bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of treatment for early gestational diabetes mellitus on neonatal respiratory distress: A secondary analysis of the TOBOGM study
Authors: Simmons David , Immanuel Jincy , Hague William M. , Coat Suzette , Teede Helena , Nolan Christopher J. , Peek Michael J. , Flack Jeff R. , McLean Mark , Wong Vincent W. , Hibbert Emily J. , Kautzky‐Willer Alexandra , Harreiter Jürgen , Backman Helena , Gianatti Emily , Sweeting Arianne , Mohan Viswanathan , Cheung N. Wah ,   the TOBOGM Research Group
Published: August 2024

Objective

To identify factors associated with neonatal respiratory distress (NRD) in early Gestational diabetes mellitus (eGDM).

Design

Nested case–control analysis of the TOBOGM trial.

Setting

Seventeen hospitals: Australia, Sweden, Austria and India.

Population

Pregnant women, <20 weeks' gestation, singleton, GDM risk factors.

Methods

Women with GDM risk factors completed an oral glucose tolerance test (OGTT) before 20 weeks: those with eGDM (WHO‐2013 criteria) were randomised to immediate or deferred GDM treatment. Logistic regression compared pregnancies with/without NRD, and in pregnancies with NRD, those with/without high‐dependency nursery admission for ≤24 h with those admitted for >24 h. Comparisons were adjusted for age, pre‐pregnancy body mass index, ethnicity, smoking, primigravity, education and site. Adjusted odds ratios (95% CI) are reported.

Main Outcome Measures

NRD definition: ≥4 h of respiratory support (supplemental oxygen or supported ventilation) postpartum. Respiratory distress syndrome (RDS): Supported ventilation and ≥24 h nursery stay.

Results

Ninety‐nine (12.5%) of 793 infants had NRD; incidence halved (0.50, 0.31–0.79) if GDM treatment was started early. NRD was associated with Caesarean section (2.31, 1.42–3.76), large for gestational age (LGA) (1.83, 1.09–3.08) and shorter gestation (0.95, 0.93–0.97 per day longer). Among NRD infants, >24 h nursery‐stay was associated with higher OGTT 1‐h glucose (1.38, 1.08–1.76 per mmol/L). Fifteen (2.0%) infants had RDS.

Conclusions

Identifying and treating eGDM reduces NRD risk. NRD is more likely with Caesarean section, LGA and shorter gestation. Further studies are needed to understand the mechanisms behind this eGDM complication and any long‐term effects.
Genuine CSR motive and organizational attractiveness: The effects of a Company's inconsistent CSR behaviors on moral jobseekers
Authors: Kim Kihyon , Jhang JiHoon , Oh Se‐Hyung
Published: August 2024

Research on recruitment shows that jobseekers display positive attitudinal and behavioral responses to potential employers' corporate social responsibility (CSR), while corporate social irresponsibility (CSI) works contrariwise. However, few studies have examined how jobseekers react to companies that show the two attributes in an inconsistent way. This study investigates how jobseekers' perceptions of a company, shaped by its CSR history, are changed based on its recent CSR/CSI practices. It also examines how jobseekers' moral traits affect their perceptions of and behavioral intentions toward the company, influenced by the (in)consistency of its CSR. The results of a scenario‐based experiment with 203 subjects show that jobseekers perceive a company with a strong (vs. weak) CSR history as warmer and infer that its CSR motive is genuine. However, when they obtain information about the company's recent CSI practices, they tend to perceive that the motivation of the previous CSR is not genuine and are less likely to be attracted by the company. This tendency is amplified when the jobseekers have a strong propensity to belong to ethical organizations. This research contributes to the literature on the effects of the (in)consistency of a company's CSR on its external stakeholders.
Open innovation to scale up the circular economy: Exploring the mediating role of Industry 4.0 technologies
Authors: Jesus Gessica Mina Kim , Jugend Daniel , de Camargo Fiorini Paula , de Sousa Mendes Glauco Henrique
Published: August 2024

By fostering the flow of ideas, knowledge and technologies, open innovation can contribute to the implementation of the circular economy. However, despite the synergy between open innovation and the circular economy, and especially the support that open innovation can provide in overcoming the innovation and technological barriers associated with the transition to circular business models, there are still few studies investigating the relationship between these themes. With the aim of filling this research gap, the present study analysed how open innovation affects the implementation of the circular economy and the mediating role of Industry 4.0 technologies, using absorptive capacity as a moderating factor. The study analysed data collected from 163 companies operating in Brazil. The main findings indicate that (i) the use of open innovation practices is favourable to circular economy implementation; (ii) Industry 4.0 technologies have a positive impact on the adoption of the circular economy and mediate the relationship between open innovation and the circular economy; (iii) absorptive capacity does not demonstrably moderate the relationship between open innovation and the circular economy. The results of the study show that open innovation practices, such as collaboration with external actors and the co‐creation approach along with the adoption of Industry 4.0 technologies, are positive for the implementation of the circular economy.
A social price to the rising cost of living? The bidirectional relationship between inflation and trust
Authors: Wu Cary , Bierman Alex , Schieman Scott
Published: August 2024

