bluuebunny/crossref_metadata_2025_split huggingface dataset:
Solvothermal synthesis and supercapacitive properties of highly electrochemical stable covalent organic frameworks with triazine building block
Authors: Xiong Shanxin , Guo Jingru , Lv Fengyan , Zhao Xueni , Zhang Wei , Wang Xiaoqin , Hua Chunxia , Zhang Runlan , Chu Jia , Wang Chenxu , Gong Ming , Wu Bohua 
Published: August 2023

AbstractSupercapacitors have been widely studied as a typical representative of new energy storage systems. As a type of novel crystalline porous material, covalent triazine frameworks (CTFs) have attracted enormous attention owing to their high nitrogen content and unique triazine ring structure, which give them high chemical and thermal stability. In this paper, 2,4,6‐tris(4‐aldophenyl)‐1,3,5‐triazine (TFPT) and 2,4,6‐tris(4‐aminophenyl)‐1,3,5‐triazine (TAPT) were used to synthesize TPT‐CTFs by Schiff base reaction. TPT‐CTFs exhibit regular nanosheets structure and high crystallinity. The specific capacitance of TPT‐CTFs is 110 F/g at current density of 0.1 A/g. After 10,000 cycles of charge and discharge, the capacitance retention rate is high as 105%, due to the high crystallinity support and expandable channels of TPT‐CTFs. In addition, the simple and convenient one‐pot hydrothermal synthesis used in this paper, avoids harsh conditions of common ampoule methods for synthesis of CTFs materials.
Welcome to the big leaves: Best practices for improving genome annotation in non‐model plant genomes
Authors: Vuruputoor Vidya S. , Monyak Daniel , Fetter Karl C. , Webster Cynthia , Bhattarai Akriti , Shrestha Bikash , Zaman Sumaira , Bennett Jeremy , McEvoy Susan L. , Caballero Madison , Wegrzyn Jill L. 
Published: August 2023

AbstractPremiseRobust standards to evaluate quality and completeness are lacking in eukaryotic structural genome annotation, as genome annotation software is developed using model organisms and typically lacks benchmarking to comprehensively evaluate the quality and accuracy of the final predictions. The annotation of plant genomes is particularly challenging due to their large sizes, abundant transposable elements, and variable ploidies. This study investigates the impact of genome quality, complexity, sequence read input, and method on protein‐coding gene predictions.MethodsThe impact of repeat masking, long‐read and short‐read inputs, and de novo and genome‐guided protein evidence was examined in the context of the popular BRAKER and MAKER workflows for five plant genomes. The annotations were benchmarked for structural traits and sequence similarity.ResultsBenchmarks that reflect gene structures, reciprocal similarity search alignments, and mono‐exonic/multi‐exonic gene counts provide a more complete view of annotation accuracy. Transcripts derived from RNA‐read alignments alone are not sufficient for genome annotation. Gene prediction workflows that combine evidence‐based and ab initio approaches are recommended, and a combination of short and long reads can improve genome annotation. Adding protein evidence from de novo assemblies, genome‐guided transcriptome assemblies, or full‐length proteins from OrthoDB generates more putative false positives as implemented in the current workflows. Post‐processing with functional and structural filters is highly recommended.DiscussionWhile the annotation of non‐model plant genomes remains complex, this study provides recommendations for inputs and methodological approaches. We discuss a set of best practices to generate an optimal plant genome annotation and present a more robust set of metrics to evaluate the resulting predictions.
Regional precipitation index: Method analysis and application over Greece
Authors: Lagouvardos K. , Papavasileiou G. , Papagiannaki K. , Dafis S. , Galanaki E. , Giannaros T. M. , Koletsis I. , Kotroni V. 
Published: August 2023

