bluuebunny/crossref_metadata_2025_split huggingface dataset:
Scanning Probe Microscopy Characterization of Biomolecules enabled by Mass‐Selective, Soft‐landing Electrospray Ion Beam Deposition
Authors: Seibel Johannes , Anggara Kelvin , Delbianco Martina , Rauschenbach Stephan 
Published: July 2024

AbstractScanning probe microscopy (SPM), in particular at low temperature (LT) under ultra‐high vacuum (UHV) conditions, offers the possibility of real‐space imaging with resolution reaching the atomic level. However, its potential for the analysis of complex biological molecules has been hampered by requirements imposed by sample preparation. Transferring molecules onto surfaces in UHV is typically accomplished by thermal sublimation in vacuum. This approach however is limited by the thermal stability of the molecules, i. e. not possible for biological molecules with low vapour pressure. Bypassing this limitation, electrospray ionisation offers an alternative method to transfer molecules from solution to the gas‐phase as intact molecular ions. In soft‐landing electrospray ion beam deposition (ESIBD), these molecular ions are subsequently mass‐selected and gently landed on surfaces which permits large and thermally fragile molecules to be analyzed by LT‐UHV SPM. In this concept, we discuss how ESIBD+SPM prepares samples of complex biological molecules at a surface, offering controls of the molecular structural integrity, three‐dimensional shape, and purity. These achievements unlock the analytical potential of SPM which is showcased by imaging proteins, peptides, DNA, glycans, and conjugates of these molecules, revealing details of their connectivity, conformation, and interaction that could not be accessed by any other technique.
Can Electrochemical Impedance Spectroscopy be Replaced by Direct Current Techniques in Battery Diagnosis?
Authors: Guo Jia , Xu Yaolin , Li Pengwei , Pedersen Kjeld , Gaberšček Miran , Stroe Daniel‐Ioan 
Published: July 2024

AbstractElectrochemical impedance spectroscopy (EIS), a conventional and alternating‐current‐(AC)‐based technique for impedance measurement, is commonly used in battery diagnosis. However, it requires expensive equipment and demanding operating conditions and is complex and model‐dependent in data analysis. Recently, novel direct current (DC) analytics have emerged as an alternative to EIS. They are simple yet powerful, being capable of revealing impedance information that traditionally could only be obtained through EIS and determining Li‐ion diffusion coefficient. Besides, a complete EIS spectrum can be predicted based on constant current charging curves in the support of machine learning methods. This work highlights the similarities and discrepancies between DC techniques and EIS in the electrochemical analysis of Li‐ion batteries. Looking ahead, DC techniques may be a promising substitute for EIS in future battery diagnosis, requiring simplified equipment while offering a deep understanding of battery impedance and its underlying electrochemical processes.
Beryllium as a Base: Complexes of Be(CO)3 with HX (X=F, Cl, Br, CN, NC, CCH, OH)
Authors: Martín‐Fernández Carlos , Elguero José , Alkorta Ibon 
Published: July 2024

AbstractBeryllium chemistry is typically governed by its electron deficient character, but in some compounds it can act as a base. In order to understand better the unusual basicity of Be, we have systematically explored the complexes of one such compound, Be(CO)3, towards several hydrogen bond donors HX (X=F, Cl, Br, CN, NC, CCH, OH). For all complexes we find three different minima, two hydrogen bonded minima (to the Be or O atoms), and one weak beryllium bonded minimum. Further characterization of the interactions using a topological analysis of the electron density and Symmetry Adapted Perturbation Theory (SAPT) provide insight into the nature of these interactions. Overall these results highlight the capability of certain beryllium compounds to act as either a weak Lewis acid or, unconventionally, a Lewis base whose basicity towards hydrogen bonding is comparable to that of π systems.
Stereocontrol of Metal‐Centred Chirality in Rhodium(III) and Ruthenium(II) Complexes with N2N'P Ligand
Authors: Barriendos Irati , Almárcegui Íber , Carmona María , Tejero Alvaro G. , Soriano‐Jarabo Alejandro , Blas Carlota , Aguado Zulima , Carmona Daniel , Lahoz Fernando J. , García‐Orduña Pilar , Viguri Fernando , Rodríguez Ricardo 
Published: July 2024

