bluuebunny/crossref_metadata_2025_split huggingface dataset:
β‐D‐Glucopyranose—silver+ (1:1) complex as a small gas molecule scavenger
Authors: Mondal Sukanta 
Published: March 2024

AbstractIn this article, density functional theory computations at the PBE0‐D3/def2‐TZVP level are reported to unveil the type of bonding between β‐D‐glucopyranose—silver ion (1:1) complex ([Ag(C6H12O6)]+) and seven gas molecules, namely, H2, C2H2, C2H4, CO, N2, NO and O2. Moreover, the relative preference of trapping among these molecules within the sight of Ag metal ion in the complex is explored. The nature of interaction of these small molecules with the [Ag(C6H12O6)]+ ion is studied. Exergonic nature of binding is noted with the metal center for all the chosen small molecules except O2. Thermochemical data reveals the binding preference of C2H4 > C2H2 > CO > NO > N2 > H2. Natural bond orbital analysis, contour plot of the Laplacian of electron density, electron density descriptors, and gradient isosurface help in understanding the nature of interactions. Maximum bond formation is noted between the Ag‐complex and CO molecule. Assessed energy decomposition analysis discloses the nature of interaction as mainly orbital between the bound small gas molecules and the Ag‐complex. Frontier molecular orbital pictures further help in understanding the type of interaction as orbital. To disclose the kinetic stability of the gas molecule bound Ag complexes an ab initio molecular dynamics study is done at different temperatures up to 2 ps. These studies help in understanding the type of adsorption. Calculated conceptual density functional theory (CDFT) based reactivity descriptors corroborate well with results. β‐D‐glucopyranose—silver ion (1:1) complex may be used as small gas molecule scavenger.
Exploring networks of complex developmental trauma symptomatology among children and adolescents involved in child welfare
Authors: Smith Jackson A. , Zhang Jasmine , Urusov Alexey , Colucci Laura , Sloss Imogen , Eckert Lillian , Price‐Cameron Mary , Browne Dillon T. 
Published: March 2024

AbstractBackgroundClinical presentations of child and adolescent psychopathology can vary systematically for boys and girls. While network analysis is increasingly being applied to explore psychopathology in adults, there is a dearth of network studies considering differences in symptoms for boys and girls, particularly in developmental trauma‐related symptomatology.MethodsThis study involves rural children (n = 375, 39.47% girls) and adolescents (n = 291, 51.20% girls) involved with child protection services in Ontario, Canada. Caregivers completed the Assessment Checklist for Children or Adolescents within the first 6 months of care. Psychometric network analyses were conducted using subscales for boys and girls. Differences were examined via network comparison permutation tests, moderated network models, and independent t‐tests.ResultsAttachment‐related interpersonal difficulties were the most central nodes in the child and adolescent networks for both boys and girls. Emotional dysregulation also had high strength centrality for adolescents. While network comparison tests found the overall network structures and global network strength to be invariant between boys and girls for children and adolescents, moderated network models and independent t‐tests revealed several differences with regards to the expression of specific symptoms. Among children, girls exhibited more indiscriminate and pseudomature interpersonal behaviors, whereas boys expressed significantly more non‐reciprocal interpersonal behaviors and self‐injury. Adolescent girls exhibited more behavioral dysregulation and suicide discourse in the moderated network model; t‐tests also indicated higher levels of emotional dysregulation, negative self‐image, and other items considered clinically important complex trauma symptoms (e.g., distrust of adults, confused belonging).DiscussionThis study supports evidence of differences in the expression of complex trauma symptomatology for boys and girls. Additionally, girls exhibit more symptoms, in general. Consistent with the transdiagnostic conceptualization of the consequences of developmental trauma, findings demonstrate the primacy of attachment‐specific difficulties and emotion dysregulation.
Synthesis of a novel fused thieno‐pyrimidine with tetrazole analogs
Authors: Rajeswari Muthirevula , Nagaraju Begari , Chunduri Venkata Rao , Gumbi Bhekumuzi , Maddila Suresh 
Published: March 2024

