bluuebunny/crossref_metadata_2025 huggingface dataset:
Trapping‐Enrichment Multi‐dimensional Liquid Chromatography with On‐Line Deuterated Solvent Exchange for Streamlined Structure Elucidation at the Microgram Scale
Authors: Ahmad Imad A. Haidar , Losacco Gioacchino Luca , Shchurik Vladimir , Wang Xiao , Cohen Ryan D. , Herron Alastair N. , Aiken Sheenagh , Fiorito Daniele , Wang Heather , Reibarkh Mikhail , Nowak Timothy , Makarov Alexey A. , Stoll Dwight R. , Guillarme Davy , Mangion Ian , Aggarwal Varinder K. , Yu Jin‐Quan , Regalado Erik L.
Published: February 2022

At the forefront of chemistry and biology research, development timelines are fast‐paced and large quantities of pure targets are rarely available. Herein, we introduce a new framework, which is built upon an automated, online trapping‐enrichment multi‐dimensional liquid chromatography platform (TE‐Dt‐mDLC) that enables: 1) highly efficient separation of complex mixtures in a first dimension (1D‐UV); 2) automated peak trapping‐enrichment and buffer removal achieved through a sequence of H2O and D2O washes using an independent pump setup; and 3) a second dimension separation (2D‐UV‐MS) with fully deuterated mobile phases and fraction collection to minimize protic residues for immediate NMR analysis while bypassing tedious drying processes and minimizing analyte degradation. Diverse examples of target isolation and characterization from organic synthesis and natural product chemistry laboratories are illustrated, demonstrating recoveries above 90 % using as little as a few micrograms of material.
Incorporation of silver nanoparticles on Cu‐BTC metal–organic framework under the influence of reaction conditions and investigation of their antibacterial activity
Authors: Soltani Sajjad , Akhbari Kamran , Phuruangrat Anukorn
Published: February 2022

In this work, silver nanoparticles were loaded on Cu‐BTC metal–organic framework (MOF) by chemical reduction method in the presence of NaBH4. Characterization of structures was performed by FT‐IR, XRD, SEM, TEM, ICP‐OES, N2 adsorption–desorption isotherm, and TGA techniques. Changes in the reaction conditions, especially the used solvent, in the synthesis of the compounds were investigated, and it was found that the amount of silver loaded, size, distribution, and morphology of the particles depended on it. Silver loading values of 1.76%–2% were calculated. The sample synthesized in a mixture of water and methanol (AC2) showed the highest amount of load with uniform and narrow distribution of about 20 nm for silver nanoparticles. The compounds' bactericidal potency was tested by agar well diffusion and broth dilution methods against Gram‐negative and Gram‐positive microorganisms. Silver loading amount, type of metal, solubility, particle size, and porosity were the factors influencing antibacterial activity. The physicochemical properties created in AC2 led to its best antibacterial performance.
Complete mitochondrial genome of Idea leuconoe (Lepidoptera: Danaidae) and related phylogenetic analyses
Authors: Wang Jing , Xin Tianrong , Li Zhenzhen , Zhang Xiaojing , Zou Zhiwen , Xia Bin
Published: February 2022

In the present study, we first sequenced and determined the complete mitochondrial genome (mitogenome) of the giant Danaidae butterfly, Idea leuconoe (Lepidoptera: Danaidae). The mitogenome was a typical closed, circular, double‐stranded DNA molecule of 15,278 bp length (GenBank accession number: KR815449), similar to the metazoan mitogenomes containing 37 genes and one A + T‐rich region. All the protein‐coding genes (PCGs) were initiated with a typical ATN codon. Seven genes (COII, ATP6, COIII, nad4, nad4L, cytb, and nad1) adopted the standard ATG start codon, but the remaining six genes were initiated with ATA. All the 13 PCGs harbored complete termination codons (TAA). The overlap nucleotides ATGATAA were conserved for the ATP8/ATP6 gene. The largest intergenic spacer was located between trnGln and nad2, a common finding in Lepidoptera butterflies. All the transfer RNA genes in the I. leuconoe mitogenome could be folded into typical clover‐leaf secondary structures, except for trnSer (AGN) that lacked a dihydrouridine arm. The control region with 94.8% A + T content was 444 bp in length and located between rrnS and trnMet. Finally, the phylogenetic relationships obtained using the maximum likelihood and Bayesian methods confirmed two well‐supported phylogenetic trees of Danaidae, Papilionidae, and Nymphalidae from the order Lepidoptera, which were consistent with the traditional morphological classification. Results provided additional information for butterfly phylogenetic analysis and insights into the evolution of genomes.
Microwave‐assisted N‐alkylation of amines with alcohols catalyzed by MnCl2: Anticancer, docking, and DFT studies
Authors: Kumar K. Yogesh , Kumar C. B. Pradeep , Prasad K. N. N. , Jeon Byong‐Hun , Alsalme Ali , Prashanth M. K.
Published: February 2022