AbstractRh(III) and Ru(II) complexes, [RhCl2(κ4‐N2N'P‐L)][SbF6] (1) and [RuCl2(κ4‐N2N'P‐L)] (2), were synthesised using the tetradentate ligand L (L=N,N‐bis[(pyridin‐2‐yl)methyl]‐[2‐(diphenylphosphino)phenyl]methanamine). In each case only one diastereomer is detected, featuring cis‐disposed pyridine groups. The chloride ligand trans to pyridine can be selectively abstracted by AgSbF6, with the ruthenium complex (2) reacting more readily at room temperature compared to the rhodium complex (1) which requires elevated temperatures. Rhodium complexes avoid the second chloride abstraction, whereas ruthenium complexes can form the chiral bisacetonitrile complex [Ru(κ4‐N2N'P‐L)(NCMe)2][SbF6]2 (5) upon corresponding treatment with AgSbF6. The complex [RhCl2(κ4‐N2N'P‐L)][SbF6] (1) has also been used to synthesise polymetallic species, such as the tetrametallic complex [{RhCl2(κ4‐N2N'P‐L)}2(μ‐Ag)2][SbF6]4 (6) which was formed with complete diastereoselectivity and chiral molecular self‐recognition. In addition, a stable bimetallic mixed‐valence complex [{Rh(κ4‐N2N'P‐L)}{Rh(COD)}(μ‐Cl)2][SbF6]2 (7) (COD=cyclooctadiene) was synthesised. These results highlight the significant differences in chloride lability between Rh3+ and Ru2+ complexes and demonstrate the potential for complexes to act as catalyst precursors and ligands in further chemistry applications.
A Call for More Culture‐Based Research to Understand Body Dissatisfaction and Disordered Eating in Men: Commentary on Monocello et al. (2024)
Authors: He Jinbo , Barnhart Wesley R. 
Published: July 2024

ABSTRACTUsing culture‐based approaches, Monocello et al. revealed that young Korean men generally shared the same perceptions of fatness, including three categories (“too thin,” “balanced,” and “too fat”). The “balanced” category was most consistent with local South Korean culture, and the “too fat” category was associated with higher body dissatisfaction and disordered eating. Even though cultural differences in body ideals are an essential factor to consider in the development of body dissatisfaction and disordered eating, little research has applied culture‐based approaches to explore body ideals in men, including how these ideals may be related to men's body image or eating behaviors. Thus, Monocello et al.'s work is a timely and vital contribution to the literature. In this commentary, we expand on Monocello et al.'s work by not only illustrating the roles of local cultures but also introducing the potential influences of external cultures via acculturation in shaping body ideals which, in turn, contribute to body dissatisfaction and disordered eating in men. We also provide future research directions to call for more culture‐based research to understand body dissatisfaction and disordered eating among men in different cultural contexts.
G‐space versus E‐space: Are hornets (Hymenoptera: Vespidae) at equilibrium with honeybees in Asia?
Authors: Rahimi Ehsan , Jung Chuleui 
Published: July 2024

AbstractThis study delves into the concept of niche conservatism (NC) and its implications for how hornets (Hymenoptera: Vespidae) and honeybees respond to climate change. Our primary objectives are threefold: firstly, to assess whether distinct environmental niche spaces (E‐space) exist between 12 hornets and honeybees like Apis cerana and Apis mellifera in Asia; Secondly, to explore the degree to which Asian hornets have attained geographic equilibrium alongside honeybee species. Lastly, is to investigate how the geographic niche overlap (G‐space) between hornets and honeybees could potentially change under climate change scenarios. To accomplish these goals, we employed ordination and ecological niche modeling techniques to analyze 91 pairs of hornets and honeybees in both geographic (G‐space) and environmental (E‐space) contexts. Then, we projected the potential impacts of climate change on the future geographic overlap between hornets and honeybees, specifically under the SSP585 climate scenario for the year 2070. Our results demonstrated that the environmental niches (E‐space) of hornets and honeybees can be treated as interchangeable, indicating they have similar environmental preferences despite being unrelated taxa. We found that Vespa velutina currently exhibits a moderate geographic niche overlap (G‐space) of 0.63 with both honeybee species. Meanwhile, Vespa mandarinia demonstrates an overlap of 0.46 with Apis cerana and 0.63 with Apis mellifera. The overlap of Vespa velutina with Apis cerana might potentially decrease to 0.51 and 0.56 with Apis mellifera. For Vespa mandarinia, the overlap could reach 0.41 with Apis cerana and 0.6 with Apis mellifera under a climate change scenario. This study indicates that the limited spatial overlap between honeybees and hornets across certain areas in Asia is more likely influenced by geographical barriers rather than solely environmental unsuitability for hornets. In this study, we delve into the concept of niche conservatism (NC) and its implications for how hornets (Hymenoptera: Vespidae) and honeybees respond to climate change.
Hydrocyanation of Non‐Activated Alkenes Without Handling HCN
Authors: Chinchilla Rafael , Baeza Alejandro 
Published: July 2024

