique method reconciles DOA estimation performance and computational efficiency and can be extended to other types of arrays.
Influence of oxygen on electrical conductance and local structural properties of BiFeO3 thin films
Authors: Laohana Peerawat , Limphirat Wanwisa , Srisom Kriettisak , Janphuang Pattanaphong , Meevasana Worawat , Saenrang Wittawat
Published: June 2024

The effect of oxygen on the electrical conductance and local structural properties of BiFeO3 (BFO) thin films on SiO2/Si substrates grown by RF magnetron sputtering was investigated. The conductivities of BFO were studied in a planar electrode with blue light irradiation. The BFO films grown with oxygen (BFO-O2) show a large conductivity increase, which is 12.66 times more than the BFO grown without oxygen (BFO), and the conductivity change is entirely caused by the BFO thin films. To explain the mechanism of increased electrical conductance, the local structure at the Fe K-edge was investigated by using time-resolved x-ray absorption spectroscopy (TRXAS). The applied voltage and blue light exposure affected the Fe–O bond, while the valence states of Fe atoms in BFO thin films remained unchanged. When the BFO films were irradiated, the bonding distance of the Fe–O bond was deviated, resulting in an oxygen vacancy. These findings imply that BFO thin films with more oxygen components exhibit higher electrical conductivity when exposed to blue light. The results of this research should pave the way for optoelectronic applications to modulate the electrical conductivity driven by oxygen and blue light.
SCINE—Software for chemical interaction networks
Authors: Weymuth Thomas , Unsleber Jan P. , Türtscher Paul L. , Steiner Miguel , Sobez Jan-Grimo , Müller Charlotte H. , Mörchen Maximilian , Klasovita Veronika , Grimmel Stephanie A. , Eckhoff Marco , Csizi Katja-Sophia , Bosia Francesco , Bensberg Moritz , Reiher Markus
Published: June 2024

The software for chemical interaction networks (SCINE) project aims at pushing the frontier of quantum chemical calculations on molecular structures to a new level. While calculations on individual structures as well as on simple relations between them have become routine in chemistry, new developments have pushed the frontier in the field to high-throughput calculations. Chemical relations may be created by a search for specific molecular properties in a molecular design attempt, or they can be defined by a set of elementary reaction steps that form a chemical reaction network. The software modules of SCINE have been designed to facilitate such studies. The features of the modules are (i) general applicability of the applied methodologies ranging from electronic structure (no restriction to specific elements of the periodic table) to microkinetic modeling (with little restrictions on molecularity), full modularity so that SCINE modules can also be applied as stand-alone programs or be exchanged for external software packages that fulfill a similar purpose (to increase options for computational campaigns and to provide alternatives in case of tasks that are hard or impossible to accomplish with certain programs), (ii) high stability and autonomous operations so that control and steering by an operator are as easy as possible, and (iii) easy embedding into complex heterogeneous environments for molecular structures taken individually or in the context of a reaction network. A graphical user interface unites all modules and ensures interoperability. All components of the software have been made available as open source and free of charge.
Novel hard and unusual superconducting monoclinic phase of FeB2C2: An ab initio evolutionary study
Authors: Kotmool Komsilp , Pinsook Udomsilp , Luo Wei , Ahuja Rajeev , Bovornratanaraks Thiti
Published: June 2024

This study focuses on conducting an ab initio evolutionary investigation to search for stable polymorphs of iron diborocarbides with the formula FeB2C2. We also examined other forms of C contents, including FeB3C and FeBC3. Our findings reveal that the lowest energetic structure of FeB2C2 is a semimetallic monoclinic phase with a space group (s.g.) of C2/m and a metastable metallic phase of FeB2C2 is an orthorhombic structure with s.g. of Pmmm. In addition, structural and relative properties of FeB3C and FeBC3 are performed and discussed to compare with FeB2C2. All predicted structures are dynamically and elastically stable, verified without negative phonon frequency and Born criteria, respectively. We also analyzed the energetic stability through calculated cohesive and formation energies, which showed that C2/m-FeB2C2 is stable at low pressure. Interestingly, the C2/m and Pmmm phases of FeB2C2 are hard materials with Vickers hardness (Hv) of 22.40 and 27.52 GPa, respectively. Additionally, we examined the electron–phonon coupling of both FeB2C2 phases. Unexpectedly, we found that the semimetallic C2/m-FeB2C2 phase is a superconductor with a significant superconducting temperature (Tc) exceeding 6 K. These findings provide some novel results for the Fe–B–C system and pave the way for investigating other metal borocarbides and related ternary compounds.
Vortex-induced vibration characteristics of rigidly connected four-cylinder system and nonlinear energy sinks for vibration suppression
Authors: Zhang Xinsheng , Chen Dongyang , Luo Yang , Lin Yaochen , Liu Jing , Pan Guang
Published: June 2024

