bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydrogen peroxide irrigation as an adjunct to digital rectal examination for detection of penetrating low rectal injuries
Authors: O'Brien Matthew , Diebel Lawrence 
Published: August 2024

BackgroundRectal trauma carries significant morbidity, particularly if there is a delay in diagnosis. Digital rectal examination has a relatively low sensitivity. Proctoscopy and sigmoidoscopy are available but can be limited in situations with increased fecal burden or uncooperative patients. We suggest more sensitive bedside techniques are necessary to diagnose low rectal injury, and here present a case report to demonstrate proof of concept using hydrogen peroxide to directly visualize an injury.MethodsDigital rectal examination was performed in a patient after multiple gunshot wounds and was negative for gross blood. Suspicion for low rectal injury remained high, and hydrogen peroxide was used to evaluate bullet trajectory. Approximately 25 mL of 3% hydrogen peroxide was instilled into the bullet tract.ResultsHydrogen peroxide evaluation of the bullet tract was performed in less than 1 min with minimal supplies and preparation. It revealed an extraperitoneal injury where the rectal examination had been falsely negative.ConclusionHydrogen peroxide may be used to evaluate a suspected penetrating injury of the rectum. Considering the potential of this modality to diagnose injuries in a timely and reliable manner, additional investigation may be warranted.
Quantification and practical solution for bottom boundary effects on long-term permafrost models
Authors: Ross C.R. , Beddoe R.A. , Siemens G.A. 
Published: August 2024

Permafrost models are commonly used to simulate future ground temperatures under the influence of climate change and/or proposed infrastructure. Most, if not all model input decisions are made based on limited subsurface knowledge. Shallow model domains offer more efficient run-times especially with gridded one-dimensional schemes as well as two-dimensional and three-dimensional simulations over longer time periods. Recent focus has been on the development of surface boundaries; however, less attention is given to the bottom boundary condition. In this paper, first we quantify the effect of model domain depth and bottom boundary condition type on long-term ground temperature evolution in transient model simulations. Model domains less than 100 m deep with the bottom boundary condition set to both geothermal gradient and a perfectly insulated base ( q = 0) show significant overwarming and overestimate thawing in cold permafrost. Guidance is provided to interrogate model results to avoid bottom boundary condition effects. For cases where further models are needed, a practical solution to this challenge is developed to obtain model depth-independent results. This solution allows for reduced computational requirements while maintaining consistent results for century-scale transient simulations considering climate change effects on thawing permafrost.
Influence of baffle size and position on natural convective heat transport in a skewed cavity by finite element method
Authors: Hasan Md. Shamim , Fayz-Al-Asad Md. , Iqbal Zahoor , Sarker Md. Manirul Alam , Al Samman Fathia M. , Alhagyan Mohammed , Alqarni M. M. , Gargouri Ameni 
Published: August 2024

This paper explores natural convection heat removal performance in accordance with the variation of the baffle size and position in a skewed cavity. In this skewed cavity, the top and bottom walls are considered to be adiabatic. The inclined left wall is deliberated at a sinusoidal cool temperature, and the other wall is treated at a hot temperature. The baffle is connected to the hot temperature wall. The dimensionless governing equations will be solved by the Galerkin weighted residual (GWR) technique of the finite element method. The influence of Rayleigh number ([Formula: see text]), baffle sizes ([Formula: see text], 0.35, and 0.50), and baffle positions ([Formula: see text], 0.50, and 0.75) in a fluid with [Formula: see text] were investigated in this research. The comparisons between the outcome of this work and previously published work in a literature review by Elatar et al. 8 have been produced to examine the reliability and consistency of the data. The results of the simulation are represented by streamlines, isotherms, local and mean Nusselt numbers, mean fluid temperature, and baffle effectiveness. The results demonstrate that as the Rayleigh number grows, the heat removal performance rate continues to develop in this study. Also, the results revealed that the heat transport rate decreased when gradually raising the baffle length. Baffles can significantly improve the mixing of fluid inside the enclosure, which can mean reductions in reaction times and operating costs, along with increases in heat exchange and efficiency.
Dopamine Functionalized TiO2 1D Lepidocrocite Mesoporous Particles As a Sulfur Host
Authors: Cardoza Neal Amadeus , Hassig Mary Qin , Yim Taber , Schwenk Gregory R , Barsoum Michel W. , Kalra Vibha 
Published: August 2024

