bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electronic Properties of [Ru(NH3)6][M(CN)6] Double-Complex Crystals and Their Thermal Decomposition to Prussian Blue Analogs
Authors: Robinson Donald "Donny" A , Talin Albert Alec , Shivanna Mohana , Sagar Srikrishna , Ferguson Andrew J , Smeaton Michelle A , Wheeler Lance M , Jungjohann Katherine L , Ghotbi Maryam , Babuena Perla B 
Published: August 2024

The complex ions, [Ru(NH3)6]2+/3+ and [Fe(CN)6]3-/4-, are well known redox couples exhibiting fast interfacial and homogeneous electron transfer rates in aqueous solution. Here we show that when mixed together, they form insoluble double-complex Ax[Ru(NH3)6][Fe(CN)6] crystals with rhombohedral symmetry, where A is a cationic species and 0≤x≤2. The analogous interactions of [Ru(NH3)6]2+/3+ with [Ru(CN)6]3-/4- produces Ax[Ru(NH3)6][Fe(CN)6] crystals. Electrical measurements of these single crystals exhibit ohmic current-voltage responses, with corresponding conductivities on the order of 0.1 mS/m. We propose a solid-state charge transport mechanism based on Marcus theory for homogeneous outer-sphere electron transfer.
Thermal decomposition at mild temperatures removes ammine ligands and transforms these crystals into nanopolycrystalline Prussian blue analogs (PBAs) that retain the macroscopic geometry of the double-complex crystals but adopt the familiar highly defected porous crystal structure and intervalence charge transfer characteristics of PBAs.
Morphology Controled LiFePO4 Electrodes Via Polyol Refluxing for Enhanced Lithium-Ion Battery Performance
Authors: Seo Sehong , Jeong Wangchae , Kim Jaekook 
Published: August 2024

In the synthesis of LiFePO4 cathodes with secondary nanorod structures and nano-plate morphologies, researchers utilized a polyol refluxing process. Notably, we achieved this without the use of characteristic structure directing agents. Through varying the reaction time, they were able to modulate the morphological characteristics of the synthesized samples.
X-ray diffraction studies conducted on the prepared samples indicated a highly crystalline nature. This suggests that the synthesized cathodes possessed a robust and ordered atomic structure, which is crucial for their electrochemical performance.
Electron microscopy investigations provided insights into the morphology of the samples obtained at different reaction times. Samples produced after 1 to 16 hours of polyol reaction exhibited secondary nanorod bundles. However, the sample recovered after 32 hours of polyol reaction displayed a distinct nano-plate morphology. These observations highlight the influence of reaction time on the final morphology of the synthesized cathodes.
The dimensions of the obtained samples ranged from a few tens to a few hundred nanometers. This nano-scale size is advantageous for enhancing the electrode's surface area, which can facilitate rapid ion diffusion and electron transport during battery cycling.
When employed in lithium test cells, the LiFePO4 cathodes synthesized for different durations delivered varying discharge capacities. Specifically, cathodes prepared under 1, 4, 8, 16, and 32 hours of reaction time exhibited discharge capacities of 161, 162, 171, 143, and 155 mAhg−1, respectively. Notably, all samples displayed a well-defined discharge plateau at 3.4 V, indicating stable electrochemical behavior during cycling.
Remarkably, among the prepared electrodes, the LiFePO4 nanorod bundle cathode synthesized under 1 hour reaction time demonstrated the highest average reversible capacities. It maintained capacities of 123 and 103 mAhg−1 at C-rates as high as 3.2 and 6.4 C, respectively. This highlights the importance of reaction time in controlling the electrochemical performance of the synthesized cathodes.
The crystal growth mechanism during the polyol refluxing method can be elucidated through several stages. These include precursor dissolution and nucleation, oriented crystal growth and alignment through self-assembly, aggregation, partial dissolution, and finally, complete re-crystallization. Understanding these mechanisms is essential for optimizing the synthesis process and tailoring the properties of LiFePO4 cathodes for various applications.

