bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimal Composition of the Sby(S1−x,Sex)3 Ternary Absorber for High Efficiency Solar Cells
Authors: Nicolás‐Marín Miriam M. , González‐Castillo Jesús Roberto , Courel‐Piedrahita Maykel , Riech‐Méndez Inés , Mijangos‐Alonzo Pedro Antonio , Vigil‐Galán Osvaldo
Published: July 2024

Solar cells based on Sb2(S1−x,Sex)3 ternary compounds have shown the highest reported efficiency value compared to their Sb2Se3 and Sb2S3 counterparts in antimony chalcogenide technology. However, the reported record efficiencies for these new emergent solar cells are still well below the theoretical values according to their bandgap value or for the traditional solar cells in the thin film technology. This article presents an analysis regarding the optimal composition that guarantees an increase in efficiency in the manufacture of Sby(S1−x,Sex)3 solar cells, as well as the proposal of a new synthesis method that allows obtaining the ternary compound with the calculated optimal composition. From theoretical considerations, a composition of Sb1.85(S0.63,Se0.42)3 is obtained. This composition is equivalent to optimal values Se/(S + Se) = 0.4 and Sb/(S + Se) = 0.88. The results of the new proposed synthesis method are presented and discussed.
Anelastic and Magnetic Properties of Polycrystalline La0.6Sr0.4Fe1−xCuxO3−δ
Authors: Xue Boren , Ying Xuenong , Lu Xiaomei
Published: July 2024

Perovskite La0.6Sr0.4Fe1−xCuxO3−δ (x = 0, 0.05, 0.1, and 0.2) polycrystalline samples have been synthesized in air and investigated by X‐Ray diffraction, scanning electron microscope, magnetization, and mechanical spectroscopy. An antiferromagnetic transition is observed around 300 K, while no corresponding anomaly is observed in the mechanical spectrum, indicating the absence of conventional magnetoelastic coupling. For La0.6Sr0.4FeO3, an internal friction peak (P1) presents around 140 K and shifts to lower temperatures with increasing Cu‐doping content. Meanwhile, a magnetic anomaly is also observed around P1 peak temperature. As explained, the P1 peak is related to the freezing of the ferroelastic domain walls, and the mechanical energy dissipation is induced by the lagging variation of the octahedral tilting under the alternating stress. This work suggests a peculiar magnetic property of the octahedra within ferroelastic domain walls.
A momentum budget study of the semi‐annual oscillation in the Whole Atmosphere Community Climate Model
Authors: Jaison Aleena M. , Gray Lesley J. , Osprey Scott , Smith Anne K. , Garcia Rolando R.
Published: July 2024

The representation of the semi‐annual oscillation (SAO) in climate models shows a common easterly bias of several tens of metres per second compared to observations. These biases could be due to deficiencies in eastward tropical wave forcing, the position or strength of the climatological summertime jet or the strength/timing of the Brewer–Dobson circulation. This motivates further analysis of the momentum budget of the upper stratosphere within models and a more detailed comparison with reanalyses to determine the origin of the bias. In this study, the transformed Eulerian mean momentum equation is used to evaluate the different forcing terms that contribute to the SAO in the MERRA2 reanalysis dataset. This is then compared with the equivalent analysis using data from a climate simulation of the Whole Atmosphere Community Climate Model (WACCM). The comparison shows that WACCM underestimates eastward forcing by both resolved and parameterised waves at equatorial latitudes when compared with MERRA2 and also has a weaker tropical upwelling above 1 hPa.
Model two states dynamics of photo‐detachment [F‐H‐F]− induced by an optimally designed polychromatic field
Authors: Seal Dipayan , Sen Shrabani , Chaudhury Pinaki , Ghosh Subhasree
Published: July 2024

Photo‐detachment of electron from [F‐H‐F] to generate neutral [F‐H‐F] has been studied in this article. Neutral has a linear structure and this is the transition state (T.S.) of F + HF FH + F reaction. The Potential Energy Surface (P.E.S.) of neutral [F‐H‐F] and molecular anion [F‐H‐F] for the asymmetric stretching mode is generated and the dynamics under the influence of an external polychromatic field is followed. The P.E.S. of [F‐H‐F] looks like a “flat‐bed” single well where as for [F‐H‐F] it has a symmetrical double well structure. In absence of any external field these two surfaces are well separated. But in presence of external field transition from molecular anion [F‐H‐F]
to neutral molecule [F‐H‐F] takes place which causes the detachment of an electron. We have designed an optimal designed field using Simulated Annealing and studied the dynamics of electron detachment by such external fields. We have achieved detachment probability of by applying the optically designed field.
Effect of Solvothermal Time to Characteristics and Performance of Photocatalyst Bismuth‐Rich Oxyiodide for Dye Decolorization
Authors: Astuti Yayuk , Mawaddah Fidya Azahro Nur , Darmawan Adi , Arnelli  , Suseno Ahmad
Published: July 2024

This study aims to explore how altering solvothermal duration influences the characteristics of the resulting products, spanning crystal structure, band gap energy, morphology, and photocatalytic performance. Bismuth‐rich oxyiodide was synthesized via the solvothermal method by dissolving Bi(NO3)3 ⋅ 5H2O and KI in ethylene glycol. The mixture underwent heating in a Teflon autoclave stainless steel at 120 °C for durations of 6, 12, 24, and 48 hours. Analysis using FTIR revealed the presence of Bi−O and I−O bonds. Diffractograms indicated that all products exhibited traits of Bi4O5I2, with slight traces of Bi5O7I. Distinct band gap energies were observed across the solvothermal durations: 2 eV for 6 hours, 2.08 eV for 12 hours, and 1.89 eV for both 24 and 48 hours, delineating temporal nuances in product properties. Noteworthy, the morphology of the 12 hour variant revealed surface pores, indicative of intricate structural features. Notably, the 12 hour product exhibited the pinnacle of photocatalytic efficacy in methyl orange decolorization under UV light. Furthermore, investigations into photocatalyst mass variations and the inclusion of additional dyes, such as rhemazol black B, further elucidated the robust photocatalytic potential inherent in the B12 variant.
An Experimental and Theoretical Investigation on Highly Reusable Visible Light Active CoTe Nanosheets for Improved Photocatalytic Degradation of Toxic Aniline Blue Dye
Authors: Das Aditi , Rani Pinki , Ghosh Dastider Saptarshi , Kanta Mondal Krishna , Alegaonkar Prashant S.
Published: July 2024