Lithium sulfur batteries are attractive because of their high specific capacities. However, a variety of issues, chiefly polysulfides and the polysulfide shuttle still hinder their development. In our past work we demonstrated a new form of titania-based nanomaterials which we labelled 1 dimensional lepidocrocite nanofilaments (1DLs) as a sulfur (S) host for Li-S batteries1. 1DL is synthesized using a facile bottom-up scalable reaction, directly from commercial 3D bulk solids at ambient pressures and near ambient temperatures2. Moreover, these materials self-assemble into a plethora of microstructures – from individual 1D nanofilaments 5x7 Å2 in cross-section to 2D flakes to mesoscopic particles, all comprised of 1DL - depending on the synthesis and washing parameters. The multitude of structures allows for a variety of applications like electrocatalysis and hydrogen production3. Here we introduce a new structure of 1DLs - mesoporous particles - as S hosts. We further show that by employing a facile, aqueous, 1-step surface functionalization with dopamine – confirmed through changes in the FTIR peaks and an increase in the d-spacing in XRD (inst in Fig 1b) – we increase their interaction with S. The surface functionalization results in a reduction of the 1DL bandgap energy, Eg, to ~1.84 eV, which is a ≈ 50% reduction over un-functionalized 1DL. Additionally, the surface functionalization renders a more conformal coating of S on the 1DL, leading to increased S utilization and interaction with the 1DL, seen in a 20% reduction in of polysulfide shuttle current and 750 mAh.gs
-1 at 0.5 C at a loading of 2 mg.cm-2 (seen in Fig 1a and 1b). This is further seen in the increased interactions of the thiosulfate species and Lewis acid-base interactions, shown in our prior work with S and 1DL.
References

Cardoza, N. A.; Badr, H. O.; Pereira, R.; Barsoum, M. W.; Kalra, V. One-Dimensional, Titania Lepidocrocite-Based Nanofilaments and Their Polysulfide Anchoring Capabilities in Lithium–Sulfur Batteries. ACS Appl. Mater. Interfaces 2023, 15 (44), 50973–50980.

Badr, H. O.; Cope, J.; Kono, T.; Torita, T.; Lagunas, F.; Castiel, E.; Klie, R. F.; Barsoum, M. W. Titanium Oxide-Based 1D Nanofilaments, 2D Sheets, and Mesoporous Particles: Synthesis, Characterization, and Ion Intercalation. Matter 2023, 6 (10), 3538–3554.

Badr, H. O.; Natu, V.; Neațu, Ștefan; Neațu, F.; Kuncser, A.; Rostas, A. M.; Racey, M.; Barsoum, M. W.; Florea, M. Photo-Stable, 1D-Nanofilaments TiO2-Based Lepidocrocite for Photocatalytic Hydrogen Production in Water-Methanol Mixtures. Matter 2023, 6 (9), 2853–2869.

Figure 1
Inverted Glasses As Ductile Lithium Ion Conductors for Solid State Batteries
Authors: Kalnaus Sergiy , Westover Andrew S , Yang Guang , Kornbluth Mordechai , Herbert Erik , Dudney Nancy 
Published: August 2024