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Figure 1
Probing the Activity and Selectivity of Nickel Carboxylethylphosphonate 2D-MOF for the Electrochemical Conversion of CO2 to Syngas
Authors: Mahmud Musa Muhammad , Ogunbanjo Oriyomi Olalekan 
Published: August 2024

The increasing concentration of CO2 in the atmosphere is alarming for modern society and the reduction of CO2 into valuable products would be a unique solution.1 Metal–organic frameworks (MOFs), constructed from organic linkers interconnected with metal (oxide) nodes, with high porosity and large surface area, have become an emerging class of electrocatalysts for reduction of CO2.2,3 Herein, we report the synthesis and characterization of a two-dimensional nickel metal-organic framework (2D Ni-MOF) with 3-phosphopropionic acid and 4,4-bypyridine as ligands and Ni2+ as the node (figure 1). The electrocatalytic activity of this material is explored for the electrochemical CO2 reduction reaction (CO2RR). An onset potential for the electrochemical reduction CO2 activity of -0.51 V vs RHE was observed which is 70 mV more positive than the HER in Ar-saturated electrolyte suggesting an efficient CO2 reduction. This catalyst showed a high current density of 33.5 mA cm-2 at 1.01 V vs RHE, exhibiting superior performance to most of the MOFs tested so far for CO2 reduction (figure 2a and b). Long term electrolysis at -0.8 V (vs RHE) yielded a current density of ∼10 mA cm-2 with high selectivity towards the formation of CO and H2 with an average production ratio of 30:70%, respectively (figure 2c and d). This new Ni-MOF catalyst retained its crystallinity and morphology after electrolysis as confirmed by powder XRD, HRTEM, FT-IR and Raman spectroscopy, indicating promising stability of the catalyst.
Density functional theory (DFT) was employed to calculate adsorption-free energy of the reaction intermediates to identify the active catalytic sites responsible for CO2 reduction in our 2D Ni-MOF structure. Findings show that the catalyst more readily reduces H* to H2 (with a limiting potential of 0.48 eV) than CO2 to COOH* (limiting potential of 0.78 eV). The reaction mechanism upon which this calculation was based begins with the removal of the H2O molecule bound to the Ni (II) site, followed by CO2 adsorption and the two proton-coupled electron transfer steps yielded COOH* and then CO & H2O. The H2O is more strongly adsorbed to the Ni (II) site than CO which closes the mechanistic cycle.

Reference

1. M. J. B. Kabeyi and O. A. Olanrewaju, Frontiers in Energy Research, 2022, 9.
2. B.-X. Dong, S.-L. Qian, F.-Y. Bu, Y.-C. Wu, L.-G. Feng, Y.-L. Teng, W.-L. Liu and Z.-W. Li, ACS Applied Energy Materials, 2018, 1, 4662-4669.
3. J.-X. Wu, S.-Z. Hou, X.-D. Zhang, M. Xu, H.-F. Yang, P.-S. Cao and Z.-Y. Gu, Chemical Science, 2019, 10, 2199-2205.

Figure 1
Novel Graphene-Based Reversible Physisorption Materials for High Hydrogen Uptake
Authors: Banerjee Arghya Narayan Narayan , Joo Sang W. 
Published: August 2024

Carbon-based nanomaterials (graphene, carbon nanotube, microporous carbon, graphitic carbon etc.) are excellent H2 storage materials due to high molecular H2 uptake at the micropores and large H2 adsorption at the graphene network via the formation of dipoles in H2 molecules through London dispersion forces. On the other hand, incorporation of transition metal nanoparticles within the nanocarbon network facilitates dissociation of H2 molecules into constituents H-atoms over the metal nanoparticles, followed by diffusion into the carbon nano-matrix via ‘spill-over’ effect for polarization/hybridization of metal-hydrogen to create high H2 binding energy for high hydrogen adsorption. Therefore, a nanocomposite of graphene-microporous carbon-metal nanoparticle network is expected to deliver excellent H2 uptake capacity and acts as a novel reversible physisorption material for hydrogen storage applications, which is very important for sustainable renewable energy integration.
A simple, cost effective sputtering method is used to fabricate metal incorporated graphitic microporous carbon film and differential resistance measurement showed high H2 uptake. Average number of graphene layer formation is dependent on sputtering parameters, which manifest bi-to-multilayer graphene. With increase in graphene layers, H2 adsorption also increases due to a fourfold effect: higher molecular hydrogen uptake at the graphene layers, more active sites into the micropores, promotion of molecular dissociation into atomic hydrogen by the metal nanoparticles, and the formation of hydrogenated carbon via destruction of the π-bonds.
(Invited) New Analytical Method of Near-Field Spectroscopy – hBN Polaritons in Heteronanotubes
Authors: Rotkin Slava V. 
Published: August 2024