Semiconductor‐assisted photocatalytic treatment is among the most effective methods for eliminating persistent contaminants from industrial wastewater. This study presents a hydrothermal approach for the preparation of Cobalt Telluride (CoTe) nanosheets for the degradation of aniline blue dye under visible light irradiation. The synthesized catalyst was characterized using various techniques, including X‐ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X‐ray spectroscopy (EDX), Fourier transform infrared (FTIR) spectroscopy, RAMAN spectroscopy, high‐Resolution transmission electron microscopy (HRTEM), and X‐ray photoelectron spectroscopy (XPS). Tauc's model was used to determine the optical band gap. The key operating parameters, such as the amount of CoTe, initial aniline blue (AB) concentration, and contact time, have been optimized to achieve the highest AB degradation percentage. Under visible light, 98 % of dye degradation occurred within 60 minutes. The degradation process was further assessed using total organic carbon (TOC) measurements. Free‐radical capture experiments were conducted to identify the role of radical species in the photocatalytic process. The photocatalytic process revealed that the equilibrium data aligns well with the Langmuir‐Hinshelwood kinetic model. A rate constant of 0.03486 min−1 was obtained. The photocatalyst demonstrated excellent recyclability, maintaining efficiency and structural integrity over five cycles. The photocatalytic experiment results also have been confirmed by a density functional theory (DFT) calculation.
Packed‐Bed Microreactor Under Taylor Flow for MOFs Catalyst Testing Demonstrated on Phenylacetylene Hydrogenation
Authors: Ashok Anchu , Chen Wenmiao , Zaza Abdulla , Madrahimov Sherzod , Al‐Rawashdeh Ma'moun
Published: July 2024

Metal‐Organic Frameworks (MOFs) represent a highly promising class of materials with diverse applications, particularly as catalytic materials. However, their synthesis typically yields powders available only at laboratory‐scale quantities, usually in the gram range or less. This study addresses the challenge of testing limited amounts of MOF catalysts for demanding applications, such as multiphase gas‐liquid‐solid reactions in flow, utilizing a packed‐bed microreactor. Specifically, we investigate the performance of a nanoparticle (NP) ‐immobilized Pd@UiO‐66 MOF catalyst in the selective semi‐hydrogenation of phenylacetylene to styrene, serving as a model reaction. Maintaining the Taylor flow regime upstream of the catalyst bed was crucial to ensure reproducible and reliable experimental results. We conducted 88 experiments at varying liquid flow rates, temperatures ranging from 15 to 45 °C, and relative pressures spanning 0.28 to 8 bar. Styrene selectivity within the range of 80–92.3 % was achieved at phenylacetylene conversions below 20 %. Notably, the optimal condition for styrene selectivity (70 %) was attained at 98.9 % phenylacetylene conversion under the lowest H2 pressure and highest temperature, demonstrating the significance of low H2 concentration for achieving optimal styrene selectivity. Remarkably, the catalyst exhibited stable activity and selectivity over a 20 h testing period, indicating its robust performance under prolonged reaction conditions. This study demonstrates the potential of the proposed catalyst testing system as a rapid and efficient approach for early‐stage exploration studies, particularly when limited quantities of catalyst, typically in the gram scale or less, are available.
Asymmetric PDMS/PVDF Pervaporation Membrane for Separation of Ethanol/Water System
Authors: Liang Hao , Liu Meiling , Sun De , Yue Dongmin , Ge Yanxia , Li Fenggang , Shi Meihui , Shi Zhan
Published: July 2024

Preparing asymmetric pervaporation membranes is a kind of promising method to enhance pervaporation membrane flux. Hydrophobic PVDF polymer can be used to prepare asymmetric pervaporation membranes, but its separation factor is relatively low. In this work, to improve the performance of PVDF membrane pervaporation, PDMS polymer was added to the PVDF membrane, and asymmetric PDMS/PVDF permeable membranes were prepared by the non‐solvent induced phase separation (NIPS) method. The effects of mass ratios of PDMS to PVDF on the membrane structures and the membrane properties were characterized by SEM, XRD, FTIR, TGA, water contact angle and mechanical strength. The results showed that the ratios of the PDMS: PVDF affect its phase‐separation behavior. As the addition of PDMS increased, the finger‐like pores on the membrane section gradually became longer, the upper surface changed from less porous to porous structure, and the lower surface structure changed from interconnected flocculent structure to porous, and the best structure of the blend membrane was achieved when the PDMS: PVDF mass ratio was 1 : 5. Therefore, the membrane had the best separation performance in separating 15 wt. % ethanol aqueous solution with a permeate total flux of 273.65 g/(m2 h) and a separation factor of 9.09 when the mass ratio of PDMS: PVDF was 1 : 5.
Exploring Nanohydrogels: Crafting Innovations for Biomedical Advancements
Authors: Sharma Prakriti , Ghosh Tushank , Sengupta Neha , Patra Prasun
Published: July 2024