A new protocol for the N‐alkylation of amines with alcohols for the synthesis of tertiary amines in the presence of MnCl2 as a catalyst, under microwave conditions, is described. The advantages of this protocol include stable reaction profiles, a wide substrate variety, excellent yields, low cost, high yields, and easy workup conditions. The anticancer efficacy of all the synthesized compounds was tested in vitro against various cancer cell lines, such as MCF‐7, MDA‐MB‐231 (human breast), HT‐29, HCT 116 (colon cancer), A549 (human lung carcinoma), and Vero cells. Among the screened compounds, 3e, 3h, and 3i demonstrated potent anticancer activity, with compound 3h surpassing the reference drug cisplatin against A549, MCF7, MDA‐MB‐231, and HCT116 cancer cells. The introduction of an electron‐withdrawing group on the phenyl ring resulted in increased anticancer activity. The most potent compounds, 3e, 3h, and 3i, were tested against VEGFR‐2, HER2, and EGFR in multikinase inhibition assays, with compounds 3h and 3i showing improved potency against the HER2 kinase. The compounds formed two H‐bonds with amino acids, indicating that they had a high affinity for the target HER2 kinase (PDB ID: 3RCD), according to the docking analysis. The absorption, distribution, metabolism, excretion, and toxicity properties of the optimized analogs were also assessed in vitro, enabling the discovery of promising anticancer agents. Finally, the B3LYP level was used to measure density functional theory geometry optimization and the related quantum parameters for the active compounds.
The whole‐brain voxel‐based morphometry study in early stage of T2DM patients
Authors: He Yana , Li Liang , Liu Jihua
Published: February 2022

Aim

This study aimed to investigate the alterations in whole‐brain gray matter density in early stage type 2 diabetes mellitus (T2DM) patients with cognitive impairment using magnetic resonance imaging.

Methods

Thirty‐six cases of early stage T2DM patients with cognitive impairment (T2DM‐CI), 34 cases of early stage T2DM patients without cognitive impairment (T2DM) and 30 cases of healthy controls (HC) were enrolled. Montreal Cognitive Assessment (MoCA) and Mini‐Mental State Examination (MMSE) scores were used to identify the cognitive impairment. The whole‐brain gray matter density was analyzed using 3D‐T1 BRAVO imaging, using the voxel‐based morphometry method on T1 structure imaging of two groups.

Results

The correlation analysis of total gray matter density with MMSE and MoCA scores in the T2DM‐CI group was performed. There were no significant differences in MMSE and MoCA scores between the HC and T2DM groups. However, the MMSE and MoCA scores in the T2DM‐CI group were significantly reduced compared with the T2DM group. There were no significant differences in age, gender, education, body mass index (BMI) or blood pressure among the three groups. Voxel‐based morphometry (VBM) results showed that the density of left triangle part of inferior frontal gyrus, orbital part of inferior frontal gyrus and opercular part of inferior frontal gyrus and left insula in the T2DM‐CI group decreased compared with the T2DM group. Correlation analysis results showed that there was a significant positive correlation between total gray matter density and scores of MMSE and MoCA scores in the T2DM‐CI group.

Conclusion

In conclusion, total gray matter density is positively correlated with the scores of MMSE and MoCA in T2DM patients, which may be an early sign of cognitive impairment in patients with T2DM.
Neuropsychological deficits in patients with cognitive complaints after COVID‐19
Authors: García‐Sánchez Carmen , Calabria Marco , Grunden Nicholas , Pons Catalina , Arroyo Juan Antonio , Gómez‐Anson Beatriz , Lleó Alberto , Alcolea Daniel , Belvís Roberto , Morollón Noemí , Mur Isabel , Pomar Virginia , Domingo Pere
Published: February 2022

Background

While much of the scientific focus thus far has been on cognitive sequelae in patients with severe COVID‐19, subjective cognitive complaints are being reported across the spectrum of disease severity, with recent studies beginning to corroborate patients’ perceived deficits. In response to this, the aims of this study were to (1) explore the frequency of impaired performance across cognitive domains in post‐COVID patients with subjective complaints and (2) uncover whether impairment existed within a single domain or across multiple.

Methods

Sixty‐three patients with subjective cognitive complaints post‐COVID were assessed with a comprehensive protocol consisting of various neuropsychological tests and mood measures. Cognitive test performance was transformed into T scores and classified based on recommended guidelines. After performing a principal component analysis to define cognitive domain factors, distributions of test scores within and across domains were analyzed.

Results

Results revealed pervasive impact on attention abilities, both as the singularly affected domain (19% of single‐domain impairment) as well as coupled with decreased performance in executive functions, learning, and long‐term memory. These salient attentional and associated executive deficits were largely unrelated to clinical factors such as hospitalization, disease duration, biomarkers, or affective measures.