In order to study the vortex-induced vibration (VIV) characteristics of rigidly connected four-cylinder systems and the suppression of vortex-induced vibration by nonlinear energy sinks (NESs), a fluid–structure coupling dynamic simulation model of a two-degree-of-freedom rigidly connected four-cylinder system is established based on computational fluid dynamics, structural dynamics, and overset mesh technology. The accuracy of the numerical model established in this paper is verified by comparing with the experimental data of literatures. The results show that the dimensionless vertical amplitude of the four-cylinder system decreases with increase in the inflow angle, the reduced velocity advance of the maximum vertical amplitude moves forward and the frequency “lock-in” interval is shortened. Among them, the maximum amplitude at Ur=7 is 0.75 when the inflow angle is 0°, and the maximum amplitude is 0.54 at Ur=6.5 when the inflow angle is 45°. The corresponding frequency “lock-in” interval ranges from Ur=4.5–7 change to Ur=5–6.5. The NES can absorb the cylinder vibration energy, and when the NES parameter β=0.1,ξ=0.8,γ=0.8, the maximum vertical of the four-cylinder system with inflow angle of 0° can be reduced by 76%.
Charge-symmetric and -asymmetric fragmentation dynamics of argon dimers in slow Ar8+–Ar2 collisions
Authors: Siddiki Md Abul Kalam Azad , Kumar Kamal , Singh Harpreet , Mukherjee Jibak , Tribedi Lokesh C. , Misra Deepankar
Published: June 2024

We present an experimental study of multiple-electron capture-induced fragmentation dynamics of Ar2m+ (4 ≤m≤ 7) dimer ions in 4 keV/u Ar8+–Ar2 collisions. The fragment recoil ion pairs and the charge-changing projectiles are coincidentally measured using a double coincidence technique. The branching ratios between the different charge-sharing fragmentation channels show an inherent enhancement of the asymmetric channels. The kinetic energy release (KER) distributions for the associated electron capture process show a shift in the mean KER values toward the higher side with increasing capture stabilization. The interplay between the different projectile autoionization processes sheds light on the energy depositions to the system during collisions. The Coulomb potential energy curves give a physical insight into the role of the projectile final states in the dimer fragmentation dynamics. The dimer-axis orientation-dependent cross sections for the asymmetric fragmentation channels reveal a forward–backward asymmetry that arises from the geometry of the collision system. Our findings thus give insight into the impact parameter-controlled fragmentation dynamics of multiply charged Ar2m+ dimer ions in highly charged ion–dimer slow collisions.
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
Authors: Tao Yujun , Giese Timothy J. , Ekesan Şölen , Zeng Jinzhe , Aradi Bálint , Hourahine Ben , Aktulga Hasan Metin , Götz Andreas W. , Merz Kenneth M. , York Darrin M.
Published: June 2024

We report the development and testing of new integrated cyberinfrastructure for performing free energy simulations with generalized hybrid quantum mechanical/molecular mechanical (QM/MM) and machine learning potentials (MLPs) in Amber. The Sander molecular dynamics program has been extended to leverage fast, density-functional tight-binding models implemented in the DFTB+ and xTB packages, and an interface to the DeePMD-kit software enables the use of MLPs. The software is integrated through application program interfaces that circumvent the need to perform “system calls” and enable the incorporation of long-range Ewald electrostatics into the external software’s self-consistent field procedure. The infrastructure provides access to QM/MM models that may serve as the foundation for QM/MM–ΔMLP potentials, which supplement the semiempirical QM/MM model with a MLP correction trained to reproduce ab initio QM/MM energies and forces. Efficient optimization of minimum free energy pathways is enabled through a new surface-accelerated finite-temperature string method implemented in the FE-ToolKit package. Furthermore, we interfaced Sander with the i-PI software by implementing the socket communication protocol used in the i-PI client–server model. The new interface with i-PI allows for the treatment of nuclear quantum effects with semiempirical QM/MM–ΔMLP models. The modular interoperable software is demonstrated on proton transfer reactions in guanine-thymine mispairs in a B-form deoxyribonucleic acid helix. The current work represents a considerable advance in the development of modular software for performing free energy simulations of chemical reactions that are important in a wide range of applications.
Solvent structure and dynamics over Brønsted acid MWW zeolite nanosheets
Authors: Wilson Woodrow N. , Whittington Justin , Rai Neeraj
Published: June 2024

In the liquid phase of heterogeneous catalysis, solvent plays an important role and governs the kinetics and thermodynamics of a reaction. Although it is often difficult to quantify the role of the solvent, it becomes particularly challenging when a zeolite is used as the catalyst. This difficulty arises from the complex nature of the liquid/zeolite interface and the different solvation environments around catalytically active sites. Here, we use ab initio molecular dynamics simulations to probe the local solvation structure and dynamics of methanol and water over MWW zeolite nanosheets with varying Brønsted acidity. We find that the zeolite framework and the number and location of the acid sites in the zeolite influence the structure and dynamics of the solvent. In particular, methanol is more likely to be in the vicinity of the aluminum (Al3+) at the T4 site than at T1 due to easy accessibility. The methanol oxygen binds strongly to the Al at the T4 site, weakening the Al–O for the bridging acid site, which results in the formation of the silanol group, significantly reducing the acidity of the site. The behavior of methanol is in direct contrast to that of water, where protons can easily propagate from the zeolite to the solvent molecules regardless of the acid site location. Our work provides molecular-level insights into how solvent interacts with zeolite surfaces, leading to an improved understanding of the catalytic site in the MWW zeolite nanosheet.