Here in, we discuss different types of nanohydrogels in the field of biomedicine, highlighting their unique properties such as size, biocompatibility, and tuneable drug release capabilities. Nanohydrogels are considered versatile tools for applications in tissue engineering, drug delivery, and diagnostics, with the ability to target specific sites and release therapeutic agents in a controlled manner. The controlled‐release characteristics of nanohydrogels are particularly emphasized for targeted drug delivery, potentially transforming therapies for conditions like cancer by maximizing treatment efficacy while minimizing damage to healthy tissues. Several research articles published on nanohydrogels has been steadily increasing over the years, indicating growing interest and research activity in this field. This review provides an overview of contemporary methodologies employed in nanohydrogel design, their utilization in biomedical contexts, and their pivotal role in shaping advanced therapeutics. Recent investigations on nanohydrogels are scrutinized for their extensive utility in devising strategies conducive to finely tuned biological applications. Challenges and obstacles associated with the nanohydrogel technology in biomedicine also has been discussed. Cautious handling of the interaction of nanohydrogels with complex biological systems is also emphasized for the successful integration of this technology into medical applications.
Magnetic Nanoparticles‐Supported Synthesis of Pyrazole Scaffolds: A Review
Authors: Sharma Shubham , Suman  , Kaith B. S. , Vaishali
Published: July 2024

In the present era, the concept of green in organic synthesis has a unique and irreplaceable place. Specifically, nanoparticle has gained much more attention due to its various properties related to the concept of green chemistry. In this context, magnetic nanoparticle has been widely used in the organic synthesis over last one decade. Among organic compounds, pyrazole and its scaffolds are recognized as a privileged structure as it represents a promising area for identification of lead structures towards the discovery of new synthetic drug molecules and other valuable candidates. Several commercial drugs such as Sildenafil, Rimonabant, Celecoxib and many other compounds in biological testing and preclinical evaluation, illustrate the wide therapeutic spectrum in this class of drug scaffolds. Accordingly, the magnetic nanoparticles have an irreplaceable place in the synthesis of pyrazole derivatives and it is a green and easy methodology to the organic chemists. The present manuscript represents the assimilation of literature pertaining to green aspects of magnetic nanoparticles for the synthesis of highly diversified and valuable derivatives of pyrazole.
Enhanced Catalytic, Antioxidant, and Electrochemical Properties of Green‐Synthesized Graphene‐Silver Nanocomposite Utilizing Moringa Oleifera Leaf Extract
Authors: Rahim Abdul , Venkata Nadh Ratnakaram , Saeed Al Musawi Mahdi Jawad , Majety Syam Sundar , Akhil Syed , Kumar Nitish , Jeevan Kiran Monditoka , Evanglin Gudiwada Grace , Harika Subha , Chandu Basavaiah , Bollikolla Hari Babu , Ramachandran D.
Published: July 2024

Graphene, a remarkable material known for its exceptional properties, can be efficiently produced through environmentally friendly methods using renewable resources and eco‐friendly solvents. Recent studies have highlighted the potential of leaf extracts as effective reducing and stabilizing agents in converting graphene oxide (GO) to graphene. This paper presents a green and cost‐effective approach for the effective deposition of silver nanoparticles (Ag NPs) onto the reduced graphene oxide (RGO) nanosheets. The process involves the co‐reduction of GO and AgNO3 in water using Moringa olifera leaf extract, resulting in the formation of a nanocomposite termed reduced graphene oxide‐silver (Ag‐RGO). The formation of RGO and Ag NP is confirmed through UV‐visible spectroscopy, XRD, and Raman spectroscopy techniques. TEM images revealed the morphology of the nanocomposite, depicting 2‐dimensional graphene sheets adorned with Ag NPs. FT‐IR analysis confirmed the removal of oxygenated functional groups from GO, indicating graphene formation. The synthesized Ag‐RGO nanocomposite exhibited significant catalytic, antioxidant, and electrochemical properties. This study underscores the utilization of natural ingredients as sustainable alternatives for producing multifunctional graphene‐silver nanocomposites.
Deciphering Preferential Binding Interaction of Synthetic Pyrido[2,3‐c]Carbazole Alkaloid Derivative (PCAD) with Pu24T G‐quadruplex DNA
Authors: Pal Pamela , Bag Sagar , Burman Mangal Deep , Nandi Raj Kumar , Bhowmik Sudipta
Published: July 2024

G‐quadruplex DNA (GQ‐DNA) represents one of the most significant non‐canonical nucleic acid configurations. GQ‐DNA producing sequences are found in different important genomic areas, including the promoter islands of numerous oncogenes and human telomere regions. Therefore, GQ‐DNA is a key target for anticancer medicines. GQ‐DNA has a highly variable structure, it is critical to develop ligand molecules that selectively target certain quadruplex sequences. Natural products such as pyridocarbazole alkaloids have grown interest for healthcare and medicinal values and they considered as a valuable source of innovative anticancer medicines among the chemical compounds. In this investigation, we have synthesised and characterized pyrido[2,3‐c]carbazole derivative (PCAD) through NMR and IR spectra and explore the interactions between PCAD and Pu24T GQ (promoter region), h‐TELO GQ (telomere region) and duplex DNA by employing several multi‐spectroscopic analytical techniques. We have found that PCAD preferentially interacts with Pu24T GQ DNA as compared to other DNA sequences. These findings highlights PCAD as an appealing option for targeting the Pu24T promoter region and consequently acting as an anti‐cancer drug. This study also highlights the potential for developing drugs to understand the molecular aspects of GQ DNA recognition and signaling, paving the way for future research on GQ biology.
A Superior Bifunctional Electrocatalyst in Which Directional Electron Transfer Occurs Between a Co/Ni Alloy and Fe─N─C Support
Authors: Xu Ziyi , Wang Shihao , Tu Wenmao , Shen Ling , Wu Lu , Xu Shilong , Zhang Haining , Pan Hongfei , Yang Xiao‐Yu
Published: July 2024