This study examines whether social trust, the general belief that most people are honest and trustworthy, shapes perceptions of personal increases in cost of living and whether perceptions of increases in cost of living affect social trust. We analyze panel data from the Canadian Quality of Work and Economic Life Study (N = 2353) that was gathered between the fall of 2021 and spring of 2022, when inflation rose precipitously in Canada. Using a combination of entropy balancing and logistic regression, we estimate a statistically significant but weak causal effect of social trust on the perception of an increase in cost of living. The estimated causal effect of subjective inflation on declining trust is substantially larger. Additionally, financial strain does not moderate either estimated causal effect. In conclusion, rising inflation appears to not only threaten economic security—inflation also appears to harm the social fabric by depleting social trust.
Using ultrasound radiomics to forecast adverse cardiovascular events in patients with acute coronary syndrome after percutaneous coronary intervention
Authors: Wu Shutian , Liu Biaohu , Fan Haiyun , Zhong Yuxin , Yang You , Yao Aling
Published: August 2024

Objective

Exploring the performance of ultrasound‐based radiomics in forecasting major adverse cardiovascular events (MACE) within 1 year following percutaneous coronary intervention (PCI) of acute coronary syndrome (ACS) patients.

Methods

In this research, 161 ACS patients who underwent PCI were included (114 patients were randomly assigned to the training set and 47 patients to the validation set). Every patient received echocardiography 3–7 days after PCI and followed up for 1 year. The radiomics features related to MACE occurrence were extracted and selected to formulate the RAD score. Building ultrasound personalized model by incorporating RAD score, LVEF, LVGLS, and NT‐ProBNP. The model's capacity to predict was tested using ROC curves.

Results

Multifactorial logistic regression analysis of RAD score with clinical data and echocardiographic parameters indicated RAD score and LVGLS as independent risk factors for the occurrence of MACE. The RAD score predicted MACE, with AUC values of 0.85 and 0.86 in the training and validation sets. The ultrasound personalized model had a superior ability to predict the occurrence of MACE, with AUC values of 0.88 and 0.92, which were higher than those of the clinical model (with AUC of 0.72 and 0.80) without RAD score (Z = 3.711, 2.043, P < .001, P = .041). Furthermore, DCA indicated that the ultrasound personalization model presented a more favorable net clinical benefit.

Conclusions

Ultrasound radiomics can be a reliable tool to predict the incidence of MACE after PCI in patients with ACS and provides quantifiable data for personalized clinical treatment.
Application of telemetry‐based fish habitat models to predict spatial habitat availability and inform ecological restoration
Authors: Larocque Sarah M. , Bzonek Paul A. , Brownscombe Jacob W. , Martin Gillian K. , Brooks Jill L. , Boston Christine M. , Doka Susan E. , Cooke Steven J. , Midwood Jonathan D.
Published: August 2024

Conservation decisions surrounding which fish habitats managers choose to protect and restore are informed by fish habitat models. As acoustic telemetry has allowed for improvements in our ability to directly measure fish positions year‐round, so too have there been opportunities to refine and apply fish habitat models. In an area with considerable anthropogenic disturbance, Hamilton Harbour in the Laurentian Great Lakes, we used telemetry‐based fish habitat models to identify key habitat variables, compare habitat associations among seasons, and spatially identify the presence distribution of six fish species. Using environmental data and telemetry‐based presence–absence from 2016 to 2022, random forest models were developed for each species across seasons. Habitat variables with the highest relative importance across species included fetch, water depth, and percentage cover of submerged aquatic vegetation. The presence probability of each species was spatially predicted for each season within Hamilton Harbour. Generally, species showed a spatial range expansion with greater presence probability in the fall and winter to include parts of the harbor further offshore, and a range contraction in the spring and summer toward the nearshore, sheltered areas, with summer having the most limited habitat availability. Greater habitat suitability was predicted in western Hamilton Harbour for the majority of species, whereas the east end was less suitable and may benefit from habitat restoration. These types of fish habitat models are highly flexible and can be used with a variety of data, not just telemetry, and should be considered as an additional tool for fish habitat and fisheries managers alike.
Profilicity and online safety legislation
Authors: KEENAN BERNARD
Published: August 2024

This article applies the concept of profilicity to the emergence of online harms legislation. Grounded in social systems theory, profilicity designates a mode of self‐presentation prevalent in social media environments, though discernible in the growing number of situations where personal identity is mediated via a profile intended to be publicly observed. Profilicity is distinctly different to ‘sincere’ and ‘authentic’ modes of self‐presentation, though they survive alongside it. The concept productively reframes what is at stake in the regulation of ‘harmful’ content on platform‐based communications, exemplified in the Online Safety Act 2023, which is subject to extensive criticism for invading privacy and mandating the censorship of lawful speech – values that evolved in relation to authenticity and autonomy. Profilicity engages law first via the identity techniques that law presupposes and second via the design decisions that it now regulates.
Surgical protocols for oral leukoplakia and precancerous lesions across three different anatomic sites
Authors: Pedroso Caique Mariano , do Santos Erison Santana , Alves Fábio Abreu , Martins Manoela Domingues , Kowalski Luiz Paulo , Lopes Marcio Ajudarte , Warnakulasuriya Saman , Villa Alessandro , Santos‐Silva Alan Roger
Published: August 2024

Objective

This systematic review and meta‐analysis aimed to compare the risk of recurrence and cancer progression after surgical treatment for oral potentially malignant disorders (OPMD) and precancerous lesions in different anatomical sites.