Discussion

These findings stress the importance of comprehensive evaluation and intervention to address cognitive sequelae in post‐COVID patients of varying disease courses, not just those who were hospitalized or experienced severe symptoms. Future studies should investigate to what extent these cognitive abilities are recuperated over time as well as employ neuroimaging techniques to uncover underlying mechanisms of neural damage.
From negative to positive sustainability performance measurement and assessment? A qualitative inquiry drawing on framing effects theory
Authors: Kühnen Michael , Silva Samanthi , Hahn Rüdiger
Published: February 2022

Current approaches to sustainability performance primarily capture the reduction of negative impacts, but are rather silent about creating positive sustainability performance (PSP). This paper draws on framing effects theory to argue why interviewees in our abductive single case study of the life cycle of a laundry detergent struggled to identify PSP. Based on the theory and our findings, we argue that negative sustainability performance is a “sticky” frame in individual perception, and propose a research agenda for PSP that discusses three research routes and key determinants (i.e., systemic mindsets, collective goals and collaboration, and a balanced view for sustainable value) to explain how the dominant negative frames can be overcome to advance PSP. This study contributes to the sustainability management and performance literature by illuminating a current blind spot (PSP) and how the dominant negative frame can be overcome.
Are we starting to ‘think family’? evidence from a case file audit of parents and children supported by mental health, addictions and children's services
Authors: McCartan Claire , Davidson Gavin , Donaghy Mary , Grant Anne , Bunting Lisa , Devaney John , Duffy Joe
Published: February 2022

Key Practitioner Messages

Cases are complex and families can feel overwhelmed by the number of agencies and referrals involved.

Systemic, family‐focused practice can lead to improved outcomes; this should be consistent across mental health, addictions and children's services.

Efforts to promote interagency collaboration include: clear job descriptions; co‐locating services; home visits; interprofessional education; and joint training. Joint decision‐making can help acknowledge and value everyone's role and contribution.

Better recording and sharing of data can support informed, complex decision‐making and optimise support services.
Avoidance of surgery for head and neck infantile myofibromatosis using imatinib monotherapy
Authors: Pattisapu Prasanth , Wenger Tara L. , Dahl John P. , Bly Randall A. , Bonilla‐Velez Juliana , Wu Natalie , Hall Anurekha , Rudzinski Erin R. , Perkins Jonathan A.
Published: February 2022

Describe a novel use for a kinase inhibitor, imatinib, in young children with a known activated somatic mutation in PDGFR‐beta. Two patients with infantile myofibromatosis treated with imatinib. Case description of evaluation, diagnosis and treatment decisions for infantile myfibromatosis of the head and neck. Description of medical therapy for infantile myofibromatosis in these patients. For function threatening myofibromas of a known genotype, in infants, targeted medical therapy is a treatment option.
Dielectric and Magnetic Relaxations Exhibited in a 2D Parallel Interpenetrating Frustrated Star Net
Authors: Ji Cui‐Xian , Sun Ying‐Xi , Ma Shuai , Zhao Jiong‐Peng , Liu Fu‐Chen
Published: February 2022

Constructing multiple functional geometric frustration magnets is a hot topic in solid state chemistry and material science. Herein, a two‐dimensional (2D) parallel interpenetrating “star” net complex [HDMPDA][Fe6(μ3‐O)2(μ‐O2CH)15] (1) was obtained successfully with HDMPDA (DMPDA=N, N’‐dimethyl‐1,3‐propanediamine) as charge balancer. The dipole reorientation of the rotator [HDMPDA]+ in the complex brings a structure transition which leads dielectric relaxation close to room temperature. Despite strong antiferromagnetic coupling existing between ions in the net, long‐range order temperature TN of the complex is suppressed to 4.2 K by geometric frustration. Interestingly, below TN, a canted antiferromagnetic state, accompanied with slow magnetic relaxation, is detected due to the lack of enough magnetic coupling between 2D layers. Thus, 1 is a particular multifunctional magnetic frustration material containing two different types of relaxations.
Silver‐Promoted Radical Ring‐Opening/Pyridylation of Cyclobutanols with N‐Methoxypyridinium Salts
Authors: Chen Yu , Zhang Guang‐Yi , Guo Chan , Lan Ping , Banwell Martin G. , He Yu‐Tao
Published: February 2022

The silver‐promoted reaction of tertiary cyclobutanols with N‐methoxypyridinium salts enables the efficient synthesis of a range of C2‐substituted pyridines. The overall process likely occurs by ring‐opening (via β‐scission) of the cyclobutoxy radical to generate the corresponding γ‐keto alkyl radical that itself adds to the pyridinium salt. A wide range of tertiary cyclobutanols and N‐methoxypyridinium salts are compatible with the reaction conditions.
Strain‐Induced Ring Expansion Reactions of Calix[3]pyrrole‐Related Macrocycles
Authors: Inaba Yuya , Kakibayashi Yu , Ide Yuki , Pirillo Jenny , Hijikata Yuh , Yoneda Tomoki , Inokuma Yasuhide
Published: February 2022