Stable, efficient, and economical bifunctional electrocatalysts for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) are needed for rechargeable Zn–air batteries. In this study, a directional electron transfer pathway is exploited in a spatial heterojunction of CoyNix@Fe─N─C heterogeneous catalyst for effective bifunctional electrolysis (OER/ORR). Thereinto, the Co/Ni alloy is strongly coupled to the Fe─N─C support through Co/Ni─N bonds. DFT calculations and experimental findings confirm that Co/Ni─N bonds play a bridging role in the directional electron transfer from Co/Ni alloy to the Fe─N─C support, increasing the content of pyridinic nitrogen in the ORR‐active support. In addition, the discovered directional electron transfer mechanism enhances both the ORR/OER activity and the durability of the catalyst. The Co0.66Ni0.34@Fe─N─C with the optimal Ni/Co ratio exhibits satisfying bifunctional electrocatalytic performance, requiring an ORR half‐wave potential of 0.90 V and an OER overpotential of 317 mV at 10 mA cm−2 in alkaline electrolytes. The assembled rechargeable zinc–air batteries (ZABs) incorporating Co0.66Ni0.34@Fe─N─C cathode exhibits a charge–discharge voltage gap comparable to the Pt/C||IrO2 assembly and high robustness for over 60 h at 20 mA cm−2.
Vertical VOPO4·2H2O Nanosheets with Richly Exposed (200) Plane Enable Fast‐Kinetics High‐Mass‐Loading Cathodes for Zn‐Ion Batteries
Authors: Ling Rui , Zhao Shuting , Meng Chenxiao , Wang Wenyun , Yang Chao , Qi Wentao
Published: July 2024

Extending the layer spacing of the (001) planes to regulate the mobility of Zn2+ is widely adopted to optimize the performance of VOPO4·2H2O cathode for zinc‐ion batteries. However, the unique function originating from other planes is often neglected. Herein, an effective in situ conversion methodology is proposed for the synthesis of the (200) oriented growth of vertical VOPO4·2H2O nanosheets with oxygen vacancies (VOd‐VOPO4). Theoretical simulation and ex situ characterizations collaboratively demonstrate that the richly exposed (200) plane with tetragonal channels can offer quick pathways for in‐layer and cross‐layer migration of Zn2+, exhibiting enhanced transfer kinetics with improved reversible capacity. Meanwhile, efficient electron migration in VOd‐VOPO4 is guaranteed by the introduction of oxygen vacancies. Thus, the as‐prepared VOd‐VOPO4 harvests exceptional discharge capacity, impressive rate capability, and remarkable long‐cycle stability at high mass loading. Notably, the VOd‐VOPO4 electrode (15 mg cm−2) provides a capacity of 213.5 mAh g−1 with an ultrahigh areal capacity of 3.02 mAh cm−2 at 0.1 A g−1, showing great potential for applications. This study highlights the orientated growth strategy for facilitating ion storage and migration, offering novel perspectives on the development of high‐performance electrodes and beyond.
Polyene and Arene [4+1] Cycloaddition at a Seven‐Membered Cyclic Alumanyl
Authors: Liu Han‐Ying , Hill Michael S. , Mahon Mary F.
Published: July 2024

The reactivity of [{SiNDipp}AlK]2, which comprises a formally anionic Al(I) centre, has been examined towards a variety of 1,3‐dienic molecules, including 2,3‐dimethylbutadiene, cyclooctatetraene, anthracene and tetracene. In each case, the alumanyl derivative experiences oxidative addition across the Al(I) centre to provide the corresponding potassium aluminacyclopentene, aluminacyclopropene or aluminanorbornadiene products of [4+1] cycloaddition.
The Political Economy of Central Asian Law: A Law and Society Analysis
Authors: Urinboyev Rustamjon
Published: July 2024

This book provides fresh and much-needed insights into the interconnections between law, society and governance in Central Asia. By taking the interdisciplinary perspective of law and society, the book explores the social life of law and legal institutions in Central Asia in broader terms, encompassing not only the (state) legal system and traditional legal institutions but also various informal (non-legal) forms of normative ordering. The purpose of this book is to present a nuanced sociolegal analysis of how the state law and nonstate forms of normative ordering engage in mutually transforming interactions, thereby shaping the legal landscape of Central Asia.
Mapping Institutional Resilience: Locating Regulatory and Growth Frameworks in Central Asia
Authors: Khudaykulov Adham
Published: July 2024

This chapter aims to investigate the nexus of state regulation and economic performance from an institutional resilience-building perspective. Specially, I examine the case of the post-Soviet transition economies of Central Asia since gaining independence in the early 1990s. This region’s economic landscape has undergone profound structural changes following the dissolution and implosion of the former Soviet Union. Following a brief economic recession in the early ‘90 s, caused by the rapid disruption to production and economic linkages within the former Soviet Union, the regional economy has quickly recovered and experienced steady economic growth in recent decades. In this chapter, I examine the economic development observed in the region through the exploration of a regulatory regime capable of withstanding various political and economic challenges. In doing so, this study contributes to resilience thinking in economics by examining the robustness of the established regulatory regimes in Central Asian countries in responding and adjusting to the disruptions caused by external and internal factors and ensuring sustainable economic growth.
Taxation in the Digital Economy in Uzbekistan
Authors: Pulatov Alisher
Published: July 2024