Near-field spectroscopy is a promising approach for materials nanocharacterization, with a hope to reach beyond trivial materials’ imaging with a high spatial resolution. In a typical method, one uses the spectral modulation of the image spatial scales, determined from such a set of features of near-field scanning maps as a wave pattern or clear wave reflections (if not merely taking the spectral modulation of the image intensity). Applicability of these methods is rather limited and more sophisticated analytical technique would be desirable.
Most severe restriction of abovementioned spectral techniques happens when the material under study possesses spatial non-uniformities much smaller than the excitation wavelength. Then, the patterns are highly influenced by the wave diffraction and not reliable to detect spectral information (in other words, the wave patterns are distorted by interference and excitation localization, which prohibits determining intrinsic wave parameters as a function of excitation).
We have developed a new analytical technique which allows true sub-wavelength resolution, since the image domain required for the wave pattern analysis could be substantially smaller than a wavelength. The method has been used for studying hBN polaritons in heteronanotubes, the new material developed in Prof. Maruyama group at University of Tokyo.

Acknowledgement: This work has been partially supported by NSF DMR-2011839 (MRSEC) and DMR-2039351 (2DCC MIP).
Hybrid Model for Multistep-Ahead Rainfall Forecast in Northeast India: A Comparative Study
Authors: Shejule Priya Ashok , Pekkat Sreeja 
Published: August 2024

Abstract
Among all hydrometeorological parameters, rainfall strongly correlates with hydrometeorological disasters. The rainfall forecast process remains challenging due to the nonlinear, nonstationary nature and multiscale variability of rainfall. Moreover, the unique microclimate in different regions further complicates the forecasting process. This study proposes a hybrid model employing multivariate singular spectrum analysis (MSSA) and long short-term memory (LSTM) for multistep-ahead hourly rainfall forecasting in urban areas of northeast India. The model is trained and evaluated using high-resolution (12 km) hourly meteorological data from the Indian Monsoon Data Assimilation and Analysis (IMDAA) dataset for Guwahati (plain) and Aizawl (hilly) regions from 2015 to 2019. The hybrid model outperforms the single LSTM model in both plain and hilly regions, with an average percentage gain of 47.99% and 43.88% for symmetric mean absolute percentage error (SMAPE) and root-mean-square error (RMSE) in the case of the Guwahati dataset and 84.59% and 82.27% in the case of the Aizawl dataset, respectively. The performance of the LSTM model significantly improves as the zero values in the observed data are eliminated after reconstruction by MSSA. This enables the model to discern essential patterns and relationships in the data, which leads to more accurate forecasts. However, the hybrid model underestimates the rainfall, which can be tackled by hypertuning the parameters. The study highlights the importance of considering the interplay between rainfall and meteorological parameters for accurate rainfall forecasting in urban areas. The proposed MSSA–LSTM model can be used as a decision support tool for urban planning and disaster management.

Significance Statement
This study addresses a critical need in multistep-ahead hourly rainfall forecasting in urban areas, with a focus on the unique conditions of northeast India. Our research has identified the presence of red noise in the rainfall data, shedding light on the complexities of the underlying rainfall patterns. Furthermore, we delve into the intricate interplay between rainfall and meteorological parameters, providing valuable insights into the factors influencing rainfall dynamics. Notably, our study underscores the region-specific challenges in rainfall forecasting. While the hybrid model demonstrates reasonable accuracy in the plains, its performance in the hilly region falls short of expectations. This highlights the nuanced nature of rainfall prediction in areas with varying topography and emphasizes the need for tailored forecasting approaches.
Employment Among Women with Severe Mental Illness Availing Rural Community-based Rehabilitation Program: A Qualitative Study from South India
Authors: Meera J.  , Sivakumar Thanapal , Chandra Prabha S. , Kumar Devvarta , Shanivaram Reddy K.  
Published: August 2024