AbstractThe current work focuses on the development of a regional precipitation index (RPI) to rank precipitation events in Greece, with the goal of identifying the most severe weather events in terms of their potential to cause socioeconomic impacts. The study is motivated by the increasing occurrence of extreme weather events and accompanying hydrogeological phenomena worldwide, which have caused significant infrastructure damage and loss of life. The analysis is based on the exploitation of the ERA‐Land high‐resolution rainfall dataset, covering the period from 1991 to 2020, while it considers both the area and the population affected by each rainfall event. The study provides a categorization of the ranked storms based on the percentiles of all non‐zero RPI values and highlights the socioeconomic impacts of the most severe weather events. The findings suggest that the developed RPI can be a useful tool for early warning systems and risk management strategies, particularly for emergency preparedness and response. The resulting ranking procedure has been applied operationally by the METEO unit of the National Observatory of Athens since fall 2021.
Synthesis and chemiluminescent characteristics of two new acridinium esters
Authors: Smith Keith , Mu Xiaojing , Li Zhaoqiang , Woodhead J. Stuart , El‐Hiti Gamal A. 
Published: August 2023

AbstractTwo new acridinium esters with a 2‐(succinimidyloxycarbonyl)ethyl side arm, namely, 9‐(2,6‐dibromophenoxycarbonyl)‐10‐methyl‐2‐(2‐(succinimidyloxycarbonyl)ethyl)acridinium trifluoromethanesulfonate and 9‐(4‐(2‐(succinimidyloxycarbonyl)ethyl)phenoxycarbonyl)‐2,7‐dimethoxy‐10‐methylacridinium triflate, have been produced and characterized. The chemiluminescent properties and hydrolytic stabilities of the new acridinium esters have been investigated.
The role of electronic waste management solutions and message framing in influencing consumer behaviours: Exploring the crowdfunding context
Authors: Testa Stefania , Troise Ciro , Cincotti Silvano , Camilleri Mark Anthony 
Published: August 2023

AbstractElectronics waste (e‐waste) is the fastest growing category of hazardous solid waste in the world. While the generation of e‐waste has recently attracted the attention of a number of researchers, currently, there is little awareness on its management, monitoring, and control among the consumers of crowdfunding platforms. This is surprising because the supporters (backers) of crowdfunding are usually considered as disruptive innovators by other stakeholders. In this light, this research explores the role of e‐waste management solutions and the formulation of “message framing” in influencing consumer behaviours in crowdfunding contexts. To do this, this study involves an in‐depth investigation of fund‐raising campaigns focused on e‐waste, which were promoted between 2009 and 2020, through Kickstarter's reward‐based crowdfunding platform. The results show that environmentally sustainable projects focused on waste reduction and pollution prevention are generating increased funds and triggering the interest of a number of crowd investors who are willing to finance such laudable initiatives. At the same time, the findings suggest that the fundraisers' elaborate framing messages on environmental protection and on the preservation of the natural eco‐systems can increase the likelihood of the success of their crowdfunding projects. This contribution contributes to both environmental management and to the crowdfunding literature. In conclusion, it offers practical implications for sustainable entrepreneurs who may resort to crowdfunding platforms to raise finance to decrease the accumulation of e‐waste from the planet, as well as for other stakeholders including governments, policymakers, and public agencies.
Recent Progress and Application of Freeze Dryers for Agricultural Product Drying
Authors: Salehi Fakhreddin 
Published: August 2023

AbstractThe impact of various freeze‐drying (FD) methods on the drying efficiency and quality of dried fruits and vegetables is reviewed. Additionally, a brief overview of recent advances in FD methods is provided. The FD technique is characterized by the following key properties: ability to maintain original texture and color, the highest nutritional value, and appropriate rehydration rate due to the porous tissue of the product. Recently, various combination methods have been tested to improve the drying speed and save energy when FD fruits and vegetables. This includes combining FD systems with other techniques such as ultrasound, microwave, vacuum, infrared radiation, pulsed electric field (PEF), and CO2 laser perforation. Combined benefits of these technologies include increased mass transfer rates, shorter dehydration time, energy savings, improved product quality, lower shrinkage, higher rehydration capacity, and flexibility to dry and manufacture the many types of dried fruits and vegetables pieces.
Highly Enantioselective Synthesis of Pharmaceuticals at Chiral‐Encoded Metal Surfaces
Authors: Somsri Supattra , Suwankaisorn Banyong , Yomthong Krissanapat , Srisuwanno Wanmai , Klinyod Sorasak , Kuhn Alexander , Wattanakit Chularat 
Published: August 2023