Digital economy taxation plays a crucial role in the modern globalised world, where digital businesses and transactions are increasingly prominent. As digitalisation continues transforming various aspects of society and the economy, governments face challenges of effectively regulating and taxing digital activities. This chapter focuses on Uzbekistan, exploring the importance of regulating digital businesses and implementing taxation. Here, I aim to understand the significance of digital economy taxation and its implications for Uzbekistan's legal system, business environment, investment climate, societal change, and governance. Specifically, I delve into identifying non-resident businesses subject to value-added tax (VAT) and the associated challenges faced by tax authorities. I discuss the complexities of determining who should pay taxes and the difficulties in establishing the necessary nexuses to enforce taxation on digital service providers. Furthermore, I highlight the limitations of existing methods used to identify VAT-liable businesses, including the limited technical capacity and access to financial data. From my analysis, I outline recommendations for improving digital economy taxation, and recommend developing enforcement mechanisms, exchanging information between non-resident companies and tax authorities, utilising technology, and considering thresholds to support startups and small businesses. These recommendations should foster a fair and efficient tax system supporting the evolving digital landscape and promoting economic growth.
Multiple Agents Involved in the Localization of Our Lady of La Vang: From a Mythic Figure to the Mother of Vietnam
Authors: Duong Van Bien
Published: July 2024

Our Lady of La Vang is a version of the Virgin Mary that was first worshipped over a century ago at a place called La Vang in what is now Quảng Trị Province. Today, she is sometimes called the “Mother of Vietnam,” is represented wearing Vietnamese robes and is said to symbolize a supposed essential element of Vietnamese culture, the reverence of women. In other words, Our Lady of La Vang has been fully “localized.” However, the ways in which this happened are complex, and in this chapter, we discuss how scholars have explained the localization of Our Lady of La Vang, and Catholicism in Vietnam more generally, and then proceed to make our own analysis of this issue. In the end, we demonstrate that there have been multiple agents and agendas involved in the localization of Our Lady of La Vang. Further, these agents extend beyond Vietnam and include the Catholic church as well as members of the Vietnamese diaspora.
Feature engineering and parameter tuning: improving phenomic prediction ability in multi-environmental durum wheat breeding trials
Authors: Meyenberg Carina , Braun Vincent , Longin Carl Friedrich Horst , Thorwarth Patrick
Published: July 2024

Key Message

Optimized phenomic selection in durum wheat uses near-infrared spectra, feature engineering and parameter tuning. Our study reports improvements in predictive ability and emphasizes customized preprocessing for different traits and models.

The success of plant breeding programs depends on efficient selection decisions. Phenomic selection has been proposed as a tool to predict phenotype performance based on near-infrared spectra (NIRS) to support selection decisions. In this study, we test the performance of phenomic selection in multi-environmental trials from our durum wheat breeding program for three breeding scenarios and use feature engineering as well as parameter tuning to improve the phenomic prediction ability. In addition, we investigate the influence of genotype and environment on the phenomic prediction ability for agronomic and quality traits. Preprocessing, based on a grid search over the Savitzky–Golay filter parameters based on 756,000 genotype best linear unbiased estimate (BLUE) computations, improved the phenomic prediction ability by up to 1500% (0.02–0.3). Furthermore, we show that preprocessing should be optimized depending on the dataset, trait, and model used for prediction. The phenomic prediction scenarios in our durum breeding program resulted in low-to-moderate prediction abilities with the highest and most stable prediction results when predicting new genotypes in the same environment as used for model training. This is consistent with the finding that NIRS capture both the genotype and genotype-by-environment $$(G\times E)$$

(
G
×
E
)

interaction variance.
Residual stress evaluation in innovative layer-level continuous functionally graded materials produced by Powder Bed Fusion-Laser Beam
Authors: Campanelli Sabina Luisa , Carone Simone , Casavola Katia , Errico Vito , Pappalettera Giovanni , Posa Paolo
Published: July 2024

The main objective of this study is to evaluate residual stresses in AISI 316L and 18Ni Maraging 300 functionally graded materials with continuous variation of composition within a single layer using the contour method. The manufacture of this kind of layer-level continuous functionally graded materials by employing a Powder Bed Fusion-Laser Beam system utilizing a blade/roller-based powder spreading technique has only been recently devised and a proper residual stress analysis is still required. In fact, as the mechanical properties of additively manufactured samples are significantly influenced by the direction of construction, the same holds true for the direction along which the compositional variation is made. Furthermore, in this study, the impact of solution annealing and aging heat treatment, which are necessary for enhancing the mechanical properties of martensitic steel, on residual stresses was explored. Additionally, the effect of adopting material-differentiated process parameters was investigated. The results indicated that each specimen displayed areas of tensile stress concentration on the upper and lower surfaces, balanced by compression in the center. The application of heat treatment led to a decrease in the maximum tensile stress of 8% and provided a uniform and significant stress reduction within the maraging steel. Finally, the implementation of material-specific process parameters for the three composition zones in conjunction with the heat treatment resulted in a reduction in the maximum residual stress of 35% and also a significantly lower residual stress field throughout the specimen.
Caloric functions and boundary regularity for the fractional Laplacian in Lipschitz open sets
Authors: Armstrong Gavin , Bogdan Krzysztof , Rutkowski Artur
Published: July 2024

We give Martin representation of nonnegative functions caloric with respect to the fractional Laplacian in Lipschitz open sets. The caloric functions are defined in terms of the mean value property for the space-time isotropic $$\alpha $$
α
-stable Lévy process. To derive the representation, we first establish the existence of the parabolic Martin kernel. This involves proving new boundary regularity results for both the fractional heat equation and the fractional Poisson equation with Dirichlet exterior conditions. Specifically, we demonstrate that the ratio of the solution and the Green function is Hölder continuous up to the boundary.
Raman characterization of layer of graphene-like structures in 3d-transition metal-loaded charcoal by comparison with X-ray diffraction data
Authors: Yamagishi Takayuki , Shibutani Sakae , Suzuki Hikaru , Yamauchi Shigeru
Published: July 2024