Inorganic electrolytes for solid state batteries with Li metallic anodes must combine properties such as high ionic conductivity, chemical stability, and resistance to failure due to propagation of Li dendrites. Abundance of experimental evidence suggests that cracking of the solid electrolytes due to pressure exerted by lithium plating into the material defects is the primary source of failure [1]. This is due to inherent brittleness of the ceramic ionic conductors, i.e. their inability to reduce stress by means other than fracture. Unlike ceramics, plastic deformation in glass can be achieved via shear and (or) by densification. Both mechanisms can be operational in glasses with reduced content of glass formers relative to the content of glass modifiers – i.e. inverted glasses. Using the example of lithium phosphorous oxynitride, Lipon, we demonstrate how these two mechanisms are capable of accommodating applied stress while avoiding creation of new surfaces by cracking. We investigate the resistance to fracture in Lipon-like glasses and the underlying connection to their composition via instrumented nano-indentation, Raman spectroscopy, and numerical simulations. We observe enhancement of isochoric shear with increase of Li content, similarly to the reports of increased plasticity in sodium aluminoborate glases with high alkali content [2]. Nano-indentation demonstrates that Lipon is extremely resistant to fracture, compared to other inorganic solid electrolytes [3].
[1] Porz, T. Swamy, B.W. Sheldon, D. Rettenwander, T. Fromling, H.L. Thaman, S. Berendts, R. Uecker, W.C. Carter, Y.-M. Chiang, Mechanism of lithium metal penetration through inorganic solid electrolytes. Adv. Energy Mater. 7, 1701003 (2017)
[2] Sellappan, T. Rouxel, F. Celarie, E. Becker, P. Houizot, R. Conradt, Composition dependence of indentation deformation and indentation cracking in glass. Acta Mater. 61, 5949–5965 (2013)
[3] Kalnaus, A. Westover, M. Kornbluth, E.J. Herbert, N.J. Dudney, Resistance to fracture in the glassy solid electrolyte Lipon. J. Mater. Research, 36, 787-795 (2021)
(Invited) Stereoselective Synthesis of Molecular Nanographenes
Authors: Martin Nazario , Buendía Manuel , Fernández-García Jesús Manuel , Perles Josefina , Filippone Salvatore 
Published: August 2024

Chirality is an important and fascinating concept which has not been properly addressed in carbon nanoscience [1]. We have previously reported the first inherently chiral bilayer nanographene with a helicene linker, both as the racemate and the M isomer [2,3]. Helical bilayer nanographenes (HBNGs) are chiral π-extended aromatic compounds consisting in two π-π stacked hexa-benzocoronenes (HBC) joined by a helicene, thus resembling van der Waals layered 2D materials. Recently, we have synthesized and compared [9]HBNG, [10]HBNG and [11]HBNG helical bilayers endowed with [9], [10] and [11]helicenes embedded in their structure, respectively. Interestingly, the helicene length defines the overlapping degree between the two HBCs (number of benzene rings involved in π-π interactions between the two layers), being of 26, 14 and 10 benzene rings, respectively, according to the X-ray analysis [4]. More interesting, this overlapping also controls the properties.
Compounds constituted only by carbon atoms, such as optically active molecular nanographenes have, so far, been obtained as racemates followed by time-consuming chiral chromatographic separations. In this presentation, an enantioselective strategy of a new bilayer nanographene which uses two pivotal stereocontrolled key synthetic steps to introduce and extend stereogenic elements into a polycyclic aromatic Csp2-based structure will be discussed. The resulting helical core of six ortho-fused rings embedded in the nanographene ensures stereochemical stability and good chiroptic activity [5].

Acknowledgements

: This work has been supported by the Ministerio de Educación, Cultura y Deporte of Spain (Grant PID2020-114653RB-100).

References

[1] J. M. Fernández-García, P. J. Evans, S. Filippone, M. A. Herranz, N. Martín, “Chiral Molecular Carbon Nanostructures”, Acc. Chem. Res. 2019, 52, 1565-1574.
[2] P. J. Evans, et al., Angew. Chem. Int. Ed. 2018, 57, 6774 –6779.
[3] Z. Zhou, J. M. Fernández-García, et al.
Angew. Chem. Int. Ed.
2022
, 61, e20211574.
[4] Patricia Izquierdo-García,et al. J. Am. Chem. Soc.
2023, 145, 11599-11610.
[5] M. Buendía-Mateos, et al. Manuscript submitted,
2023.
(Invited) Spironanographenes: Chemospecific Scholl Reaction, Unexpected Formation of Bilayers and Donor-Acceptor Behavior
Authors: Fernández-García Jesús Manuel , Izquierdo-García Patricia , Lión-Villar Juan , Martin Nazario 
Published: August 2024