AbstractEnantioselective catalysis is of crucial importance in modern chemistry and pharmaceutical science. Although various concepts have been used for the development of enantioselective catalysts to obtain highly pure chiral compounds, most of them are based on homogeneous catalytic systems. Recently, we successfully developed nanostructured metal layers imprinted with chiral information, which were applied as electrocatalysts for the enantioselective synthesis of chiral model compounds. However, so far such materials have not been employed as heterogeneous catalysts for the enantioselective synthesis of real pharmaceutical products. In this contribution, we report the asymmetric synthesis of chiral pharmaceuticals (CPs) with chiral imprinted Pt−Ir surfaces as a simple hydrogenation catalyst. By fine‐tuning the experimental parameters, a very high enantioselectivity (up to 95 % enantiomeric excess) with good catalyst stability can be achieved. The designed materials were also successfully used as catalytically active stationary phases for the continuous asymmetric flow synthesis of pharmaceutical compounds. This illustrates the possibility of producing real chiral pharmaceuticals at such nanostructured metal surfaces for the first time.
Synthesis and VCD Spectroscopic Characterization of a Series of Azacryptands from a Chiral Valine‐Based Derivative of Tris(2‐aminoethyl)amine (TREN)
Authors: Müller Clemens , Scholten Kevin , Engelage Elric , Merten Christian 
Published: August 2023

AbstractUtilizing experimental and computational vibrational circular dichroism (VCD) spectroscopy, we explored the conformational preferences of a series of chiral C3‐symmetric octaazacryptands with tris(2‐aminoethyl)‐amine head groups derived from valine. While the spectra of the smallest azacryptand with p‐phenyl linkers and its elongated derivative with p‐biphenyls linker were found to match well with the computed spectra, the computed conformational preferences of the m‐biphenyl‐based azacryptand did not seem to reflect the conformations dominating in chloroform solution. A detailed analysis revealed that structural changes resulting in a collapsed cage structure gave a notably better match with the experiment. It could subsequently be concluded from the VCD analysis, that the octaazacryptands prefer a collapsed structure, which is not predicted by density functional theory (DFT) calculations as the global minimum structures. These findings are expected to have consequences also for future studies on inclusion complexes of such azacryptands.
Molecular Simulations of the Chain Length Dependent Adsorption of C7‐C14 n‐Alkanes in ZIF‐8
Authors: Gopalan Arun , Snurr Randall Q. 
Published: August 2023

AbstractRecent experiments show that the diffusivities of C8 and C10 n‐alkanes in ZIF‐8 are higher than those of C7 and C9, respectively. We investigated this unusual ‘odd‐even' effect by simulating the adsorption of C7‐C14 n‐alkanes in ZIF‐8 using hybrid Monte Carlo molecular simulations. The resultant adsorption isotherms, guest‐host energies, isosteric heats, and chain length distributions are analyzed for trends among the n‐alkanes. ZIF‐8 cages filled with n‐alkanes are characterized using a combination of image processing and data science to quantify the differences in packing that occur with chain length. Results indicate that packing changes drastically from C7 to C8 and from C9 to C10, which is consistent with the diffusion trends previously reported in experiments.
DNA methylation profile discriminates sporadic giant cell granulomas of the jaws and cherubism from their giant cell‐rich histological mimics
Authors: Guimarães Letícia Martins , Baumhoer Daniel , Andrei Vanghelita , Friedel Dennis , Koelsche Christian , Gomez Ricardo Santiago , von Deimling Andreas , Gomes Carolina Cavalieri 
Published: August 2023