Materials and Methods

A comprehensive search was conducted in nine databases and grey literature. We included randomized controlled trials assessing surgical treatment efficacy for OPMD and precancerous lesions of cervical, vaginal, anal, and penile sites. Excision or ablation surgical treatments were considered.

Results

Overall, 12 studies met the eligibility criteria for oral leukoplakia (OL), proliferative verrucous leukoplakia, cervical intraepithelial neoplasia (CIN), vaginal intraepithelial neoplasia, and anal intraepithelial neoplasia (AIN). In qualitative analysis of surgical protocols, the lack of margin description impacts the clinical outcomes of OL and AIN, and the ablative protocols were heterogeneous in both OPMD and precancerous lesions. No significant difference in OL (risk ratio 0.82 [95% CI: 0.59–1.15]) and CIN (risk ratio 0.31 [95% CI: 0.09–1.09]) for recurrence was observed when cold‐knife was compared with ablative protocols. OL exhibited higher recurrence and cancer progression rates compared to CIN and AIN.

Conclusion

There is no difference in recurrence risk post‐surgical treatment for OL and CIN. Surgical protocols for oral leukoplakia and CIN/AIN lack standardized approaches.
The role of SEMG1 overexpression in OSCC tumorigenesis and its relation with metabolic molecules
Authors: Wang Jing , Zhong Nian‐Nian , Yi Jing‐Rui , Liu Xuan‐Hao , Wang Han‐Qi , Liu Bing , Man Qi‐Wen , Bu Lin‐Lin
Published: August 2024

Objectives

This study aimed to investigate the expression and biological significance of Semenogelin 1 (SEMG1), a member of the cancer‐testis antigen family, in oral squamous cell carcinoma (OSCC). Further, we explored its potential association with metabolism‐related molecules.

Methods

SEMG1 expression levels in OSCC were determined through immunohistochemistry, flow cytometry, and Western blot analyses. To decipher the biological implications of SEMG1 in OSCC, the CAL27 OSCC cell line was either stably overexpressed with SEMG1 or subjected to SEMG1‐shRNA knockdown. The relationship between clinicopathological parameters and SEMG1 expression in OSCC patients was also assessed.

Results

SEMG1 was found to be overexpressed in OSCC, though its expression was not influenced by the pathological grade. The fluorescent dihydroethidium assay indicated that SEMG1 augmented reactive oxygen species production. The mitochondrial membrane potential assay suggested a significant upregulation of mitochondrial membrane potential by SEMG1. Cell cycle assessments highlighted that SEMG1 overexpression led to a notable rise in cells entering the S‐phase. Additionally, a strong correlation between SEMG1 expression and both ENO1 and PKM2 expression in OSCC was observed.

Conclusions

The findings underscore the elevated expression of SEMG1 in OSCC and its contributory role in the tumorigenesis of OSCC patients.
Schlieren Image Velocimetry and Modal Decomposition Study of Preheated Isothermal Flow From a Generic Multi-Swirl Burner
Authors: Vishnoi Neha , Saurabh Aditya , Kabiraj Lipika
Published: August 2024

This study presents an experimental investigation into the turbulent flow characteristics of an unconfined counter-rotating dual swirl burner under external acoustic excitation. Utilizing Schlieren image velocimetry (SIV), we capture the velocity field of the swirling jets. Mean velocity field analysis reveals the upstream propagation of the central recirculation zone within the burner passages. Through proper orthogonal decomposition (POD) analysis on instantaneous axial velocity fields, coherent structures are identified and the impact of different actuation methods on spatial modes is illustrated. Spatial modes of the unforced (natural) flow show the presence of a single and double helical precessing vortex core (PVC) modes at St = 0.53. Low-frequency acoustic actuation (St = 0.46) effectively suppresses the PVC mode, while high-frequency (St = 2) actuation stabilizes it. Broadband excitation of the flow field, however, induces the excitation of both single and double helical PVC modes.
Effects of athermal carrier injection on Co-60 gamma-ray damage in SiC merged-PiN Schottky diodes
Authors: Li Jian-Sian , Chiang Chao-Ching , Wan Hsiao-Hsuan , Stepanoff Sergei P. , Ren Fan , Haque Aman , Wolfe Douglas , Pearton S. J.
Published: August 2024

Co-60 gamma irradiation of SiC merged-PiN Schottky (MPS) diodes up to fluences of 1 Mrad (Si) produces increases in both forward and reverse current, with less damage when the devices are biased during irradiation. Subsequent injection of minority carriers by forward biasing at 300 K can partially produce some damage recovery, but at high forward biases also can lead to further degradation of the devices, even in the absence of radiation damage. Recombination-enhanced annealing by carrier injection overall is not an effective technique for recovering gamma-induced damage in SiC MPS diodes, especially when compared to other near athermal methods like electron wind force annealing.
Supplemental Material: Continental rift evolution and drainage reorganization along the Dead Sea rift since the Miocene
Authors: Matmon A. , et al.
Published: August 2024

Table S1: Physical and cosmogenic isotope data for Arava Formation sediment samples. Figure S1: Cosmogenic isotope burial plots for Arava Formation sediment samples considering isotope production at depth by muons at present depth.
Transient fourth nerve palsy preceding cervical myelopathy due to carotid-cavernous fistula
Authors: Viola Veronica , Faini Claudia , Bortolotti Carlo , Guarino Maria , Cirillo Luigi , Rinaldi Rita
Published: August 2024

Carotid-cavernous fistulas (CCFs) are rare intracranial vascular malformations. Among the various classifications available, the most recently proposed highlights the strong correlation between venous drainage pattern and clinical presentation. We present the case of a woman in her 70s with a history of transient palsy of the fourth cranial nerve who presented with subacute cervical myelopathy, which was caused by a CCF with venous drainage into the peribulbar and perimedullary plexus.