Background: Women in India are often disadvantaged in accessing education, employment, health services, and decision-making within families. This inequality is particularly pronounced among women with severe mental illness, especially those from rural areas. Methods: The study explored the employment status, facilitators, and barriers to employment among women with severe mental illness availing a rural community-based rehabilitation (CBR) program in Jagaluru, South India. Interviews were conducted with 15 women, their family caregivers, the CBR program social worker, and a community program coordinator of a nongovernmental organization partner. The study used a qualitative research design. Thematic analysis was used to identify emerging themes. Results: Ten women were employed. Among five unemployed women, two independently took care of household responsibilities, and one assisted the family. Medication compliance and the desire to earn money for oneself were significant facilitators. Employment opportunities for some women were hindered by poor bus connectivity in interior villages, patriarchal familial attitudes, and challenges in availing loans for livelihood ventures. Conclusion: Rural families access treatment for severe mental illness when it is available at the nearest government health facility. With symptom improvement, many women could avail themselves of local employment opportunities without additional inputs from the CBR team.
Evaluation of GFAP, S100B, and UCHL-1 Levels in Children With Refractory Epilepsy
Authors: Aksoy Halil Ural , Yılmaz Celil , Orak Sibgatullah Ali , Ayça Senem , Polat Muzaffer 
Published: August 2024

Introduction A number of biomarkers are used to evaluate the duration of the epileptic seizure and the interictal period following neuronal injury. Invasive diagnostic methods are increasingly being replaced by peripheral or minimally invasive biomarkers that give results faster and are more secure. Purpose We aimed to evaluate serum glial fibrillary acidic protein (GFAP), S100B, and ubiquitin C-terminal hydrolase (UCHL-1) levels in children with epilepsy. Methods Our study included 3 groups: a nonrefractory epilepsy group, a refractory epilepsy group, and a control group. The GFAP, S100B, and UCHL-1 levels in serum samples collected 2-24 hours after the last seizure were analyzed using enzyme-linked immunosorbent assays. Results A total of 69 children participated in the study, with 35 participants in the refractory epilepsy group, 18 in the nonrefractory epilepsy group, and 16 in the control group. The GFAP values in the refractory (25.4 ng/mL) and nonrefractory (26.1 ng/mL) epilepsy groups were found to be statistically significantly higher than those in the control group (17.9 ng/mL; P = .001). The S100B values were found to be significantly higher in the refractory epilepsy group (34.13 pg/mL) than in both the control group and the nonrefractory epilepsy group (28.05 pg/mL; P = .028). No significant differences were observed in the UCHL-1 levels between the 3 groups. Conclusions We conclude that the observed differences may be due to the increased expression of S100B and GFAP caused by increased and repetitive neuronal damage in refractory epilepsies compared with nonrefractory epilepsies.
Analysis of Ohio Advanced Practice Registered Nurses’ Rate of Prescribing Naltrexone for Patients With Alcohol Use Disorder Since Elimination of the X-Waiver
Authors: Wiggins Morgan , Smith Amy , Helsabeck Nathan 
Published: August 2024

Background: Alcohol use disorder (AUD) is common and deadly. Naltrexone is a treatment for AUD. Previous research examined factors that predict Ohio Advanced Practice Registered Nurses’ (APRNs) utilization of naltrexone to treat AUD. Inclusion criteria included APRNs’ endorsing receipt of the X-waiver, a designation indicating providers’ receipt of substance use disorder education. In 2023, the X-waiver was eliminated. The purpose of this study was to replicate the previous research design in respondents without an X-waiver and compare findings. Aims: The aims of this study were three-fold: (1) assess whether race, age, practice setting, years in practice, or work experience with an addiction specialist physician predicted prescription of naltrexone for AUD, (2) assess whether the goal of abstinence or reduced alcohol use as desired treatment affected the likelihood of naltrexone prescription for AUD, and (3) compare differences between the answers in the current respondent group without X-waiver and the previous study’s X-waivered respondents. Method: All Ohio APRNs were sent surveys. Eighty-eight responses were included in analysis. Descriptive statistics, logistic regression, and chi-square results were reported. Results: Work experience with an addiction specialist physician was negatively associated with prescribing naltrexone for AUD. Respondents from the previous study of X-waivered APRNs were significantly more likely to prescribe naltrexone for reduced alcohol consumption as a treatment outcome than the respondents in this study. Conclusion: The recent policy change eliminating the X-waiver provides important context for research, adding to the substance use disorder literature.
Demonstratives in heritage Greek, Russian, and Turkish in Germany and the United States
Authors: Martynova Maria , Özsoy Onur , Rizou Vasiliki , Szucsich Luka , Gagarina Natalia , Alexiadou Artemis 
Published: August 2024