Bottom-up benchtop synthesis of nanometric fragments of graphene, molecular nanographenes (NGs), allows the design and monodisperse preparation of molecules with structures, and thus properties, at will. The most commonly employed methodology has mainly consisted in the π-extension of a central scaffold followed by a graphitization step, in which the honeycomb pattern of the final molecular nanographene is formed. The vast majority of syntheses involving molecular nanographenes, employ the Scholl reaction as graphitization step. This dehydrogenative C–C coupling, first described by Roland Scholl in 1910, has now become one of the most powerful reactions in NGs synthesis, although its mechanism pathway is still under debate.
In this connection, in early 2023, we reported a chemospecific Scholl reaction depending on the electronic nature of the central scaffold. The formation of stabilized trityl cations using anthracene as central scaffold, led to the formation of spirocycles under Scholl reaction conditions, without interrupting the graphitization process, for the first time (Figure a).1 In contrast, the destabilization of the trityl cation by including fluorine atoms afforded helically arranged NGs (Figure b).2

Furthermore, in order to study the electronic communication in spironanographenes, recently we have extended the π-system of spirobifluorene yielding to two-fold chiral spironanographenes (Figure c). Surprinsingly, the π-π interactions of the graphitic moieties avoid their orthogonal disposition yielding a bilayer that could lead to important electronic features due to the overlap of the two fragments (Figure d).3

[1] P. Izquierdo-García, J. M. Fernández-García, J. Perles, I. Fernández, N. Martín. Angew. Chem. Int. Ed. 2023, 62, e202215655
[2] P. Izquierdo-García, J. M. Fernández-García, I. Fernández, J. Perles, N. Martín. J. Am. Chem. Soc. 2021, 143, 11864–11870.
[3] P. Izquierdo-Garcia, J. M. Fernandez-Garcia, S. Medina Rivero, M. Samal, J. Rybacek, L. Bednarova, S. Ramirez-Barroso, F. J. Ramirez, R. Rodriguez, J. Perles, D. Garcia-Fresnadillo, J. Crassous, J. Casado, I. G. Stara, N. Martin, J. Am. Chem. Soc.
2023, 145, 11599.

Figure 1
Distinct High-Pressure Responses of Halide Perovskites from Bulk to Low Dimension
Authors: Yin Tingting 
Published: August 2024

Hybrid organic-inorganic perovskites (HOIPs) are low-cost and highly efficient optoelectronic and photovoltaic materials for applications in solar cells, light emitting diodes (LEDs), and so on, which is correlated with their intrinsic structures. Now the hybrid perovskite families include three-dimensional (3D) (CH3NH3PbBr3), two-dimensional (2D) ((C4H9NH3)2(CH3NH3)n-1PbnI3n+1) and nanostructured ((CH3NH3PbBr3 nanoparticles) materials. Herein, well understanding the relationship between the cystal structures and the related functional properties of HOIP materials is essential to the application point of view. High pressure up to gigapascal, offers a comprehensive way to study the structure-property correlation of solid materials in the atomic level, where both crystal structures and electronic properties are changed dramatically.
In this presentation, high pressure induced dramatically inorganic and organic part changes in 2D HOIPs are comprehensively studied[1,2], as shown in Figure 1. On the other hand, structural phase transition and morphology changes are also explored in 3D HOIP and their nanoparticles[3], as shown in Figure 2. All the high pressure-induced inorganic structural transition is resolved by in situ X-ray powder diffraction (XRD) measurements, morphology change is resolved by transmission electron microscopy (TEM), the correlated optical responses are investigated by absorption and photoluminescence spectroscopy. And the rotational isomerism is evidenced by the vibrational properties of the organic BA chain by Raman spectroscopy combined with the Ab initio calculations.
Reference:
[1] T Yin, B Liu, J Yan, Y Fang, M Chen, WK Chong, S Jiang, J-L Kuo, J Fang, P L, S-H W, K-P Loh, T-C Sum, T J. White, and Z Xiang, J. Am. Chem. Soc. 141, 1235 (2019).
[2] Yin T, Yan H, Abdelwahab I, Lekina Y, Lü X, Yang W, Sun H, Leng K, Cai Y, Shen Z, Loh KP, Nat. Commun. 14, 411 (2023).
[3] T Yin, Y Fang, WK Chong, KT Ming, S Jiang, X Li, J-L Kuo, J Fang, T-C Sum, T J. White, J Yan, and Z Xiang, Adv. Mater. 30, 1705017 (2018).