Given this atypical presentation of CCF and the diagnostic challenges it poses, we conducted a comprehensive PubMed search looking for CCFs presenting with cervical myelopathy and our results confirmed their rarity and allowed us to identify clinical elements that may help clinicians diagnose and manage this potentially treatable condition.
Yellow nail syndrome in anti-SSA and anti-SSB positive primary Sjögren’s syndrome
Authors: D'Adamo Laura Jayne , Oh Yumi , Young Laurel
Published: August 2024

Yellow nail syndrome (YNS) is a rare, acquired condition, characterised by at least two of the three clinical criteria: nail changes, respiratory tract disease and lymphoedema. Currently, the aetiology of YNS remains unknown; however, it is believed to be caused by impaired lymphatic drainage. Currently, there remain no definitive treatment options available and no prospective trials evaluating this. Management includes supportive care and symptomatic treatment. The presence of YNS has been described alongside various conditions, including autoimmune diseases, malignancies and drug exposures. To strengthen the literature on this topic, we present the case of a female patient with a history of anti-SSA and anti-SSB positive primary Sjögren’s syndrome, who developed YNS in the immediate postpartum period.
Prognostic value of cardiopulmonary exercise test in children with congenital heart defects
Authors: Terol Covadonga , Hagen Juliette , Rammeloo Lukas , Kuipers Irene M , Blom Nicolaas A , ten Harkel Arend DJ
Published: August 2024

Background

Cardiopulmonary exercise testing (CPET) has an important prognostic value in adults with different congenital heart defects (CHDs) and is a useful tool for risk stratification and clinical decision-making. In this retrospective study, we studied the prognostic value of CPET in paediatric patients with CHD.

Methods

411 CPET performed by paediatric patients with different CHDs were evaluated in this retrospective study. Medical records were reviewed to determine the presence of cardiac events. Participants were classified using the 2018 AHA/ACC guideline for the management of adults with CHD that combines anatomical complexity and current physiological stage.

Results

411 patients with a median age at test of 12 years, 51 patients with simple CHD, 170 patients with moderate complexity CHD and 190 with high complexity CHD underwent CPET. Overall, CPET parameters were lower than the reference values (%predicted VO2peak=75% and %predicted oxygen uptake efficiency slope (OUES)=79%), showing worst exercise capacity in the most complex types of CHD (Group III: %predicted VO2peak=72% and %predicted OUES=75%). Seventy-one patients presented with cardiac events at a median time from CPET to first event of 28 months. Patients with cardiac events had lower exercise performance as compared with patients without cardiac events as determined by the submaximal variables (%predicted OUES: HR=2.6 (1.5–4.4), p<0.001 and VE/VCO2: HR=2.2 (1.4–3.5), p=0.001).

Conclusion

Reduced exercise capacity at young age is related to a higher probability of future cardiovascular events in paediatric patients with CHD. Submaximal exercise variables can be used instead when maximal exercise cannot be achieved.
Design of Power Outage Monitoring and Warning System Based on Internet of Things
Authors: Li Yingjie , Gao Shangfei , Li Yanfei , Gao Yating
Published: August 2024

With the rapid development of distribution network and the high popularity of distributed generation, the research on risk assessment of distribution network is accelerated. When quantifying the degree of harm caused by abnormal situations, it is necessary to consider the severity of the harm and the impact on society to measure the severity of power failure and reduce the loss caused by power risk. To provide data support for the fine perception of the situation and its development trend, the monitoring system constructed by the power microservice further improves the ability and accuracy of sudden fault prediction. In this paper, through the monitoring system information to explore the transmission line fault early warning, the data analysis model is established. The particle swarm optimization algorithm and BP neural network are used to build the early warning model to predict the potential fault situation and cause analysis of the power grid under various indicators in a certain period in the future, which is to provide more scientific and reasonable risk management and control for the power grid. Through the statistical analysis of all kinds of information data collected by the power microservice, a power monitoring system based on early warning of power outage risk is established to enhance the operation adaptability of the power grid system under uncertain conditions and prevent the occurrence of tripping blackouts so that this study has an important function of intelligent decision-making. The experimental results show the feasibility and high efficiency of this study. The comparison of algorithm results shows that the performance of this method is improved by more than 10%. The stability is improved by 17%. The response time to various situations is shortened by 32% to judge the abnormal operation state of the power grid more efficiently. It can make emergency preparations in time, reduce the damage caused by accidents to the power grid and provide practical tools for the power grid to further enhance the disaster prevention ability of transmission equipment and effectively resist risk events.
Optimization Analysis of Chinese Language Teaching Curriculum Strategies under the Constraint of Parallel Network Behavior
Authors: Wu Xin
Published: August 2024