The recent discovery of calix[3]pyrrole, a porphyrinogen‐like tripyrrolic macrocycle, has provided an unprecedented strain‐induced ring expansion reaction into calix[6]pyrrole. Here, we synthesized calix[n]furan[3‐n]pyrrole (n=1∼3) macrocycles to investigate the reaction scope and mechanism of the ring expansion. Single crystal X‐ray analysis and theoretical calculations revealed that macrocyclic ring strain increases as the number of inner NH sites increases. While calix[1]furan[2]pyrrole exhibited almost quantitative conversion into calix[2]furan[4]pyrrole within 5 minutes, less‐strained calix[2]furan[1]pyrrole and calix[3]furan were inert. However, N‐methylation of calix[2]furan[1]pyrrole induced a ring‐expansion reaction that enabled the isolation of a linear reaction intermediate. The mechanism analysis revealed that the ring expansion consists of regioselective ring cleavage and subsequent cyclodimerization. This reaction was further utilized for synthesis of calix[6]‐type macrocycles.
The Exception That Proves the Rule: How Sodium Chelation Can Alter the Charge‐Cell Binding Correlation of Fluorescein‐Based Multimodal Imaging Agents
Authors: Maspero Marco , Dallanoce Clelia , Wängler Björn , Wängler Carmen , Hübner Ralph
Published: February 2022

In the present study we describe and explain an aberrant behavior in terms of receptor binding profile of a fluorescein‐based multimodal imaging agent for gastrin releasing peptide receptor (GRPR) visualization by elucidating a chelating mechanism on sodium ions of its fluorescent dye moiety. This hypothesis is supported by both biological results and spectroscopic analyses of different fluorescein‐carrying conjugates and an equally charged set of analogous tartrazine‐based GRPR‐binding imaging agents. Fluorescein interacts with sodium which reduces the overall negative charge of the dye molecule by one. This reduction in apparent total net charge explains the exceptional behavior found for the fluorescein‐based multimodal bioconjugate in the context of the charge‐cell binding correlation hypothesis.
Chemistry‐Performance Relationships of Polymer Gel‐Electrolytes for Mg−S and Li−S Batteries: Influence of Network Cation Solvation Capacity on Polymer‐Polysulfide Interactions
Authors: Ford Hunter O. , He Peng , Schaefer Jennifer L.
Published: February 2022

Metal‐sulfur batteries are a promising next‐generation energy storage technology, offering high theoretical energy densities with low cost and good sustainability. An active area of research is the development of electrolytes that address unwanted migration of sulfur and intermediate species known as polysulfides during operation of metal‐sulfur batteries, a phenomenon that leads to low energy efficiency and short life‐spans. A particular class of electrolytes, gel polymer electrolytes, are especially attractive for their ability to repel polysulfides on the basis of structure, electrostatics, and other polymer properties. Herein, within the context of magnesium‐ and lithium‐sulfur batteries, we investigate the impact of gel polymer electrolyte cation solvation capacity, a property related to network dielectric constant and chemistry, on sulfur/polysulfide‐polymer interactions, an understudied property‐performance relationship. Polymers with lower cation solvation capacity are found to permanently absorb less polysulfide active material, which increases sulfur utilization for Li−S batteries and significantly increases charge efficiency and life‐span for Li−S and Mg−S batteries.
Control of the extracellular matrix by hypoxic lymphatic endothelial cells: Impact on the progression of lymphedema?
Authors: Wilting Jörg , Felmerer Gunther , Becker Jürgen
Published: February 2022

Background

Initial lymphatic vessels do not have a continuous basement membrane. Therefore, the ability of lymphatic endothelial cells (LECs) to produce extracellular matrix (ECM) has received little attention. Untreated lymphedema is a chronic disease that progresses to massive fibrosclerosis in advanced stages. Expansion of the intercellular space and fibrosclerosis cause hypoxia, which also affects the LECs.

Results

We studied the expression of genes in human LECs in vitro by RNA sequencing, analyzed the effects of hypoxia (1% O2) vs. normoxia (21% O2), and focused on ECM genes. LECs express fibrillin‐1 and many typical components of a basement membrane such as type IV, VIII, and XVIII collagen, laminin β1, β2, and α4, perlecan, and fibronectin. Under hypoxia, we found significant upregulation of expression of genes controlling hydroxylation of procollagen (PLOD2, P4HA1), and also cross‐linking, bundling, and stabilization of collagen fibrils and fibers. Also striking was the highly significant downregulation of elastin expression, whereas fibulin‐5, which controls the assembly of tropoelastin monomers, was upregulated under hypoxia. In the dermis from genital lymphedema, we observed significant PLOD2 expression in initial lymphatics.

Conclusions

Overall, hypoxia results in the picture of a dysregulated ECM production of LECs, which might be partly responsible for the progression of fibrosclerosis in lymphedema.
Environmental drivers of recruitment in a tropical fishery: Monsoonal effects and vulnerability to water abstraction
Authors: Crook David A. , Morrongiello John R. , King Alison J. , Adair Brendan J. , Grubert Mark A. , Roberts Brien H. , Douglas Michael M. , Saunders Thor M.
Published: February 2022