To evaluate the formation and changes in graphitic structures in transition-metal loaded charcoal, charcoal samples synthesized from Japanese cedar wood impregnated with 3d-transition metal (Cr, Mn, Fe, Co, Ni, Cu, Zn) ions were analyzed using microscopic Raman spectroscopy and powder X-ray diffractometry. The metal-loaded charcoal samples were carbonized at 650, 700, 750, 800, and 850 °C in downstream N2 gas. The Raman Gˊ-band, which shows the structural ordering of carbon atoms, was observed in the Raman spectra of Fe-, Co-, and Ni-loaded charcoal. The Gˊ-bands occurred at ≤ 2670 cm− 1 and shifted to 2700–2690 cm− 1 with increasing carbonization temperature. The Gˊ-band observed in the higher wavenumbers (2700–2690 cm− 1) range corresponded to an X-ray diffraction (XRD) peak at ∼ 26.3 ° assigned to the (002) plane of graphite-like structures. The high-wavenumber Gˊ-band also corresponded to the XRD detection of the carbide of the three metals. However, the XRD peak was not found for Co- and Ni-loaded charcoal samples exhibiting Gˊ-bands at ≤ 2670 cm− 1.
Enough is enough: how many rectal suction biopsies do you need to diagnose Hirschsprung’s disease?
Authors: Neeser Hannah Rachel , Robbiani Isabella , Rodewald Ann-Katrin , Nigbur Tobias , di Natale Anthony , Moehrlen Ueli , Tharakan Sasha Job
Published: July 2024

Purpose

Rectal suction biopsy (RSB) is the gold standard for diagnosing Hirschsprung’s disease (HD) in infants. Despite being a common procedure, no standard exists on the number of biopsy specimens and their respective level within the rectum.

Methods

We conducted a retrospective review of epidemiological and pathological data of patients who underwent RSB at our institution between January 2011 and May 2022. During RSB we obtain 4 specimens: at 1 cm, 3 cm and 5 cm above the dentate line, besides one specimen at the dentate line. We used a logistic regression model for statistical analysis and included control variables (e.g. underlying disease, weight at first biopsy, gestational age).

Results

A total of 92 patients underwent 115 biopsies, with an average of 3.77 specimens per session. Of the specimens taken at 1 cm above the dentate line 73.9% were conclusive, at 3 cm 75.9% and at 5 cm 79.2%. Specimens taken at the dentate line were squamous or transitional epithelia in 31.5% and therefore of no use for HD diagnostics. The specimen at 3 cm shows the highest discriminative power whether the biopsy session was diagnostic (p-value < 1%).

Conclusions

We propose that a total of three specimens, namely one at 1 cm, one at 3 cm and one at 5 cm above the dentate line, is enough to diagnose or exclude HD.
Preclinical models of cardiotoxicity from immune checkpoint inhibitor therapy
Authors: Buehning Florian , Lerchner Tobias , Vogel Julia , Hendgen-Cotta Ulrike B. , Totzeck Matthias , Rassaf Tienush , Michel Lars
Published: July 2024

Immune checkpoint inhibitor (ICI) therapy represents a ground-breaking paradigm in cancer treatment, harnessing the immune system to combat malignancies by targeting checkpoints such as cytotoxic T-lymphocyte-associated protein 4 (CTLA-4) and programmed cell death protein 1 (PD-1). The use of ICI therapy generates distinctive immune-related adverse events (irAEs) including cardiovascular toxicity, necessitating targeted research efforts. This comprehensive review explores preclinical models dedicated to ICI-mediated cardiovascular complications including myocarditis. Tailored preclinical models of ICI-mediated myocardial toxicities highlight the key role of CD8+ T cells, emphasizing the profound impact of immune checkpoints on maintaining cardiac integrity. Cytokines and macrophages were identified as possible driving factors in disease progression, and at the same time, initial data on possible cardiac antigens responsible are emerging. The implications of contributing factors including thoracic radiation, autoimmune disorder, and the presence of cancer itself are increasingly understood. Besides myocarditis, mouse models unveiled an accelerated progression of atherosclerosis, adding another layer for a thorough understanding of the diverse processes involving cardiovascular immune checkpoint signalling. This review aims to discuss current preclinical models of ICI cardiotoxicity and their potential for improving enhanced risk assessment and diagnostics, offering potential targets for innovative cardioprotective strategies. Lessons from ICI therapy can drive novel approaches in cardiovascular research, extending insights to areas such as myocardial infarction and heart failure.
Safety and effectivity of Kono-S anastomosis in Crohn’s patients: a systematic review and Meta-analysis
Authors: Cathomas Marionna , Saad Baraa , Taha-Mehlitz Stephanie , Vankayalapati Dilip K. , Ghazal Nour El , Mourad Mohammed Majd , Ortlieb Niklas , Than Christian A. , Burri Emanuel , Glaser Christine , Heigl Andres , Neumann Katerina , Honaker Michael D. , Taha Anas , Rosenberg Robert
Published: July 2024

Purpose

Kono-S anastomosis, an antimesenteric, functional, end-to-end handsewn anastomosis, was introduced in 2011. The aim of this meta-analysis is to evaluate the safety and effectivity of the Kono-S technique.