In the era of informatization, the rapid development of network technology has brought unprecedented changes to the field of education. Especially in the field of Chinese language teaching, the introduction of network technology not only enriches teaching methods, but also greatly expands students’ learning perspectives. However, the openness and diversity of the online environment have also brought many challenges to Chinese language teaching. How to optimize Chinese language teaching curriculum strategies under the constraints of parallel network behavior has become an urgent problem to be solved in the current education field. Traditional evaluation methods often focus on the level of knowledge mastery of students, while neglecting their learning behavior and abilities in the online environment. Therefore, we need to establish a diversified evaluation system that includes students’ internet behavior, information literacy, innovation ability and other aspects in the evaluation scope, in order to comprehensively reflect their language literacy and learning level. This paper proposes a series of innovative and optimized strategies for Chinese language teaching courses in the online environment, including promoting the “reverse classroom” teaching mode, utilizing online resources for situational teaching, stimulating students’ learning interest through online interactive platforms and establishing an effective teaching evaluation and feedback mechanism.
Information entropy in spin–orbit coupled dipolar condensates with magnetic field
Authors: Zhao Qiang
Published: August 2024

In this paper, we study the formation of Shannon information entropy in spin–orbit coupled (SOC) spin-1 antiferromagnetic dipolar Bose–Einstein condensates with external magnetic field. Our results show that, in the absence of magnetic field and with an increase in dipole–dipole interaction (DDI), information entropy in position space [Formula: see text] and momentum space [Formula: see text] remains almost unchanged and increases, respectively. Meanwhile, the order parameter [Formula: see text] decreases, which implies that the system develops toward a disorder state. With the increase of SOC strength, [Formula: see text], [Formula: see text] and [Formula: see text] show similar dynamics behavior. Whereas, in the presence of magnetic field, [Formula: see text] and [Formula: see text] are localized in the small scope by increasing the dipole and SOC strength. In addition, the value of [Formula: see text] is nearly the same in this process. These results embody that the introduction of external magnetic field suppresses the role of SOC and DDI, and impedes the condensates towards disorder state. At last, the influence of geometric structure and atom number on information entropy is investigated. It is seen that a narrower trap and fewer atom number make [Formula: see text] decrease and [Formula: see text] increase.
The effect of pressure on the structural, optoelectronic and mechanical conduct of the XZnF3 (X= Na, K and Rb) perovskite: First-principles study
Authors: Miri Mohammed , Ziat Younes , Belkhanchi Hamza , El Kadi Youssef Ait
Published: August 2024

By using the DFT approach within the generalized gradient approximation (GGA) adopted in the Wien2k code, the effects of pressure on the structural, electrical and optical characteristics of XZnF3 ([Formula: see text] Na, K and Rb) halide perovskites have been investigated. In the present paper, the unit cell structures of XZnF3 ([Formula: see text] Na, K and Rb) have been optimized. Within the present approximation, the analysis showed indirect bandgaps of those compounds. At 0[Formula: see text]GPa, the density of states (DOS) besides band structures predicted the bandgaps of (2.80, 3.84 and 4.22[Formula: see text]eV) connected to (NaZnF3, KZnF3 and RbZnF[Formula: see text], respectively. These indirect bandgaps increase from (0 to 20[Formula: see text]GPa) with hydrostatic pressure. Regarding the optical properties, the imaginary part [Formula: see text] of the dielectric function, the absorption [Formula: see text], the reflectivity [Formula: see text] and the refractive index [Formula: see text] are determined. The light absorption at the surface begins at critical points corresponding to the threshold energy, their values of (5.00, 5.20 and 5.30[Formula: see text]eV at 0[Formula: see text]GPa) and (5.90, 6.30 and 6.50[Formula: see text]eV at 20[Formula: see text]GPa) related to NaZnF3, KZnF3 and RbZnF3, respectively. The pressure induced in XZnF3 ([Formula: see text] Na, K and Rb) reduces absorption intensity to a remarkable extent, both in the visible and ultraviolet range and the intensity of the reflectivity spectra decreases with increasing pressure. When there is no induced pressure, optical conductivity starts out with lower photon energies and increases as pressure builds up, reaching greater photon energies at pressures of up to 20[Formula: see text]GPa. The mechanical stability of the material studied is verified using the Born stability criteria, the values obtained for the elastic constants verify the stability conditions of XZnF[Formula: see text] Na, K and Rb), improving with applied pressure 0 up to 20[Formula: see text]GPa. NaZnF3 and KZnF3 have slightly higher ductility than RbZnF3 at 0[Formula: see text]GPa, and KZnF3 has a slightly higher ductility than NaZnF3 at 0[Formula: see text]GPa, and higher than RbZnF3 at 20[Formula: see text]GPa. Also, the mechanical stability is verified using the Born stability criteria, where the elastic constants verify the stability conditions. The Cauchy pressure value of XZnF3 ([Formula: see text] Na, K and Rb) perovskite under all the pressures studied is positive, indicating that the ductile nature of perovskite improves and increases with increasing pressure.
(Invited) Boosting Oxygen Evolution Reaction by Stabilization of Ultrasmall Ruthenium Nanoclusters on Thiol-Functionalized Metal-Organic Framework
Authors: Mishra Biswajit , Biswal Swayamprakash , Tripathi Bijay Prakash
Published: August 2024