Fisheries and natural water resources across the world are under increasing pressure from human activity, including fishing and irrigated agriculture. There is an urgent need for information on the climatic/hydrologic drivers of fishery productivity that can be readily applied to management. We use a generalized linear mixed model framework of catch curve regression to resolve the key climatic/hydrological drivers of recruitment in Barramundi Lates calcarifer using biochronological (otolith aging) data collected from four river‐estuary systems in the Northern Territory, Australia. These models were then used to generate estimates of the year class strength (YCS) outcomes of different water abstraction scenarios (ranging from 10% to 40% abstraction per season/annum) for two of the rivers in low, moderate, and high discharge years. Barramundi YCS displayed strong interannual variation and was positively correlated with regional monsoon activity in all four rivers. River‐specific analyses identified strong relationships between YCS and several river‐specific hydrology variables, including wet and dry season discharge and flow duration. Water abstraction scenario models based on YCS–hydrology relationships predicted reductions of >30% in YCS in several cases, suggesting that increased water resource development in the future may pose risks for Barramundi recruitment and fishery productivity. Our study demonstrates the importance of the tropical monsoon as a driver of Barramundi recruitment and the potential for detrimental impacts of increased water abstraction on fishery productivity. The biochronological and statistical approaches we used have the potential to be broadly applied to inform policy and management of water resource and fisheries.
Altitude‐mediated soil properties, not geography or climatic distance, explain the distribution of a tropical endemic herb
Authors: Moutouama Jacob K. , Gaoue Orou G.
Published: February 2022

Understanding the ecological processes that govern species' range margins is a fundamental question in ecology with practical implications in conservation biology. The center‐periphery hypothesis predicts that organisms have higher abundance at the center of their geographic range. However, most tests of this hypothesis often used raster data, assuming that climatic conditions are consistent across one square km. This assumption is not always justified, particularly for mountainous species for which climatic conditions can vary widely across a small spatial scale. Previous studies rarely evenly sample occurrence data across the species' distribution. In this study, we sampled an endemic perennial herb, Thunbergia atacorensis (Acanthanceae), throughout its range in West Africa using 54 plots and collected data on (a)biotic variables, the species density, leaf mass per area, and basal diameter. We built a structural equation model to test the direct and indirect effects of distance from geographic and climatic niche centers, and altitude on Thunbergia density as mediated by abiotic and biotic factors, population demographic structure, and individual size. Contrary to the prediction of the center‐periphery hypothesis, we found no significant effect of distance from geographic or climatic niche centers on plant density. This indicates that even the climatic center does not necessarily have optimal ecological conditions. In contrast, plant density varied with altitudinal gradient, but this was mediated by the effect of soil nitrogen and potassium which had positive effect on plant size. Surprisingly, we found no direct or mediating effect of interspecific competition on plant density. Altogether, our results highlight the role of geography, climatic, and ecological mismatch in predicting species distribution. Our study highlights that where altitudinal gradient is strong local‐scale heterogeneity in abiotic factors can play important role in shaping species range limits.
Enhanced Solubility of Zirconium Oxo Clusters from Diacetoxyzirconium(IV) Oxide Aqueous Solution as Inorganic Extreme‐Ultraviolet Photoresists
Authors: Kataoka Sho , Sue Kiwamu
Published: February 2022

Metal oxo clusters have drawn a great deal of attention as the extreme‐ultraviolet (EUV) photoresists. However, industrial implementation in the next‐generation lithography demands further improvements in their sensitivity and resolution. In this study, a zirconium oxo cluster with methacrylate and acetate ligands was synthesized from diacetoxyzirconium(IV) oxide aqueous solution for use as EUV photoresist materials. The obtained Zr oxo cluster, consisting of a Zr core and methacrylate and acetate ligands, was similar in size to Zr6O4(OH)4(methacrylate)12 cluster, but much more soluble in a variety of organic solvents. Open‐frame exposure tests revealed that the Zr oxo cluster served as a negative tone photoresist with a sensitivity greater than that of Zr6O4(OH)4(methacrylate)12 cluster. At a dose of 22 mJ/cm2 in the absence of photoacid generators, the Zr oxo cluster film resolved a pattern 15 nm in width, which is sufficiently low to meet the current technological requirements.
Sustainable Mechanosynthesis of Biologically Active Molecules
Authors: Bento Ophélie , Luttringer Florian , Mohy El Dine Tharwat , Pétry Nicolas , Bantreil Xavier , Lamaty Frédéric
Published: February 2022

Synthetic mechanochemistry, the use of mechanical force produced by milling, grinding or extruding, as an activation technique, provides access to chemical entities of all kinds. This Review is focused on examples reported so far of known Active Pharmaceutical Ingredients (APIs), and effectively evaluated bioactive molecules, all prepared by mechanosynthesis. Three families of molecules are discussed: heterocyclic compounds, metal complexes and peptides. Advantages of the mechanochemistry approach are highlighted especially from a green chemistry and efficacy point of view.
Notes on the identity of Scorzonera picridioides and Scorzonera paradoxa (Asteraceae)
Authors: Hatami Elham , Mirtadzadini Mansour
Published: February 2022