AbstractSporadic giant cell granulomas (GCGs) of the jaws and cherubism‐associated giant cell lesions share histopathological features and microscopic diagnosis alone can be challenging. Additionally, GCG can morphologically closely resemble other giant cell‐rich lesions, including non‐ossifying fibroma (NOF), aneurysmal bone cyst (ABC), giant cell tumour of bone (GCTB), and chondroblastoma. The epigenetic basis of these giant cell‐rich tumours is unclear and DNA methylation profiling has been shown to be clinically useful for the diagnosis of other tumour types. Therefore, we aimed to assess the DNA methylation profile of central and peripheral sporadic GCG and cherubism to test whether DNA methylation patterns can help to distinguish them. Additionally, we compared the DNA methylation profile of these lesions with those of other giant cell‐rich mimics to investigate if the microscopic similarities extend to the epigenetic level. DNA methylation analysis was performed for central (n = 10) and peripheral (n = 10) GCG, cherubism (n = 6), NOF (n = 10), ABC (n = 16), GCTB (n = 9), and chondroblastoma (n = 10) using the Infinium Human Methylation EPIC Chip. Central and peripheral sporadic GCG and cherubism share a related DNA methylation pattern, with those of peripheral GCG and cherubism appearing slightly distinct, while central GCG shows overlap with both of the former. NOF, ABC, GCTB, and chondroblastoma, on the other hand, have distinct methylation patterns. The global and enhancer‐associated CpG DNA methylation values showed a similar distribution pattern among central and peripheral GCG and cherubism, with cherubism showing the lowest and peripheral GCG having the highest median values. By contrast, promoter regions showed a different methylation distribution pattern, with cherubism showing the highest median values. In conclusion, DNA methylation profiling is currently not capable of clearly distinguishing sporadic and cherubism‐associated giant cell lesions. Conversely, it could discriminate sporadic GCG of the jaws from their giant cell‐rich mimics (NOF, ABC, GCTB, and chondroblastoma).
High‐dimensional model averaging for quantile regression
Authors: Xie Jinhan , Ding Xianwen , Jiang Bei , Yan Xiaodong , Kong Linglong 
Published: August 2023

AbstractThis article considers robust prediction issues in ultrahigh‐dimensional (UHD) datasets and proposes combining quantile regression with sequential model averaging to arrive at a quantile sequential model averaging (QSMA) procedure. The QSMA method is made computationally feasible by employing a sequential screening process and a Bayesian information criterion (BIC) model averaging method for UHD quantile regression and provides a more accurate and stable prediction of the conditional quantile of a response variable. Meanwhile, the proposed method shows effective behaviour in dealing with prediction in UHD datasets and saves a great deal of computational cost with the help of the sequential technique. Under some suitable conditions, we show that the proposed QSMA method can mitigate overfitting and yields reliable predictions. Numerical studies, including extensive simulations and a real data example, are presented to confirm that the proposed method performs well.
Quantification of CO and Further CO2 Reduction Products by On‐line Mass Spectrometry
Authors: Englhard Jonas , Bachmann Julien 
Published: August 2023

AbstractThe reduction of CO2 in water can yield a variety of volatile products mixed with the starting material and often dinitrogen as an inert gas. While mass spectrometry is ideally suited to the quantitative analysis of gases in low concentrations, the simultaneous detection is usually performed with a preliminary chromatographic separation. In its absence, the mass spectrometric signal at m/z=28 can be due to CO, CO2, and N2. Here, we demonstrate that ionizing the mixture of reaction products under 16 eV results in the selective detection of CO at m/z=28, at the complete exclusion of CO2 and N2. This method is applicable to headspace analysis after a bulk electrolysis and delivers product compositions as they depend on catalyst and applied potential. Furthermore, its immediate nature also enables the experimentalist to perform, in real time, a direct monitoring of the reaction products generated during cyclic voltammetry.
Electrochemical Direct C−H Halogenation of N‐Heteroarenes and Naphthols
Authors: Tao Pan , Li Yujun , Zheng Ke 
Published: August 2023

AbstractIn this study, we present a straightforward and environmentally friendly electrochemical approach for achieving selective halogenation of N‐heteroarenes, including indoles, diazoles, pyrroles, quinolinone, and naphthols. Our method utilizes commercially available and affordable ammonium halides as halogen source. A library of valuable halogenated N‐heteroarenes can be synthesized in moderate to excellent yields under mild conditions (transition‐metal‐free, oxidant‐free, ethanol as solvent, atmospheric environment). The approach demonstrates a broad substrate scope, excellent tolerance towards various functional groups, and scalability.
Photocatalyzed Energy Transfer for Atom Economical Synthesis of O‐Bridged Tricyclo‐Fused Cyclopropane Derivatives
Authors: Sinha Prashant Kumar , Reddy Manyam Subbi , Behera Purna Chandra , Nanubolu Jagadeesh Babu , Suresh Surisetti 
Published: August 2023