Rational designing of efficient nanocatalysts plays a crucial role in catalyzing kinetically sluggish reactions like Oxygen Evolution Reaction (OER). However, the uncontrolled nucleation and growth of nanostructures poses major effectiveness and economic challenges in the implementation and commercialization of noble metal-based electrocatalysts. Functionalized Metal-Organic Frameworks (MOFs) have the properties to stabilize such unstable nanoclusters in extremely small sizes by compensating for their high surface energy and Ostwald’s ripening effect. Here, we have reported the synthesis of ultrasmall Ruthenium nanoclusters stabilized through thiol-functionalized Ni-MOF (Ru@Ni-M-SH). The stabilization of ruthenium under reduced conditions on the MOF surface was facilitated by the lower electronegativity and increased orbital overlapping effect of sulfur, resulting in an average size of 1.5 nm. A perturbed electronic structure confirmed from XPS as well as XAS studies revealed the fundamental understanding behind electronic redistribution. Backed with such a favorable electronic structure, the catalytic OER activity for Ru@Ni-M-SH outperformed the state-of-the-art RuO2 with three times higher current density (242 mA/cm2) and 143 mV reduced overpotential. With 95% Faradaic efficiency, the Turnover Frequency (TOF) and Mass activity of Ru@Ni-M-SH were found to be several orders higher as compared to RuO2. Unlike other Ru-based catalysts, Ru@Ni-M-SH showed extremely high stability with over 24 h of chronoamperometry study. With thorough in-situ analysis providing information regarding catalytically active sites and intermediates, Ru@Ni-M-SH established itself as an economically sustainable OER electrocatalyst.
Synergistic Electrocatalyst-Cathode Architecture for Stable Long-Term Cycling Lithium-Sulfur Batteries
Authors: Nazir Aqsa , Pathak Anil , Hamal Dambar , Motevalian Saeme , Awadallah Osama , Drozd Vadym , El-Zahab Bilal
Published: August 2024

Lithium-sulfur (Li-S) batteries are a promising candidate for next-generation energy storage owing to the high theoretical capacity of sulfur (1,675 mAh g−1). However, the intrinsically low electrical conductivity of sulfur and complex multistep electrolyte-mediated redox reactions involving soluble lithium polysulfide intermediates engender critical challenges toward practical realization. Specifically, migration and diffusion of higher-order lithium polysulfides provokes continuous loss of active sulfur species, yielding premature capacity fade. Electrochemical kinetics also remain sluggish due to the insulating nature of sulfur cathodes, which require engineering designs to accelerate charge transfer.

Rational morphological and compositional cathode tuning represents a compelling strategy for addressing fundamental Li-S limitations. Herein, we develop an extended cathode architecture composed of a porous carbon nanotube network decorated with homogenously dispersed nanocatalysts. Electron microscopy and spectroscopy analysis verify platinum group metals are well-incorporated both within internal channels and external surface sites of conductive carbon nanotubes. The composite framework affords multifaceted functionality arising from synergistic chemical and structural attributes of components. Nanocatalyst sites demonstrate a pronounced chemical affinity toward soluble polysulfide intermediates, effectively localizing them within cathode, minimizing diffusional losses toward the anode. This anchoring phenomenon is complemented by the inherent microporosity of the high-surface-area nanotube network, further obstructing polysulfide migration through a confinement effects. Concurrently, noble metal nanoparticles facilitate the redox conversion of trapped higher-order polysulfides into solid Li2S alleviating the precipitation of electrically insulating discharge products. The excellent electrical conductivity of CNTs ensures efficient charge transport to all incorporated sulfur active materials, further maximizing reversible utilization.

As a result of complementary polysulfide confinement and electrocatalytic conversion functionalities, Li-S coin cells exhibit enhanced reversible capacities exceeding 900 mAh g−1 for over 500 cycles at 0.558 A g−1. Notably, over 500 cycles, minimal capacity decay of 0.018% per cycle and 92% retention of the initial capacity are obtained at moderate sulfur loadings highlighting the exceptional cycling stability enabled by engineered cathodes. Outstanding rate performance is also demonstrated with the delivery of 854 mAh g−1 capacity at a very high current density of 1.675 A g−1. Our rationally designed cathode architecture provides critical mechanistic insight toward addressing fundamental bottlenecks to progress Li-S technologies.
ALD with Enhanced Nucleation on Polymeric Separator for Improved Li-S Batteries
Authors: D'Acunto Giulio , Shuchi Sanzeeda Baig , Zheng Xueli , Cui Yi , Bent Stacey F.
Published: August 2024

Lithium-sulfur (Li-S) batteries, known for their exceptional energy densities, are at the forefront of the next generation of energy storage systems. However, their practical application is hindered by the polysulfide shuttle effect, which significantly impairs discharge capacity and cycling stability. This research introduces a novel solution to these challenges through the use of atomic layer deposition (ALD) of Al₂O₃ on commercial polypropylene/polyethylene/polypropylene (PP/PE/PP) separators.