AbstractThis current investigation represents the new series of fused thieno‐pyrimidine with synthesized tetrazole analogs (6a–j). Intermediates thieno‐[2,3‐d]‐pyrimidine were prepared by utilizing the Gewald method, and tetrazole (5a–j) was synthesized by [3 + 2] cycloaddition of azide and appropriate nitrile. All the prepared novel molecules were characterized and confirmed by 1HNMR, 13CNMR, LC‐MS, and FT‐IR spectral analysis.
Understanding seasonal cycle of daily extreme temperatures based on generalized additive model for location, scale and shape with smoothing spline
Authors: Tu Kai , Yan Zhongwei , Qian Cheng 
Published: March 2024

AbstractThe seasonal cycle (SC) of surface air temperature is a substantial element in climatology. Some basic and important topics in climate change studies are based on accurate and reliable estimation of SCs, such as percentile‐based indices of extremes and probability density function (PDF) changes of daily temperatures. For both of them, most studies characterized SCs using averages of multi‐days windows, which is not smooth and accurate enough representing the extreme thresholds and climatological normal of SCs. It is necessary to construct smooth and reasonable SCs for more accurate estimation of temperature changes on extreme thresholds and PDFs. In this study, we propose a flexible method based on generalized additive models for location scale and shape and penalized b‐spline smoothing technique with respective distributions to construct smooth SCs and SC for extreme temperatures (SCETs). The accuracy of the constructed smooth SCETs is good with the estimation biases of percentiles tending to be zero. The constructed smooth SCET also exhibits good stability over time, such that the magnitude changes of temperatures on each calendar day are close to climatic changes of mean temperature when the concerned period shifts. Based on the constructed smooth SCs, climatic changes by seasons and PDFs between two periods, 1961–1990 and 1991–2020, are examined over China. The increase of thresholds for hot extremes in spring during the recent period is prominent, while the increase of thresholds for daytime cold extremes in summer over a part of central to southern China is also notable. The smooth SCs and SCETs based on our flexible statistical modelling framework can characterize daily extreme temperatures reasonably and accurately, and should be expected to have more applications for a better understanding of climate changes related to distributions and seasonal cycles.
Malnutrition as a prognostic factor for 2‐year mortality in hospitalized patients in Norway: A matched cohort study
Authors: Trollebø Marte A. , Tangvik Randi J. , Skeie Eli , Grønning Martin K. , Nygård Ottar , Eagan Tomas M. L. , Dierkes Jutta 
Published: March 2024

AbstractBackgroundRisk of malnutrition and malnutrition have been previously associated with increased risk of mortality. It remains unclear, however, whether the severity of malnutrition differentiates in association with all‐cause mortality. The aim was to assess the association between being at risk of malnutrition or being diagnosed with malnutrition according to the diagnostic assessment of the Global Leadership Initiative on Malnutrition (GLIM) with all‐cause mortality during a 2‐year follow‐up in hospitalized patients.MethodsA matched cohort study was conducted in hospitalized patients (excluding cancer, intensive care, and transmissible infections) at a university hospital in Bergen, Norway. All patients underwent nutrition screening with the Nutritional Risk Screening 2002 and a further nutrition assessment using the GLIM criteria. All‐cause mortality was estimated from the Norwegian death registry after 2 years, and risk factors were calculated by Cox regression analysis.ResultsAmong 326 patients included, 55 patients died within 2 years (17% mortality rate). Risk of malnutrition was associated with increased all‐cause mortality, which disappeared after adjustment for age and sex. Malnutrition was associated with an increased risk of all‐cause mortality at 2 years also after adjustment for age and sex and, additionally, for further comorbidities (hazard ratio = 2.50; 95% CI, 1.41–4.42). When analyzed separately only severe malnutrition was associated with mortality (hazard ratio = 2.73; 95% CI, 1.44–5.15).ConclusionThe findings highlight a strong association between inpatients with severe malnutrition, defined by the GLIM criteria, and an increased risk of all‐cause mortality within a 2‐year follow‐up.
Drivers for soil organic carbon stabilization in Elbe River floodplains
Authors: Heger Adrian , Becker Joscha N. , Vásconez Lizeth K. , Eschenbach Annette 
Published: March 2024