AbstractThe hydrocyanation of alkenes can be considered a straightforward methodology that gives access to different functionalized organic chemistry entities. This is due to nitrile's high versatility, which can easily undergo further transformations. However, this process has traditionally employed hazardous hydrogen cyanide as the hydrocyanation agent. Therefore, in the last decades, different protocols have been developed to accomplish this key organic transformation without needing to handle HCN. In this review, we aim to gather the most recent works published in the last couple of decades regarding the hydrocyanation of non‐activated olefins in the absence of gaseous hydrogen cyanide as nitrile source. In addition, special attention has been paid to the reaction mechanism working in each case.
Determinants of malt barley varietal adoption decisions of farmers: Evidence from the central highlands of Ethiopia
Authors: Haile Mekonen , Abay Fetien , Bishaw Zewdie , Lakew Berhane , Tsehaye Yemane 
Published: July 2024

AbstractBarley is one of Ethiopia's most important cereal crops, ranking fifth in total cereal production, after maize, wheat, teff, and sorghum. Based on its intended use, it is divided into two types: food barley and malt barley. This study investigated the factors that affect farmers' decisions to adopt malt barley technology. The research was conducted in eight major malt barley‐growing districts in the central highlands of Ethiopia. Data were collected from both primary and secondary sources. A structured questionnaire was used to obtain quantitative data from 400 sample farmers. Key informant interviews and focus group discussions were conducted to triangulate and substantiate the quantitative data. Secondary data were also used to supplement the primary data. The data were analyzed using descriptive statistics and econometric models. A logistic regression model was employed to analyze quantitative data. The findings revealed that educational level of the household head, family size of the household, access to input, experience, and access to demanded variety all have a positive and significant impact on malt barley technology adoption. However, the age of the household head, income from off‐farm activities, and distance to the market have a negative and significant impact on farmers' decisions to use malt barley technology. Up to 2021, about 30 malt barley varieties were released or registered by the Ministry of Agriculture for production nationwide, while only six to seven varieties were adopted by the sampled farmer households. As a result, we concluded that strong government support and clear policy direction are required to encourage farmers and other stakeholders to invest more to enhance adoption of improved varieties across malt barley growing areas.
A comprehensive review of molecular dynamics simulation on the replacement characteristics and mechanism of CO2‐CH4 hydrate in porous media systems
Authors: Zhang Xuemin , Huang Tingting , Shan Tao , Yuan Qing , Li Jinping , wu Qingbai , Zhang Peng 
Published: July 2024

AbstractNatural gas hydrate (NGH), is a new green‐sustainable energy source, and the process of recovering CH4 from NGH by replacing CO2 is regarded as an advantageous way to mine NGH. However, improving the replacement efficiency of CO2‐CH4 hydrate is a critical problem in the CO2 replacement mining process. The feasibility study of the replacement for CO2‐CH4 hydrate, as well as the research status of the replacement characteristics for various situations, is examined in this review. Additionally, the microscopic mechanism of CO2‐CH4 hydrate replacement in porous media is explored in detail. The basic molecular dynamic (MD) simulation method and primary influencing factors of CO2‐CH4 hydrate replacement were summarized systematically. Finally, the shortcomings of MD simulation of CO2‐CH4 hydrate replacement process in porous medium system and the future development direction are pointed out. The relevant results will offer helpful direction for future NGH exploitation. © 2024 Society of Chemical Industry and John Wiley & Sons, Ltd.
Measuring functional connectivity in frequency‐domain helps to better characterize brain function
Authors: Peng Limin , Su Jianpo , Hu Dewen , Yu Yang , Wei Huilin , Li Ming 
Published: July 2024