ALD is a thin-film deposition technique that allows for precise control of layer thickness and composition at the atomic scale. ALD is characterized by its ability to produce extremely uniform and conformal layers, making it an ideal method for applications where surface chemistry plays a critical role, such as in battery separators. The technique is particularly advantageous in applications requiring high precision and control, like in our approach to enhancing Li-S batteries.

In our study, the inert separator was treated with UV ozone to enhance the nucleation of ALD precursors, with the goal of reducing polysulfide shuttling. The use of ALD-modified separators in batteries demonstrated a marked increase in specific capacity, reaching approximately 1150 mAh/g, and reduced overpotential, indicative of improved kinetic efficiency. Further, we explored the structural and chemical modifications of the separator, employing X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). Our findings indicate that ALD of Al₂O₃ on the separators significantly improved the adsorption of polysulfides, thereby mitigating the shuttle effect.

In addition to improved polysulfide interaction, we also examined the impact on polysulfide adsorption on the formation of the solid-electrolyte interphase (SEI). Our results showed that modified batteries exhibited no polysulfide presence on the anode, suggesting a stable and effective SEI. This observation is significant, as it indicates that our approach enhances specific capacity and cycling stability by controlling the formation of a more effective SEI.

Overall, our research demonstrates how strategic modifications at the separator level, particularly through the application of ALD and UV ozone, can significantly enhance the overall performance of Li-S batteries. By leveraging the unique advantages of ALD, especially through Al₂O₃ deposition, we provide a viable pathway to enhance the efficiency and stability of Li-S batteries.
Sodium Halide-Based Solid Electrolyte with High Ionic Conductivity
Authors: Tan Yuan , Su Laisuo
Published: August 2024

Sodium-ion batteries (SIBs) are considered one of the most prominent alternatives to lithium-ion batteries (LIBs) because of the abundance of sodium resources on Earth. However, compared to Li, Na has a heavier atomic weight (23 g mol–1 vs. 6.9 g mol–1) and higher standard potential, leading to lower volumetric and gravimetric energy density of SIBs than LIBs. The energy density of state-of-the-art room-temperature SIBs is in the range of 75 – 165 W h kg–1 or 250 – 375 W h L–1. To increase the energy density of SIBs, Na metal is proposed to be used as the anode material due to its superior theoretical specific capacity (1166 mA h g–1). To tackle the safety challenges brought by using Na metal, applying solid electrolytes (SEs) has been proposed to be an effective strategy. Despite the tremendous progress that has been made in the past decades, the progress and application are still in the infancy, experiencing numerous challenges for sodium solid-state batteries due to inherently low room-temperature ionic conductivity, interface complications, and fabrication.

Inorganic halide-based SEs have emerged as a game changer because of their fast-conducting characteristics, adequate thermodynamic stability, great deformability, and good oxidative stability.1 Moreover, halide-based SEs are generally stable against moisture owing to their positive hydrolysis reaction energy. However, most of the studied halide-based SEs are based on the Li-ion system, with only a few based on the Na-ion system. Moreover, despite halide-based Na SEs theoretically having high ionic conductivity,2 experimental obtained samples have much lower ionic conductivities compared to their Li counterparts (usually < 0.1 mS cm–1). Therefore, developing halide-based SEs with high Na+ ionic conductivity is crucial for Na ASSBs. We recently identified a new Na halide-based SE with a room temperature Na+ ionic conductivity over 1 mS cm–1. The activation energy is also as low as 0.23 eV. Interestingly, the material shows a mixed amorphous and crystalline phase, and its ionic conductivity decreases with the increase of the crystalline phase. The ionic conductivity of > 1 mS cm–1 is already comparable to some organic liquid electrolytes and thus is sufficient for many practical applications. The developed strategy has the potential to be applied to other halide-based SEs to improve their ionic conductivity, promoting the development of SIBs.

(1) Huang, J.; Wu, K.; Xu, G.; Wu, M.; Dou, S.; Wu, C. Recent Progress and Strategic Perspectives of Inorganic Solid Electrolytes: Fundamentals, Modifications, and Applications in Sodium Metal Batteries. Chem. Soc. Rev.
2023, 52 (15), 4933–4995.

(2) Qie, Y.; Wang, S.; Fu, S.; Xie, H.; Sun, Q.; Jena, P. Yttrium–Sodium Halides as Promising Solid-State Electrolytes with High Ionic Conductivity and Stability for Na-Ion Batteries. J. Phys. Chem. Lett.
2020, 11 (9), 3376–3383.
Elucidating the Mechanism of Solid-Electrolyte Interphase Formation in Hybrid Aqueous Zn-Ion Batteries
Authors: Scida Alexis , Ji Xiulei , Osborn-Popp Tom
Published: August 2024

The formation of a favorable solid-electrolyte interphase (SEI) is essential to the reversible performance of zinc metal anodes in aqueous solutions. Thus far, it has been well agreed that the interphase layer should be passivating, ionically conductive, electronically insulating, and ideally self-repairable. When comprised of both organic and inorganic components, an SEI can effectively prevent hydrogen evolution reaction (HER) and corrosion on the metal surface, resulting in increased Coulombic efficiency and overall longevity. Here, we report the use of in-depth spectroscopic and electrochemical techniques to understand the unique solvation and decomposition of dimethyl carbonate (DMC) in high concentrated zinc water-in-salt electrolyte. Nuclear Magnetic Resonance (NMR) of both the liquid and solid states reveal an unusual dual reaction pathway that allows for the formation of a hybrid organic/inorganic SEI capable of achieving unprecedented capacity retention for zinc metal batteries.
Text Mining Analysis of Beyond Lithium-Ion Batteries
Authors: Kilic Aysegul , Oral Burcu , Eroglu Damla , Yildirim Ramazan
Published: August 2024