Figure 1
(Digital Presentation) Graphene as Barriers to Prevent Phosphoric Acid Leaching in High-Temperature PEMFCs
Authors: Liu Zimeng , Ji Zhaoqi 
Published: August 2024

High-temperature PEMFCs running at 120-200℃ with the simplified water management has attracted more attention [1]. However, phosphoric acid molecules in polybenzimidazole membrane electrolyte (PA/PBI) are easily leaching to electrodes, which block pores of carbon fiber electrodes and impact gas transfer. Finally, the power density and durability of PEMFCs are extremely reduced [2].
Graphene is a kind of two-dimensional (2D) structure of honeycomb lattice material and can block the penetration of almost all molecules and atoms, which is able to prevent PA molecules leaching as [3]. Our group has investigated a nitrogen-modified reduced graphene oxide (NrEGO) prepared by the electrochemical exfoliation, which has shown excellent performance in enhancing the activity and stability of catalysts [4]. Meanwhile, our previous research developed a single layer graphene loaded electrode. The power density of high-temperature PEMFCs is improved compared with commercial cells after accelerated stress test [5].
Therefore, this work used NrEGO flakes as barriers to prevent phosphoric acid leaching to gas diffusion layer with lower Pt loading. In the present results, when the ratio of NrEGO and CB is 2 to 3 and the Pt loading is 0.25 mgPt/cm2, the cell improves 20% of the maximum power density and shows more stable with a decay of voltage by only 0.02 mV/h, which is quiet lower compared with that of 1.14 mV/h in commercial Pt/C.

References

[1] J. Lobato, H. Zamora, J. Plaza, P. Canizares, M.A. Rodrigo. Enhancement of high temperature PEMFC stability using catalysts based on Pt supported on SiC based materials. Applied Catalysis B: Environmental. 2016. 198: 516-524.
[2] Z.M. Guo, M. Perez-Page, J.N. Chen, Z.Q. Ji, S.M. Holmes. Recent advances in phosphoric acid-based membranes for high-temperature proton exchange membrane fuel cells. Journal of Energy Chemistry. 2021. 63: 393-429.
[3] S. Hu, M. Lozada-Hidalgo, F. C. Wang, A. Mishchenko, F. Schedin, R. R. Nair, E. W. Hill, D. W. Boukhvalov, M. I. Katsnelson, R. A. W. Dryfe, I. V. Grigorieva, H. A. Wu, A. K. Geim. Proton transport through one-atom-thick crystals. Nature. 2014. 516: 227-230.
[4] Z.Q. Ji, J.N. Chen, M. Pérez-Page, Z.M. Guo, Z.Y. Zhao, R.S. Cai, M. T.P. Rigby, S. J. Haigh, S. Holmes. Doped graphene/carbon black hybrid catalyst giving enhanced oxygen reduction reaction activity with high resistance to corrosion in proton exchange membrane fuel cells. Journal of Energy Chemistry. 2022. 68: 143-153.
[5] J.N. Chen, J. J. Bailey, L. Britnell, M. Perez-Page, M. Sahoo, Z. Zhang, A. Strudwick, J. Hack, Z.M. Guo, Z.Q. Ji, P. Martin, D. J.L. Brett, P. R. Shearing, S. M. Holmes. The performance and durability of high-temperature proton exchange membrane fuel cells enhanced by single-layer graphene. Nano Energy. 2022. 93: 106829.

Figure 1
Electrochemistry of 2D Nanosheets Based on Platinum Group Metals
Authors: Sugimoto Wataru , Muramatsu Keisuke , Takimoto Daisuke 
Published: August 2024

Electrocatalysts and electrode materials based on platinum group metal (PGMs) and thier oxides are one of the most well studied materials for energy storage and conversion applications.1,2 As such materials are scarce, downsizing is critical for practical applications and various nanomaterials have been synthsized so far. 2D nanostructures (nanosheets) are particularly promising, owing not only to the high surface/volume ratio, but also to the stability originating from the 2D extended bonds. This talk will attempt to provide a summary of state-of-the-art PGM nanosheets and a critical assessment on the possible applications of such innovative nanomaterials. We will present and discuss recent advancement on the synthesis and structure-property relation of PGM oxide nanosheets based on RuO2 and IrO2 for supercapacitor3-5 application as well as electrocatalysts.6,7 In addition, electrocatalytic activity of Pt and core-shell Pt nanosheets will be presented.8-11