AbstractResting‐state functional connectivity (FC) is widely used in multivariate pattern analysis of functional magnetic resonance imaging (fMRI), including identifying the locations of putative brain functional borders, predicting individual phenotypes, and diagnosing clinical mental diseases. However, limited attention has been paid to the analysis of functional interactions from a frequency perspective. In this study, by contrasting coherence‐based and correlation‐based FC with two machine learning tasks, we observed that measuring FC in the frequency domain helped to identify finer functional subregions and achieve better pattern discrimination capability relative to the temporal correlation. This study has proven the feasibility of coherence in the analysis of fMRI, and the results indicate that modeling functional interactions in the frequency domain may provide richer information than that in the time domain, which may provide a new perspective on the analysis of functional neuroimaging.
Multi‐scale brain attributes contribute to the distribution of diffuse glioma subtypes
Authors: Ren Peng , Bao Hongbo , Wang Shuai , Wang Yinyan , Bai Yan , Lai Jiacheng , Yi Liye , Liu Qing , Li Wenting , Zhang Xinyu , Sun Lili , Liu Qiuyi , Cui Xuehua , Zhang Xiushi , Liang Peng , Liang Xia 
Published: July 2024

AbstractGliomas are primary brain tumors and are among the most malignant types. Adult‐type diffuse gliomas can be classified based on their histological and molecular signatures as IDH‐wildtype glioblastoma, IDH‐mutant astrocytoma, and IDH‐mutant and 1p/19q‐codeleted oligodendroglioma. Recent studies have shown that each subtype of glioma has its own specific distribution pattern. However, the mechanisms underlying the specific distributions of glioma subtypes are not entirely clear despite partial explanations such as cell origin. To investigate the impact of multi‐scale brain attributes on glioma distribution, we constructed cumulative frequency maps for diffuse glioma subtypes based on T1w structural images and evaluated the spatial correlation between tumor frequency and diverse brain attributes, including postmortem gene expression, functional connectivity metrics, cerebral perfusion, glucose metabolism, and neurotransmitter signaling. Regression models were constructed to evaluate the contribution of these factors to the anatomic distribution of different glioma subtypes. Our findings revealed that the three different subtypes of gliomas had distinct distribution patterns, showing spatial preferences toward different brain environmental attributes. Glioblastomas were especially likely to occur in regions enriched with synapse‐related pathways and diverse neurotransmitter receptors. Astrocytomas and oligodendrogliomas preferentially occurred in areas enriched with genes associated with neutrophil‐mediated immune responses. The functional network characteristics and neurotransmitter distribution also contributed to oligodendroglioma distribution. Our results suggest that different brain transcriptomic, neurotransmitter, and connectomic attributes are the factors that determine the specific distributions of glioma subtypes. These findings highlight the importance of bridging diverse scales of biological organization when studying neurological dysfunction.
The contribution of childhood trauma to irritability symptoms
Authors: Grasser Lana Ruvolo , Yang Ruiyu , Brotman Melissa A. , Wiggins Jillian Lee 
Published: July 2024