Li-ion batteries (LIBs) are the most commonly used energy storage technology in various consumer goods, including electric vehicles. However, several alternatives, so-called beyond-LIBs, are greatly investigated to decrease battery costs using abundant and globally distributed materials with high theoretical capacities. Among the diverse beyond LIB systems, this paper includes the top 6 researched chemistries: univalent (Na- and K-) and multivalent (Zn-) metal-ion, metal-air (Li-air and Zn-air), and Li-S batteries. Naturally, all these six battery chemistries have problems that must be addressed before mass commercialization. Although there are 24,523 publications on these batteries, a parallel examination of these technologies to transfer knowledge must be included in the literature. This study used text mining analysis to study the most common keywords and word connections for beyond-LIBs to learn from the general trends in the literature [1].

First, the dataset was built using the Web of Science database in June 2023 by applying all the possible alternative names of beyond LIBs in the search with the Title option. Hence, the abstracts, author keywords, and keywords plus for each battery chemistry were obtained together with the article information. Afterward, data cleaning and text mining analysis were performed using the R Studio environment, specifically stringr, tm, pluralize, and tidytext libraries. The research interests in the primary battery parts and the single material-related words and two-word bigrams were investigated.

The bibliometric analysis has shown that Li-S and Na-ion batteries are the most popular research areas in the beyond LIB literature. On the other hand, interestingly, Li-air batteries lost their popularity to Zn-air in around 2015. Publications on Zn-ion batteries have a sharp increasing trend, and K-ion batteries have started to share this research interest. When the single-word results are analyzed, it has been seen that anode, cathode, and electrolyte are the most commonly studied battery sections for Na- and K-ion, Zn-ion and Li-S, and finally, Zn- and Li-air batteries, respectively. Apart from the battery parts, regardless of the chemistry, the high frequency of carbon and graphene keywords are detected; hence, bigram analysis is further performed on these keywords to see the most associated words with these materials. It has been seen that carbon nanotubes are the first and nanofibers are the second preferred form of carbons, whereas the graphene oxides are found to be promising for all beyond LIBs, given only good results are reported in the literature.

References

[1] A. Kilic, B. Oral, D. Eroglu, R. Yildirim, Machine learning for beyond Li-ion batteries: Powering the research, Journal of Energy Storage. 73 (2023) 109057. https://doi.org/10.1016/j.est.2023.109057.

Figure 1
(Invited) Machine Learned Potential for Fullerenes Based on Continuous-Filter Convolutional Neural Network
Authors: Uhlik Filip
Published: August 2024

We trained a convolutional neural network (CNN) to quickly and accurately reproduce energies, forces and dipole moments calculated by density functional theory (DFT) for fullerenes ranging from C20 to C80. The obtained reproduction errors per atom are about 0.001 Hartree for energies, 0.0003 Hartree/Bohr for forces and 0.001 Debye for dipole moments. The speedup of calculations with respect to DFT/6-31G is about 105 (for CPU), when using graphics processing unit (GPU) about 106. The obtained machine learned potential (MLP) can be used, for example, for a fast screening of the most stable fullerene isomers.
(Invited) Functional Fluorous Nanocarbons
Authors: Boltalina Olga V.
Published: August 2024

Fluorination was one of the first hypothesized chemical reactions for a buckyball that could yield C60F60 with "superlubricant" properties. [1] This promise, however, has not come to fruition due to propensity of fluorofullerenes for hydrolysis. Research of fluorination of fullerenes has contributed to the basic understanding of chemical reactivity of nanocarbons, especially, in radical reactions. Overall, there are more fluorinated fullerenes than any other halogenated or hydrogenated fullerenes. Small size of F atom, its high reactivity, relative strength of C-F bond compared to C-Hal or C-H bonds, and relative thermal and environmental stability are among the major reasons of the existence of large libraries of well-characterized fluorinated fullerenes.[2] The latter include not only products of direct addition of F atoms to C(C60) atoms, i.e., C60F2n, but also numerous derivatives with fluorine-containing moieties, i.e., C60(RF)n.[3]

Exploration of applications of various classes of fluorinated fullerene materials in organic optoelectronics and biomedical research that was carried out by the CSU group and collaborators in the past decade will be critically overviewed by the author.

Partial support from NSF (CHE-2153922) is acknowledged.

1. H.W. Kroto, J.R. Heath, S.C. O’Brien, R.F. Curl and R.E. Smalley, Nature 318 (1985) 162.

2. O.V. Boltalina and S.H. Strauss (2014) Fluorofullerenes. In Dekker Encyclopedia of Nanosci. and Nanotech., CRC Press, Seven Volume Set, 1436.

3. O. V. Boltalina, A. A. Popov, I. V. Kuvychko, N. B. Shustova, S. H. Strauss, Chem. Rev. (2015) 115, 1051.