Due to confusion in the identity of Scorzonera paradoxa and Scorzonera picridioides and their inconsistent taxonomic treatments in previous literature and regional floras, we performed a detailed bibliographic and morphological revision of both species in order to elucidate their taxonomic identities. Examination of specimens in the field or various herbaria and critical surveys of type specimens and previous literature represented that S. paradoxa and S. papposa possessed a considerable overlap in the morphology and geographic distribution, and consequently, S. paradoxa was confirmed as a synonym of S. papposa. We also found that S. papposa and S. paradoxa were morphologically different from S. picridioides in plant height, shape of basal leaves, color of florets, color of anther tube, and pappus bristles, thus, S. picridioides was re‐established as an independent species. In accordance with a recent taxonomic revision of subtribe Scorzonerinae that split Scorzonera s. l. into independent genera and placed S. papposa in genus Pseudopodospermum, we proposed the placement of S. picridioides in Pseudopodospermum, and provided an updated morphological description and geographic distribution notes for Pseudopodospermum papposum and Pseudopodospermum picridioides.
Medical image fusion based on local Laplacian decomposition and iterative joint filter
Authors: Li Weisheng , Chao Feifei , Wang Guofen , Fu Jun , Peng Xiuxiu
Published: February 2022

Previous multi‐modal medical image fusion methods have suffered from color distortion, blurring, and noise. To address these problems, we propose a method for integrating the information contained in functional and anatomical medical images. In the proposed method, multi‐scale image representation of input images is produced by local Laplacian filtering. The rgb2ycbcr algorithm and iterative joint filters are then used to produce fused approximate images. The residual images are divided into regions of interest and noninterest regions, and then a local energy maximization scheme and local energy average scheme are used to combine these regions. Fused interest areas and fused noninterest areas are combined to produce fused residual images. Finally, an inverse local Laplacian filter is used as a reconstruction tool to produce a fused image. Experimental results indicated that our method has a distinct advantage over existing state‐of‐the‐art algorithms in terms of vision quality and objective metrics.
Retrospective analysis comparing complication rates of centrifuge vs membrane‐based therapeutic plasma exchange in the pediatric population
Authors: Webb Tennille N. , Bell Jeremiah , Griffin Russell , Dill Lynn , Gurosky Catherine , Askenazi David
Published: February 2022

Background

There are two conventional modalities used to perform therapeutic plasma exchange (TPE): centrifuge TPE (cTPE) or membrane TPE (mTPE). There is limited data on complications with mTPE.

Objective

We sought to better understand the patient and machine complications of mTPE compared to cTPE. We hypothesize that our protocol for mTPE using heparin anticoagulation is well‐tolerated.

Methods

In this retrospective cohort study of children <21 years of age, we evaluated differences in patient and machine characteristics and complications between cTPE (with citrate anticoagulation) vs mTPE (with heparin anticoagulation).

Results

Of the 105 patients who met inclusion/exclusion criteria, 63 received cTPE and 42 mTPE via Prismaflex. Those who used mTPE were younger (4.8 ± 2.8 years vs 15.2 ± 3.7 years, P = .0001) and weighed less (19.5 ± 10.6 vs 71.7 ± 28.5 kg, P = .0001). There were no significant differences in patient‐related complications or indications for TPE between the two modalities. Of the 1031 therapies performed,1003 therapies were analyzed (646 using cTPE and 357 using mTPE) due to exclusion criteria. No significant difference in patient complications were detected between groups. Machine‐related complications were infrequent in both approaches. More circuits clotted during mTPE than during cTPE (6.7% [24/357] vs 0% [0/646]; P < 0.001).

Conclusion

Although we use mTPE in smaller children, we showed low rates of complications that were not statistically different from cTPE performed in older children. While the overall rate of circuit clotting using mTPE was low, it occurred more commonly than with cTPE.
Comparison of prefrontal cortex sucrose seeking ensembles engaged in multiple seeking sessions: Context is key
Authors: Jessen Kristen , Slaker Bennett Megan L. , Liu Shuai , Olsen Christopher M.
Published: February 2022

Encoding of memories, including those associated with prior drug or reward, is thought to take place within distinct populations of neurons, termed ensembles. Neuronal ensembles for drug‐ and reward‐seeking have been identified in regions of the medial prefrontal cortex, but much of our understanding of these ensembles is based on experiments that take place in a single reward‐associated environment and measure ensemble encoding over short durations of time. In contrast, reward seeking behavior is evident across different reward‐associated environments and persists over time. Using TetTag mice and Fos immunohistochemistry, we examined the relationship between persistent sucrose‐seeking and ensemble encoding in mice that undergo seeking sessions in the same or different sucrose self‐administration contexts 2 weeks apart. We found that prelimbic (PrL) and anterior cingulate cortex ensembles tagged in the first seeking session were highly sensitive to the context in which a second seeking session took place: reactivation of these ensembles was reduced in the same context but elevated in a distinct sucrose self‐administration context. Correlational analyses revealed that ensemble reactivation in the PrL was proportional to the persistence of sucrose seeking behavior across sessions in differing ways in female mice. In the same context, reactivation was proportional to the persistence of non‐reinforced operant responses, whereas in a distinct context, reactivation was proportional to the persistence of non‐reinforced head entries into the sucrose receptacle. This study underlines the importance of the medial prefrontal cortex importance in maintaining a reward‐seeking ensemble over time and identifies context‐dependent changes in behavioral correlates of ensemble reactivation.
Functional ecosystem parameters: Soil respiration and diversity of mite (Acari, Mesostigmata) communities after disturbance in a Late Cambrian bedrock environment
Authors: Woźniak Gabriela , Kamczyc Jacek , Bierza Wojciech , Błońska Agnieszka , Kompała‐Bąba Agnieszka , Sierka Edyta , Jagodziński Andrzej M.
Published: February 2022