1. W. Sugimoto, Electrochemistry, 86, 281–290 (2018) DOI: 10.5796/electrochemistry.18-6-E2668.
2. W. Sugimoto and D. Takimoto, Chem. Lett., 50, 1304–1312 (2021) DOI: 10.1246/cl.210087.
3. W. Sugimoto, H. Iwata, Y. Yasunaga, Y. Murakami, and Y. Takasu, Angew. Chem. Int. Ed., 42, 4092–4096 (2003) DOI: 10.1002/anie.200351691.
4. K. Fukuda, T. Saida, J. Sato, M. Yonezawa, Y. Takasu, and W. Sugimoto, Inorg. Chem., 49, 4391–4393 (2010) DOI: 10.1021/ic100176d.
5. K. Sonobe, S. Tominaka, and W. Sugimoto, J. Am. Chem. Soc., 144, 15008–15012 (2022) DOI: 10.1021/jacs.2c05951.
6. D. Takimoto, K. Fukuda, S. Miyasaka, T. Ishida, Y. Ayato, D. Mochizuki, W. Shimizu, and W. Sugimoto, Electrocatalysis, 8, 144–150 (2017) DOI: 10.1007/s12678-016-0348-4.
7. D. Takimoto, Y. Ayato, D. Mochizuki, and W. Sugimoto, Electrochemistry, 85, 779–783 (2017) DOI: 10.5796/electrochemistry.85.779.
8. K. Fukuda, J. Sato, T. Saida, W. Sugimoto, Y. Ebina, T. Shibata, M. Osada, and T. Sasaki, Inorg. Chem., 52, 2280–2282 (2013) DOI: 10.1021/ic302720d.
9. D. Takimoto, T. Ohnishi, J. Nutariya, Z. Shen, Y. Ayato, D. Mochizuki, A. Demortière, A. Boulineau, and W. Sugimoto, J. Catal., 345, 207–215 (2017) DOI: 10.1016/j.jcat.2016.11.026.
10. J. Nutariya, E. Kuroiwa, D. Takimoto, Z. Shen, D. Mochizuki, and W. Sugimoto, Electrochim. Acta, 283, 826–833 (2018) DOI: 10.1016/j.electacta.2018.07.005.
11. D. Takimoto, S. Toma, Y. Suda, T. Shirokura, Y. Tokura, K. Fukuda, M. Matsumoto, H. Imai, and W. Sugimoto, Nat. Commun., 14, 19 (2023) DOI: 10.1038/s41467-022-35616-4.
Fast-Kinetics Electrochemcial Charge Storage by 2D Layered Materials
Authors: Yu Minghao 
Published: August 2024

Electrochemical energy storage technologies have garnered significant attention due to their efficient and sophisticated approaches for storing, transporting, and supplying energy derived from sustainable resources.[1-2] The demand for power and energy supply is crucial in practical applications and is poised to expand further in the future. Hence, there is a pressing need to either design new electrode materials or intelligently reconstruct existing ones for energy storage devices to address the power-energy tradeoff effectively. In this presentation, I will highlight our recent endeavors in the exploration of 2D layered materials for sustainable energy storage applications.[3] Specifically, I will outline various interlayer engineering strategies developed for inorganic 2D layered materials. These strategies aim to regulate ion transport behaviors and enhance the power-energy performance of the assembled energy storage devices.[4-7]
References:
[1] Yu et al., Chem. Soc. Rev. 2021, 50, 2388-2443.
[2] Yu et al., Joule 2019, 3, 338-360.
[3] Yu et al., J. Am. Chem. Soc. 2020, 142, 12903-12915.
[4] Yu et al., Angew. Chem. Int. Ed. 2021, 60, 896-903.
[5] Yu et al., Nat. Commun. 2020, 11, 1348.
[6] Yu et al., Adv. Mater. 2022, 34, e2108682.
[7] Yu et al., Adv. Energy Mater. 2023, doi: 10.1002/aenm.202302961.