AbstractBackgroundFloodplains play an important role in the global carbon (C) cycle, particularly due to their large soil organic carbon (SOC) storage potential. However, a heterogeneous microrelief and anthropogenic landscape modifications complicate the understanding of stabilization processes of SOC in floodplains.AimDetermining the predominant drivers for SOC stabilization in Elbe River floodplain soils.MethodsWe measured SOC density fractions, microbial biomass, and mineralization characteristics in top‐ and subsoils of eight floodplain sites of the lower middle Elbe River.ResultsThe heavy fraction (HF) was the most important SOC pool, with a contribution of >64% at both depth intervals. With soil depth, HF pool size increased and the occluded light fraction (oLF) decreased, whereas the free LF (fLF) stayed the same. The contribution of the HF to SOC was positively related to fine texture (R2 = 0.64). Mineralizable C was negatively related to fine texture at both depth intervals. Both results suggest a positive effect of fine texture on SOC stabilization. The metabolic quotient was related to the amount of available SOC in the topsoil, but no relation was found in the subsoil. However, in top‐ and subsoil, the mineralization rate constant was positively related to the C/N ratios of the fLF and the oLF, indicating that the quality of fresh plant litter is an important energy source for microbial mineralization.ConclusionSedimentation of fine‐textured material is the most important driver for SOC stabilization rather than fresh plant litter input. Thus, SOC stabilization strongly depends on relief, flooding, and sedimentation.
Long‐term organic management: Mitigating land use intensity drawbacks and enhancing soil microbial redundancy
Authors: Paliaga Sara , Muscarella Sofia Maria , Lucia Caterina , Pampinella Daniela , Palazzolo Eristanna , Badalucco Luigi , Badagliacca Giuseppe , Laudicina Vito Armando 
Published: March 2024

AbstractBackgroundSoils under organic farming systems exhibit better quality and higher biological activity than conventional systems. Manure addition, especially coupled with reduced or no tillage, significantly enhances microbial biomass and activity by improving soil physical properties and providing carbon (C) and nitrogen (N) sources. While several studies have examined the effects of transitioning from conventional to organic farming on soil chemistry and biochemistry, limited research has explored the influence of land use variations on soil fertility within long‐term organic farming systems.AimsTherefore, the aim of this study was to assess how three different land uses—pasture, vegetable crops, and orchard—affected soil fertility under a long‐term organic farming system.MethodsSoil samples were collected from the 0 to 15 cm layer of plots used for pasture, vegetable crops and orchard, being the latter cover cropped with legumes, and analyzed to determine chemical and biochemical soil parameters.ResultsContrary to expectations, high land use intensity (vegetable crops and orchard soils) resulted in increased soil organic C and total N, compared to low intensity (pasture). Such an increase was ascribed to farmyard manure addition that counteracted the negative impact of tillage. Consequently, microbial biomass C and activity also increased. The greatest availability of organic substrates favored bacteria, particularly gram‐positive strains, shaping the microbial community. However, despite changes of microbial biomass and of the main microbial groups, microbial activity was only slightly affected, suggesting high functional redundancy of microorganisms in long‐term organic farming soil.ConclusionsResults suggested that if land use intensification provides for organic supply, its negative impact on soil fertility may be mitigated.
Electronic eye and electronic tongue data fusion combined with a GETNet model for the traceability and detection of Astragalus
Authors: Jin Xinning , Wang Zhiqiang , Ma Jingyu , Liu Chuanzheng , Bai Xuerui , Lan Yubin 
Published: March 2024

AbstractBACKGROUNDAstragalus is a widely used traditional Chinese medicine material that is easily confused due to its quality, price and other factors derived from different origins. This article describes a novel method for the rapid tracing and detection of Astragalus via the joint application of an electronic tongue (ET) and an electronic eye (EE) combined with a lightweight convoluted neural network (CNN)–transformer model. First, ET and EE systems were employed to measure the taste fingerprints and appearance images, respectively, of different Astragalus samples. Three spectral transform methods – the Markov transition field, short‐time Fourier transform and recurrence plot – were utilized to convert the ET signals into 2D spectrograms. Then, the obtained ET spectrograms were fused with the EE image to obtain multimodal information. A lightweight hybrid model, termed GETNet, was designed to achieve pattern recognition for the Astragalus fusion information. The proposed model employed an improved transformer module and an improved Ghost bottleneck as its backbone network, complementarily utilizing the benefits of CNN and transformer architectures for local and global feature representation. Furthermore, the Ghost bottleneck was further optimized using a channel attention technique, which boosted the model's feature extraction effectiveness.RESULTSThe experiments indicate that the proposed data fusion strategy based on ET and EE devices has better recognition accuracy than that attained with independent sensing devices.CONCLUSIONThe proposed method achieved high precision (99.1%) and recall (99.1%) values, providing a novel approach for rapidly identifying the origin of Astragalus, and it holds great promise for applications involving other types of Chinese herbal medicines. © 2024 Society of Chemical Industry.
Pseudostellaria heterophylla improves intestinal microecology through modulating gut microbiota and metabolites in mice
Authors: Zhang Shengkai , Kang Tao , Malacrinò Antonino , Zhang Zhen , Zhang Zhongyi , Lin Wenxiong , Wu Hongmiao 
Published: March 2024