We analyzed the changes in ecosystem functions (soil respiration and Mesostigmata mite abundance, species richness and diversity) on various habitats after flooding by highly mineralized and acidic drainage water with fine As‐rich pyrite sediments, on a fragment of a natural ecosystem. In total, 177 plots that represented six types of habitats (undisturbed: pine mixed forests, Salix spp. thickets, Juncus effusus communities, wet meadows, and disturbed: bare ground and dead Salix spp. thickets) were sampled twice, in June 2019 and September 2020. Our study revealed that flooding affected essential ecosystem parameters, such as soil Mesostigmata mite abundance, species richness and diversity, and soil respiration, via an extreme decrease of soil pH. In total, 968 mites were collected from pooled data from the two samplings. Mite abundance, species richness and diversity were mainly shaped by habitat type and soil pH, and partially by soil respiration. These parameters were lower in disturbed habitats (bare ground and dead Salix spp. thickets) as compared with undisturbed ones. The highest mean mite density was recorded from mixed forests (4750 ± 600 ind. m−2) and wet meadows (2678 ± 361 ind. m−2), whereas the lowest in bare ground (449 ± 113 ind. m−2) and dead Salix spp. thickets (537 ± 146 ind. m−2). We noticed that mite diversity may be helpful to predict future changes in the physicochemical parameters of soils in disturbed areas. The vegetation patches built up by species adapted to grow in habitats characterized by relatively high metal and metalloid content (J. effusus and Salix spp.) represent an intermediate state of function of ecosystems in the study area.
Nutrient limitation can explain a rapid transition to synchrony in an upwelling‐driven diatom community
Authors: Buttay Lucie , Vasseur David A. , González‐Quirós Rafael , Nogueira Enrique
Published: February 2022

Identifying the mechanisms controlling the temporal dynamics of ecological communities is key to understand their vulnerability to natural and anthropogenic impacts and to identify early warnings of critical transitions. At community level, inter‐specific synchrony is an important indicator of ecosystem stability and variation in function. Using wavelet analysis on time‐series of abundance of 12 dominant diatom species, sampled monthly (1994‐2009) in a coastal upwelling embayment at the northern limit of the Canary Current Upwelling System, we find a sudden onset of synchrony between 1998 and 2002, concomitant with an increase in the amplitude of the upwelling index at different temporal scales. To better understand the underlying mechanism that could generate this sudden onset of synchrony among competitors, we analyzed a general model of competition between two species for two essential nutrients (e.g., nitrogen and silicate). We incorporate environmental variation by varying the concentration of one of the essential nutrients entering the system. Increase in the amplitude of environmental variation always leads to greater synchrony among competitors. This occurs because the system shifts from a state in which species are limited by different nutrients to one where species are often limited by the same nutrient. We show that the transition from asynchronous to synchronous dynamics can occur suddenly as the amplitude of environmental variation increases. While it is not possible to rule out alternative mechanisms, our model demonstrates that sudden changes in the extent of synchronization should be a common feature when species compete for essential nutrients in variable environments.
An Arbitrary Lagrangian Eulerian (ALE) finite difference (FD)‐SPH depth integrated model for pore pressure evolution on landslides over erodible terrains
Authors: Pastor Manuel , Tayyebi Saeid M. , Stickle Miguel M. , Molinos Miguel , Yague Angel , Manzanal Diego , Navas Pedro
Published: February 2022

Entrainment of saturated bed material increases the mobility of fast landslides. The distribution of excess pore pressures changes in the body of the landslide, as the material entering it has much lower effective confining stresses which results on much smaller apparent basal friction angles. The purpose of this paper is to enhance the Finite Differences depth integrated SPH model developed by the authors to cope with material which is flowing up the FD meshes. The model is set within an Arbitrary Lagrangian Eulerian framework (ALE), and the resulting excess pore pressure evolution model will include now advective terms in addition to the diffusive and source terms. In order to assess the importance of the proposed modification, we introduce a basal Péclet number which relates two non dimensional reference times of consolidation and erosion.
From laboratory to industrialization: Eco‐friendly flame retardant endowing epoxy resin with excellent flame retardancy, transparency, and mechanical properties
Authors: Qiao Huawei , Su Liping , Liu Canpei , Zhang Huagui , Chen Mingfeng
Published: February 2022