Methods

A comprehensive search of MEDLINE (PubMed), Embase (Elsevier), Scopus (Elsevier), and Cochrane Central (Ovid) from inception to August 24th, 2023, was conducted. Studies reporting outcomes of adults with Crohn’s disease undergoing ileocolic resection with subsequent Kono-S anastomosis were included. PRISMA and Cochrane guidelines were used to screen, extract and synthesize data. Primary outcomes assessed were endoscopic, surgical and clinical recurrence rates, as well as complication rates. Data were pooled using random-effects models, and heterogeneity was assessed with I² statistics. ROBINS-I and ROB2 tools were used for quality assessment.

Results

12 studies involving 820 patients met the eligibility criteria. A pooled mean follow-up time of 22.8 months (95% CI: 15.8, 29.9; I2 = 99.8%) was completed in 98.3% of patients. Pooled endoscopic recurrence was reported in 24.1% of patients (95% CI: 9.4, 49.3; I2 = 93.43%), pooled surgical recurrence in 3.9% of patients (95% CI: 2.2, 6.9; I2 = 25.97%), and pooled clinical recurrence in 26.8% of patients (95% CI: 14, 45.1; I2 = 84.87%). The pooled complication rate was 33.7%. The most common complications were infection (11.5%) and ileus (10.9%). Pooled anastomosis leakage rate was 2.9%.

Conclusions

Despite limited and heterogenous data, patients undergoing Kono-S anastomosis had low rates of surgical recurrence and anastomotic leakage with moderate rates of endoscopic recurrence, clinical recurrence and complications rate.
The misunderstanding of the R Classification—a survey amongst medical specialties treating breast cancer
Authors: Sunitsch Sandra , Fischer Philipp , Pregartner Gudrun , Regitnig Peter
Published: July 2024

Frequent discussions in the tumour board about the Residual tumour (R) Classification of the UICC’s “TNM Classification of Malignant Tumours”, especially in the case of breast surgery specimens, raised the question about differing interpretations amongst different medical specialties. Thus, we designed a survey about the R Classification with a special focus on breast cancer specimens. An online survey was conducted, where a web link to the survey was distributed via email to various medical professional societies dealing with breast cancer in Austria and Germany with the request to distribute the link to their members. The study population consisted of physicians of all educational levels of different medical professions, who deal with breast carcinomas in their daily routine. Two hundred two participants, of which 160 (79.2%) have more than 10 years’ professional experience, took part in the survey; 88 (43.6%) were surgeons/gynaecologists, 80 (39.6%) pathologists, 19 (9.4%) radiation oncologists/ therapists, 8 (4.0%) radiologists, and 7 (3.5%) oncologists. We show that the R Classification is not completely mastered by anyone and that there are significant differences in the interpretation of the R Classification between different medical specialties. For better differentiation between the residual tumour (R Classification) of the TNM and a pure resection margin assessment, we suggest the use of a Resection margin (Rm) Classification to avoid further misunderstandings. To assist better multidisciplinary cooperation and to ensure better patient care all medical disciplines should be educated about the actual meaning and correct application of the R Classification.
Classification of subtask types and skill levels in robot-assisted surgery using EEG, eye-tracking, and machine learning
Authors: Shafiei Somayeh B. , Shadpour Saeed , Mohler James L. , Kauffman Eric C. , Holden Matthew , Gutierrez Camille
Published: July 2024

Background

Objective and standardized evaluation of surgical skills in robot-assisted surgery (RAS) holds critical importance for both surgical education and patient safety. This study introduces machine learning (ML) techniques using features derived from electroencephalogram (EEG) and eye-tracking data to identify surgical subtasks and classify skill levels.

Method

The efficacy of this approach was assessed using a comprehensive dataset encompassing nine distinct classes, each representing a unique combination of three surgical subtasks executed by surgeons while performing operations on pigs. Four ML models, logistic regression, random forest, gradient boosting, and extreme gradient boosting (XGB) were used for multi-class classification. To develop the models, 20% of data samples were randomly allocated to a test set, with the remaining 80% used for training and validation. Hyperparameters were optimized through grid search, using fivefold stratified cross-validation repeated five times. Model reliability was ensured by performing train-test split over 30 iterations, with average measurements reported.

Results

The findings revealed that the proposed approach outperformed existing methods for classifying RAS subtasks and skills; the XGB and random forest models yielded high accuracy rates (88.49% and 88.56%, respectively) that were not significantly different (two-sample t-test; P-value = 0.9).

Conclusion

These results underscore the potential of ML models to augment the objectivity and precision of RAS subtask and skill evaluation. Future research should consider exploring ways to optimize these models, particularly focusing on the classes identified as challenging in this study. Ultimately, this study marks a significant step towards a more refined, objective, and standardized approach to RAS training and competency assessment.
Energiewende-Forschung am Institut für Computertechnik – von Erkenntnissen aus der Pionierphase zu den heutigen Herausforderungen
Authors: Kupzog Friederich
Published: July 2024

Die Energiemarktliberalisierung hatte in Österreich gerade die Bereitstellung des Stromnetzes von der Stromerzeugung getrennt, als Wissenschaftler:innen am Institut für Computertechnik der TU Wien verschiedene Möglichkeiten ausloteten, die Energieversorgung durch Selbstorganisation und Koordination effizienter zu gestalten. Diese Arbeit beschäftigt sich mit den Erkenntnissen aus der Pionierphase der Smart Grids-Forschung an der TU Wien und zeigt, welche Rolle diese Themen für die heutigen Herausforderungen der Energiewende einnehmen.
Reversible SOCs als Bindeglied zwischen Strom-, Wärme- und Gasnetz und Plus Energie-Quartieren
Authors: Jankowski Dominik , Seidl Anton , Pratter Robert , Ganglbauer Johanna , Bernsteiner Christof , Hochenauer Christoph , Subotić Vanja
Published: July 2024