AbstractBACKGROUNDPseudostellaria heterophylla is a Chinese medicine and healthy edible that is widely used to for its immunomodulatory, antioxidant, antidiabetic and antitussive properties. However, the potential function of P. heterophylla in intestinal microecology remains unclear. In this study, we investigated the impact of P. heterophylla on immune functions and evaluated its potential to regulate the gut microbiota and metabolome.RESULTSThe results showed that P. heterophylla significantly increased the content of red blood cells, total antioxidant capacity and expression of immune factors, and decreased platelet counts when compared to the control under cyclophosphamide injury. In addition, P. heterophylla altered the diversity and composition of the gut bacterial community; increased the abundance of potentially beneficial Akkermansia, Roseburia, unclassified Clostridiaceae, Mucispirillum, Anaeroplasma and Parabacteroides; and decreased the relative abundance of pathogenic Cupriavidus and Staphylococcus in healthy mice. Metabolomic analyses showed that P. heterophylla significantly increased the content of functional oligosaccharides, common oligosaccharides, vitamins and functional substances. Probiotics and pathogens were regulated by metabolites across 11 pathways in the bacterial–host co‐metabolism network.CONCLUSIONWe demonstrated that P. heterophylla increased the abundance of probiotics and decreased pathogens, and further stimulated host microbes to produce beneficial secondary metabolites for host health. Our studies highlight the role of P. heterophylla in gut health and provide new insights for the development of traditional Chinese medicine in the diet. © 2024 Society of Chemical Industry.
Liquid chromatography‐mass spectrometry‐based strategy for systematic profiling of chemical components and associated quantitative analysis of quality markers in Qi‐Wei‐Tong‐Bi oral liquid
Authors: Huang Xiaojun , Fei Qingqing , Yu Sheng , Qiu Rongli , Geng Ting , Chen Xialin , Cao Liang , Wang Zhenzhong , Shan Mingqiu 
Published: March 2024

Qi‐Wei‐Tong‐Bi oral liquid (QWTB), a famous Chinese medicine preparation composed of seven crude drugs has a good therapeutic effect on rheumatoid arthritis and is widely used in China. However, its chemical composition and quality control have not been comprehensively and systematically investigated. In this study, high‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry was employed for its chemical profiling. As a result, 100 components were chemically characterized. Additionally, high‐performance liquid chromatography coupled with a quadrupole linear ion trap mass spectrometry method was developed to simultaneously quantify nine bioactive components (hyperoside, ononin, quercetin, sinomenine, magnoflorine, gallic acid, protocatechuic acid, monotropein, and cyclo‐(Pro‐Tyr)) in multiple‐reaction monitoring mode. After successful validation in terms of linearity, precision, repeatability, and recovery, the assay method was applied for the determination of 10 batches of QWTB. The results showed that QWTB was enriched in sinomenine and magnoflorine with the highest amount up to hundreds or even thousands of µg/mL, while quercetin, ononin, cyclo‐(Pro‐Tyr), and hyperoside were much lower with the lowest content below 10 µg/mL. This study work would help to reveal the chemical profiling and provide a valuable and reliable approach for quality evaluation and even pharmacodynamic material basis studies of QWTB.
Particulate organic carbon sedimentation triggers lagged methane emissions in a eutrophic reservoir
Authors: Martínez‐García Andrés , Peralta‐Maraver Ignacio , Rodríguez‐Velasco Eva , Batanero Gema L. , García‐Alguacil Miriam , Picazo Félix , Calvo Juan , Morales‐Baquero Rafael , Rueda Francisco J. , Reche Isabel 
Published: March 2024