AbstractBackgroundIrritability is a transdiagnostic psychiatric phenotype defined as an increased proneness to anger relative to peers. Trauma is defined as actual or threatened death, serious injury, or sexual violence while adversity more broadly describes difficult or challenging situations including abuse, neglect, and household dysfunction. Irritability [or aggression] is symptom of posttraumatic stress disorder (PTSD) and may arise in response to trauma or traumatic events. Responses to negative early life experiences may differ based on the type of exposure, for example, threat (abuse) versus deprivation (neglect), with implications for development of psychopathology. Therefore, the objective of this study was to investigate the relation between exposure to threat and deprivation, and irritability in a predominantly Hispanic/Latin sample. We hypothesized unique effects of threat versus deprivation on irritability.MethodsWe investigated relations between threat and deprivation aspects of childhood trauma (within each dimension) and later irritability in a sample of n = 48 (26F) youth ages 9–19 (Mage = 14.89, SD = 2.04) recruited based on trauma exposure. Multivariate regression tested the unique effects of threat and deprivation (measurement: Childhood Trauma Questionnaire) on irritability (measurement: Affective Reactivity Index).ResultsGreater threat exposure was associated with more severe self‐reported irritability, F(1,46) = 8.64, B = 0.40, R2 = 0.14, p = 0.005. Findings remained significant after controlling for values of excessive influence and the non‐significant effect of gender (B = 0.25, t = 1.88, p = 0.067). When looking at the unique effects of threat adjusted for deprivation, the relation between threat and irritability remained significant, B = 0.35, t = 2.45, p = 0.019. There was no significant association between deprivation and irritability, F(1,46) = 3.35, B = 0.26, R2 = 0.05, p = 0.074.ConclusionsExposure to threat, but not deprivation, may increase risk for irritability in youth. Early life experiences should be considered in assessment and treatment of youth with clinically impairing irritability. Transdiagnostic treatments targeting irritability should be tested for youth with trauma exposure who do not meet criteria for post‐traumatic stress disorder.
Subdivision of pT1N0 (American Joint Committee on Cancer 8th edition) distal cholangiocarcinoma for adjuvant chemotherapy consideration
Authors: Otsuka Shimpei , Sugiura Teiichi , Ashida Ryo , Ohgi Katsuhisa , Yamada Mihoko , Kato Yoshiyasu , Yumiko Kageyama , Ohike Nobuyuki , Sugino Takashi , Uesaka Katsuhiko 
Published: July 2024

AbstractBackgroundThe adjuvant S‐1 trial affirmed adjuvant chemotherapy for biliary tract cancer but excluded pT1N0 distal cholangiocarcinoma (DCC) according to the seventh edition of the American Joint Committee on Cancer (AJCC) classification. The introduction of tumor depth of invasion (DOI) for T‐classification in the eighth edition complicates identifying DCC patients less likely to benefit from adjuvant chemotherapy.MethodsOur cohort consisted of 185 patients with DCC who underwent pancreaticoduodenectomy between 2002 and 2019. We compared clinicopathological factors and survival outcomes between pT1N0 patients in the seventh edition and those in the eighth edition. New DOI cutoffs for subdividing pT1N0 (8th edition) patients were evaluated to identify patients less likely to benefit from adjuvant chemotherapy.ResultsTransitioning to the eighth edition increased in pT1N0 cases from eight to 46. The 5‐year cumulative recurrence rates of them were 14.3% for the seventh edition and 28.3% for the eighth edition. We proposed a DOI cutoff of <2 mm, at which the 5‐year cumulative recurrence rate was 11.5%.ConclusionThe eighth AJCC classification revealed that a significant proportion of pT1N0 DCC patients were at risk for recurrence. A DOI cutoff of <2 mm may be considered to potentially improve patient selection for adjuvant chemotherapy.
Changes in cerebrospinal fluid proteome of patients with tick‐borne encephalitis
Authors: Gęgotek Agnieszka , Moniuszko‐Malinowska Anna , Groth Monika , Skrzydlewska Elżbieta 
Published: July 2024

AbstractTick‐borne encephalitis (TBE) is one of the main diseases transmitted by ticks, the incidence of which is increasing. Moreover, its diagnosis and therapy are often long and difficult according to nonspecific symptoms and complex etiology. This study aimed to observe changes in the proteome of cerebrospinal fluid from TBE patients. Cerebrospinal fluid (CSF) of TBE patients (n = 20) and healthy individuals (n = 10) was analyzed using a proteomic approach (QExactiveHF‐Orbitrap mass spectrometer) and zymography. Obtained results show that in CSF of TBE patients, the top‐upregulated proteins are involved in pro‐inflammatory reaction (interleukins), as well as antioxidant/protective response (peroxiredoxins, heat shock proteins). Moreover, changes in the proteome of CSF are not only the result of this disease development, but they can also be an indicator of its course. This mainly applies to proteins involved in proteolysis including serpins and metalloproteinases, whose activity is proportional to the length of patients' convalescence. The obtained proteomic data strongly direct attention to the changes caused by the development of TBE to antioxidant, pro‐inflammatory, and proteolytic proteins, knowledge about which can significantly contribute to faster and more accurate diagnosis of various clinical forms of TBE.