Zur Reduktion der CO2-Emissionen im Gebäudeenergiesektor sind alternative Energieerzeugungs- und Energiespeicherkonzepte notwendig. Technologien, die quartiersbezogen zentral sommerliche Überschussenergie aus Erneuerbaren Energien speichern und in weniger ertragreichen Monaten wieder in Strom und Wärme zurückwandeln, sind als Eigenschaften beispielsweise den Elektrolyse- bzw. Brennstoff-Zellensystemen zuzuordnen. Im Projekt Cell4Life wird ein solches System, bestehend aus einer reversibel arbeitenden Festoxidzelle (rSOC) theoretisch und im Labormaßstab im Kontext eines Plus Energie-Quartiers (PEQ) auf dessen funktionale Integrität hin untersucht. Ein Projektziel ist dabei die Optimierung der dynamischen Betriebsweise, für die es zum einen statischer Optimierungsversuche am Prüfstand und zum anderen Gesamtsystemsimulationen bedarf. In dieser Veröffentlichung wird vorgestellt, welche Betriebsweisen statisch optimiert und welche Systemkonzepte innerhalb einer Simulation untersucht werden. Für ein städtisches PEQ hat sich ein rSOC-System, das die Dampfelektrolyse im SOEC-Modus nutzt und im SOFC-Modus mit Wasserstoff und Methan betrieben wird, als am sinnvollsten erwiesen. Darüber hinaus werden reale Betriebsweisen aufbauend auf Wasserstoffbeimischungen in das örtliche Gasnetz in experimentellen Versuchen betrachtet. Basierend auf theoretischen Bedarfsdaten aus dem „PEQ21“ in Wien werden drei Optimierungsszenarien definiert, die neben dem Langzeit- auch den Kurzzeitbetrieb der rSOC-Anlage betrachten.
Psychosoziale Notfallversorgung nach Suizid und Tötung
Authors: Finkeldei Simon , Kern Tita , Rinne-Wolf Susanna
Published: July 2024

Hintergrund

Suizide, Suizidversuche, Tötungen und Tötungsversuche sind Indikationen für den Einsatz von Fachkräften der psychosozialen Notfallversorgung (PSNV). Von diesen Ereignissen sind oft auch Kinder und Jugendliche als Angehörige betroffen und fallen somit in den Betreuungsbereich der PSNV.

Material und Methoden

Ziel der hier vorgestellten Querschnittsstudie ist es, die Erfahrungen der Einsatzkräfte der PSNV in Einsätzen mit Kindern/Jugendlichen bei den Indexereignissen Suizid, Suizidversuch, Tötung und Tötungsversuch zu erheben, Belastungen aufseiten der Fachkräfte zu erkennen und eventuelle Bedarfe daraus abzuleiten. In einer Online-Befragung wurden Antworten von 506 Einsatzkräften der PSNV aus dem deutschsprachigen Raum erhoben. Diese Daten wurden sowohl deskriptiv als auch inferenzstatistisch ausgewertet.

Ergebnisse

Die Mehrheit der Einsatzkräfte hat Erfahrung mit den Einsatzindikationen Suizid, Suizidversuch, Tötung und Tötungsversuch. Einsätze mit diesen Indikationen werden als besonders belastend empfunden. Kinder gehören häufig zu den Betroffenen. Die empfundene Belastung der Einsatzkräfte steht im signifikanten Zusammenhang mit dem Wunsch nach mehr eigenen Kompetenzen im Bereich der Betreuung von Kindern/Jugendlichen nach diesen Indikationen. Mehr als 80 % der Befragten erachten die Einführung einer zentralen Notfallrufnummer für diese Indikationen sowohl für Familien als auch für Fachkräfte für sinnvoll.

Schlussfolgerungen

Fachkräfte der PSNV wünschen sich den Erwerb weiterer Kompetenzen im Bereich der psychosozialen Akuthilfe für Kinder und Jugendliche nach Suizid, Suizidversuch, Tötung und Tötungsversuch. Aus‑, Fort- und Weiterbildungsangebote können neben Fachkräften auch Betreuten zugutekommen. Es besteht ein Bedarf für unmittelbar erreichbare spezifische Unterstützung in Form einer Rückfallebene für Fachkräfte.
Influence of environmental settings, including vegetation, on speciation of the redox-sensitive elements in the sediments of monomictic Lake Kinneret
Authors: Kamyshny Alexey , Klein Rotem , Eckert Werner , Avetisyan Khoren
Published: July 2024

The redox conditions in the littoral limnic sediments may be affected by the penetration of plant roots which provide channels for oxygen transport into the sediment while decomposition of the dead roots results in consumption of oxygen. The goal of this work was to study the impact of environmental parameters including penetration of roots of Cyperus articulatus L. into the sediments on cycling of the redox-sensitive elements in Lake Kinneret. We measured roots content, porosity, and chemical parameters including pH, sulfur, iron and manganese speciation in the sediments from the shore, littoral and sublittoral zones with and without vegetation. Our results show that at ≥ 12 m water depth, the upper 10 cm of the sediments are affected by the active sulfur cycling with concentrations of hydrogen sulfide > 70 μM near the sediment–water interface. Speciation of sulfur, iron, and manganese in the upper 10 cm of littoral sediments, which are covered by < 20 cm of water, are affected by their permeability and, to a lesser extent, by roots penetration. In the case when sediments are not covered by water, oxygen penetration to the sediments by desiccation is an additional important control of the redox zonation in the surface sediments. In the shore sediments, despite relatively high concentrations of sulfate in the pore-waters, sulfur cycling may be described as “cryptic” as expressed by very low concentrations of hydrogen sulfide in the pore-waters. This is most likely a result of its fast reoxidation by the abundant highly reactive Fe(III) and Mn(IV) phases.