AbstractReservoirs act as carbon sinks when sedimentation of particulate organic carbon (POC) exceeds CO2 and CH4 emissions. Here, we study the poorly explored process where phytoplankton‐derived acidic polysaccharides (APs) aggregate into particulate organic matter, promoting carbon export to sediments. This source of POC in sediments can mineralize to CO2 and CH4 over various timescales. Our research, centered on a Mediterranean reservoir, elucidates phenological trends of APs and POC sedimentation and identifies their predominant drivers. Our findings present synchronic sedimentation patterns of POC and APs but identify a 2‐week delay between POC sedimentation and CH4 emissions. Despite its eutrophic status, our data demonstrate this reservoir's role as a carbon sink, sequestering 4.33 g C m−2 yr−1. This highlights the need to consider various time scales when quantifying carbon budgets in reservoirs.
Biomimetic Dehydrogenation of Non‐Conventional Lignin Monomers on Cellulose Ferulate Interfaces
Authors: Elschner Thomas , Geissler Andreas , Adam Jörg , Joseph Yvonne , Fischer Steffen 
Published: March 2024

AbstractCellulose ferulate, synthesized by Mitsunobu reaction, is shaped into thin films and also used as an aqueous dispersion to perform artificial lignin polymerization on anchor groups. This biomimetic approach is carried out in a Quartz crystal microbalance with a dissipation monitoring (QCM‐D) device to enable online monitoring of the dehydrogenation, applying H2O2 and adsorbed horseradish peroxidase (HRP). The systematic use of phenylpropanoids with different oxidation states, i.e., ferulic acid, coniferyl aldehyde, coniferyl alcohol, and eugenol allowed to conclude structure‐property relationships. Both the deposited material, as well as the surface roughness increased with the hydrophobicity of the monomers. Beyond surface characterizations, py‐GC‐MS, HSQC NMR spectroscopy and Size exclusion chromatography (SEC) measurements revealed the linkage types β‐β, β‐5, 5‐5, and β‐O‐4, as well as the oligomeric character of the dehydrogenation products. All samples possessed an antibacterial activity against B. subtilis and can be used in the field of antimicrobial biomaterials.
AMPK‐upregulated microRNA‐708 plays as a suppressor of cellular senescence and aging via downregulating disabled‐2 and mTORC1 activation
Authors: Zhang Jian , Gong Hui , Zhao Tingting , Xu Weitong , Chen Honghan , Li Tiepeng , Yang Yu , Yang Ming , Huang Ning , Gong Chuhui , Wang Fangfang , Zhang Cuiying , Liu Jin , Xiao Hengyi 
Published: March 2024

AbstractSenescence‐associated microRNAs (SA‐miRNAs) are important molecules for aging regulation. While many aging‐promoting SA‐miRNAs have been identified, confirmed aging‐suppressive SA‐miRNAs are rare, that impeded our full understanding on aging regulation. In this study, we verified that miR‐708 expression is decreased in senescent cells and aged tissues and revealed that miR‐708 overexpression can alleviate cellular senescence and aging performance. About the molecular cascade carrying the aging suppressive action of miR‐708, we unraveled that miR‐708 directly targets the 3′UTR of the disabled 2 (Dab2) gene and inhibits the expression of DAB2. Interestingly, miR‐708‐caused DAB2 downregulation blocks the aberrant mammalian target of rapamycin complex 1 (mTORC1) activation, a driving metabolic event for senescence progression, and restores the impaired autophagy, a downstream event of aberrant mTORC1 activation. We also found that AMP‐activated protein kinase (AMPK) activation can upregulate miR‐708 via the elevation of DICER expression, and miR‐708 inhibitor is able to blunt the antiaging effect of AMPK. In summary, this study characterized miR‐708 as an aging‐suppressive SA‐miRNA for the first time and uncovered a new signaling cascade, in which miR‐708 links the DAB2/mTOR axis and AMPK/DICER axis together. These findings not only demonstrate the potential role of miR‐708 in aging regulation, but also expand the signaling network connecting AMPK and mTORC1.