Aims and Objectives: This study investigates the use of definite noun phrases involving demonstratives in adolescent and adult monolingually raised and heritage speakers of Greek, Russian, and Turkish with the following research questions: (1) Do heritage speakers of Greek, Russian, and Turkish align with monolingually raised speakers regarding the production of demonstratives? and (2) Do mode and register affect the use of demonstratives? Methodology: We conducted a corpus study on production data of heritage speakers of Greek, Russian, and Turkish residing in the United States and Germany and the respective monolingually raised speakers in Greece, Russia, and Turkey. The majority languages of the heritage speakers were German or English, respectively. Data were elicited in two distinct registers (formal vs informal) and in two distinct modes (spoken vs written). Participants were asked to narrate what happened in a short video showing a fictional minor car accident. Analysis: Oral and written narrations were annotated and analyzed using generalized linear mixed-effects regression modeling on the use of demonstratives by heritage and monolingually raised speakers accounting for individual variation, country of elicitation, mode, and register. Findings: The results show that heritage and monolingually raised speakers of Greek, Russian, and Turkish converge in their use of demonstratives. Also, mode and/or register significantly affect the production of definite noun phrases with demonstratives across all speaker groups. Originality: This is the first cross-linguistically comparable large-scale corpus study with ecologically valid production data of definite noun phrases with demonstratives in bilinguals. Significance: The study contributes to understanding the use of demonstratives in heritage and monolingual Greek, Russian, and Turkish. It provides insights into the use of demonstratives in languages with different determiner systems and the impact of mode and/or register, which seems to be pronounced roughly similarly across these languages.
Characteristics of Nocturnal Hypoglycaemic Events and Their Impact on Glycaemia
Authors: Eichenlaub Manuel , Öter Sükrü , Waldenmaier Delia , Kulzer Bernd , Heinemann Lutz , Ziegler Ralph , Schnell Oliver , Glatzer Timor , Freckmann Guido 
Published: August 2024

Background: Nocturnal hypoglycaemia is a burden for people with diabetes, particularly when treated with multiple daily injections (MDI) therapy. However, the characteristics of nocturnal hypoglycaemic events in this patient group are only poorly described in the literature. Method: Continuous glucose monitoring (CGM) data from 185 study participants with type 1 diabetes using MDI therapy were collected under everyday conditions for up to 13 weeks. Hypoglycaemic events were identified as episodes of consecutive CGM readings <70 mg/dl or <54 mg/dl for at least 15 minutes. Subsequently, the time <54 mg/dl (TB54), time below range (TBR), time in range (TIR), time above range (TAR), glucose coefficient of variation (CV), and incidence of hypoglycaemic events were calculated for diurnal and nocturnal periods. Furthermore, the effect of nocturnal hypoglycaemic events on glucose levels the following day was assessed. Results: The incidence of hypoglycaemic events <70 mg/dl was significantly lower during the night compared to the day, with 0.8 and 3.8 events per week, respectively, while the TBR, TB54, and incidence of events with CGM readings <54 mg/dl was not significantly different. Nocturnal hypoglycaemic events <70 mg/dl were significantly longer (60 vs 35 minutes) and enveloped by less rapidly changing glucose levels. On days following nights containing hypoglycaemic events, there was a decrease in TAR, mean CGM glucose level and morning glucose levels and an increase in TB54, TBR, and CV. Conclusions: The results showed that nocturnal hypoglycaemic events are a common occurrence in persons with type 1 diabetes using MDI with significant differences between the characteristics of nocturnal and diurnal events.