AbstractHerein, we have disclosed a feasible approach to access oxygen bridged tricycle‐fused cyclopropane derivatives via visible light mediated photocatalyzed energy transfer process. This protocol describes one step multi‐fused ring formation under mild reaction conditions to furnish a wide range of the fused cyclopropane derivatives in moderate to high yields with excellent diastereoselectivities.
Design seismic track irregularity for high‐speed railways
Authors: Yu Jian , Zhou Wangbao , Jiang Lizhong , Yan Wen , Liu Xiang 
Published: August 2023

AbstractThere has been no consensus on post‐earthquake operating plan for high‐speed railway trains. In this paper, two three‐dimensional coupling model of track‐bridge system without and with trains for high‐speed railways were developed, and their performance were verified based on shaking table tests. The equivalent method of design seismic track irregularity for random structures was discussed, and the amplitude response spectra of design seismic track irregularity for all levels of seismic intensity were proposed. In addition, the rationality of design seismic track irregularity was evaluated based on engineering case analysis, providing a theoretical foundation of formulating post‐earthquake contingency plans for high‐speed railways. The results show that when span number increases, the design seismic track irregularity amplitude increases and then tends to be stable; when the span number reaches 9, the train dynamic response gradually becomes stable; the random structures with arbitrary span numbers are equivalent to a specific 9‐span structure when constructing design seismic track irregularity. When the seismic intensity is low, there is no significant difference in shape and amplitude between the measured pre‐earthquake and post‐earthquake track alignment irregularities, and the train can normally run with no significant deceleration required. The train dynamic response under the design post‐earthquake track irregularity is greater than that under the measured post‐earthquake track irregularity, indicating that the design seismic track irregularity has a reasonable safety margin and a good feasibility in engineering practice.
Effect of composition on the structure and digestibility of starch in Idli batter
Authors: Roy Leeann , Reshmi Somanathan Karthiga , Moses Jeyan Arthur , Anandharamakrishnan Chinnaswamy 
Published: August 2023

AbstractThis study investigates the effects of varying the proportion of parboiled rice, raw rice, mixed rice, and black gram on idli batter structure and starch digestibility. A total of six different batters (batters 1 to 6) were prepared by varying the composition of raw material. Batter 1 (Parboiled Rice: Black gram dal: Baking soda), Batter 2 (Parboiled Rice: Black gram dal: Yeast), Batter 3 (Parboiled Rice: Raw Rice: Mixed Rice: Black gram dal), Batter 4 (Raw Rice: Mixed Rice: Black gram dal), Batter 5 (Raw rice: Yeast) and Batter 6 (Parboiled Rice: Black gram dal). In comparison to the other five batters, batter 6 (parboiled rice (3): Black gram dal (1)) exhibited superior texture, sensory, enzyme activity, and better digestibility. Structure changes in starch for batter 6 were noticeable until day five and complete degradation was observed after day seven, whereas in other batters, the structure degraded from 3rd day of storage. Batter 6 exhibited the highest protein content (0.6 mg/g to 0.3 mg/g) and lowest reducing sugar content (4.51 mg/g to 6.66 mg/g) from day 1 to day 7 of the storage period. The difference in amylose content from day 1 to day 7 (27.80% to 26.75%) was low compared to others. The starch digestibility index of batter 6 was 40.35% on day 1 and 68.96% on day 7 which was comparatively less compared to other prepared batters. As a result, the proportion of dal and parboiled rice used in batter preparation significantly influences its storage, digestibility, and enzyme activity. Thus, studying the method and proportion of idli preparation helps us understand how the batter is stored, digested, and modified, thereby improving our understanding of Indian cuisine.