To eliminate the fire safety hazards (flammability and smoke toxicity) of epoxy resins (EP), while reaching industrial production of flame retardants, we proposed a facile strategy to successfully synthesize an industrially scalable phosphorus‐nitrogen flame retardant (named FNU) by the substitution reaction of 2‐(2‐aminoethylamino) ethanol and 9,10‐dihydro‐9‐oxo‐10‐phosphofi‐10‐oxide. FNU was synthesized in a simple and heat‐free step with room temperature stirring, and such process optimizations facilitate industrially scalable. As expected, FNU endowed EP with excellent flame retardancy and smoke suppression properties. EP mixing with 10 phr of FNU reached the highest limiting oxygen index value of 44.5%, UL‐94 reached V‐0 level, total smoke production and total heat release were reduced by 15.5% and 19.8% compared with pure EP. Residual carbon analysis showed that the presence of FNU could promote to form dense and continuous carbon layer. Thermogravimetric analysis‐infrared spectrometry results demonstrated a significant reduction in the pyrolysis products, especially in the yield of CO. Moreover, the structure of FNU contained aromatic rigid and reactive amine groups that significantly improved the mechanical properties of EP without affecting its transparency, retaining its value for applications in optical materials.
Influence of thermal deconsolidation on the anisotropic thermal conductivity of glass fiber reinforced, pre‐consolidated polypropylene sheets used for thermoforming applications
Authors: Längauer Manuel , Zitzenbacher Gernot , Heupl Sarah , Plank Bernhard , Burgstaller Christoph , Hochenauer Christoph
Published: February 2022

Modeling how thermoplastic composites are processed using thermoforming is a challenging task, and not only due to the heterogenic nature of the material. During the thermoforming processes, the polymeric matrix has to be heated above the softening temperature, enabling the composite to be formed into three‐dimensional parts. As the system mobility increases, thermal deconsolidation takes place, and voids are created or expand within the composite sheet. These voids alter the sheet's material properties and aesthetic characteristics. The formation of gas‐filled voids in the material hinders the heat transport, resulting in longer heating times and inefficient processes. Moreover, such voids invalidate models widely used for processing thermoplastic composites. This study resulted in a novel analytical model that can be applied to calculate the anisotropic thermal conductivity of thermoplastic composites depending on the deconsolidation temperature and the fiber orientation. The model was validated by running hot disk tests on polypropylene reinforced with glass fibers (PP/GF) and applying X‐ray computed tomography to the composite samples. The samples are first consolidated in a hot‐plate press and consecutively deconsolidated in a pressure‐free process. The study findings show that the model is highly accurate within the temperature range relevant to composite processing and will be a useful asset in process modeling.
Ligand effect on the stability, reactivity, and acidity of imidazolium systems
Authors: Das Subhra , Sinha Swapan , Roymahapatra Gourisankar , De Gobinda Chandra , Giri Santanab
Published: February 2022

Imidazolium and its different N‐substituted derivatives are considered in this study to investigate their stability, reactivity, and acidity. Different aliphatic and aromatic ligands have been introduced in imidazolium to see their effect. It has been observed that the acidity of imidazolium systems increases with ligands having higher electron‐withdrawing nature. The studied systems are found to be weak acids, and weak bases can generate the corresponding carbene systems. The stability, reactivity, and aromaticity of all the systems are analyzed by using conceptual density functional theory (CDFT)‐based reactivity descriptors. Nucleus‐independent chemical shift (NICS) values lend additional support for the aromatic behavior of the studied molecules.
The Wormholes Within: A Study of 1, 3, 5‐Triamino‐2, 4, 6‐Trinitrobenzene Crystal Morphology by Micro and Nano‐Scale X‐Ray Computed Tomography and its Effects Upon the Shock Sensitivity of Detonation
Authors: Patterson Brian M. , Kuettner Lindsey , Henderson Kevin , Yeager John D. , Hill Larry
Published: February 2022

We understand heterogeneous‐explosive detonation only to the extent that we can first measure the salient chemical and microstructural features. Barring an inordinate amount of trial and error, we can tailor the detonation properties of our HE formulations only to the extent that we understand (at least qualitatively) the same effects. As an insensitive high explosive, 1, 3, 5‐triamino‐2, 4, 6‐trinitrobenzene (TATB) burns more heterogeneously than conventional high explosives, making its detonation properties sensitive to microstructure. The Benziger route can produce various grain morphologies depending on the amount of water used in the amination step. So‐called dry‐aminated (DA) TATB crystals are riddled with a void structure called wormholes, which are washed out ammonium chloride (NH4Cl) inclusions that form during synthesis. So‐called wet‐aminated (WA) TATB crystals do not contain NH4Cl inclusions but possess a very convoluted external structure. Using both micro and nano‐scale CT, we explore three DA‐TATB lots that reflect evolutionary processing changes, plus one WA‐TATB material. Micro CT imaged crystal collections show the exterior grain structure, revealing its roughness and providing a crude particle size measurement. The DA‐TATB lots that test most sensitively in the LANL ECOT corner‐turning test are roughest, having the appearance of being “corroded”. Nano‐scale CT reveals both internal NH4Cl inclusions and void structures. The DA‐TATB lots that tested intermediate and high sensitivity in ECOT exhibited similar wormhole structures, which were more extensive than that of the low‐sensitivity lot. The least sensitive DA‐TATB lot also retained more NH4Cl, consistent with reduced connectivity of voids to the surface.
Behavioural alterations in femaleAedes aegyptimosquito in response to entomopathogenic fungal infections
Authors: Mehmood Nasir , Hassan Ali , Zhou Wei , Usman Hafiz Muhammad , Ai Hui , Huang Qiuying
Published: February 2022

BACKGROUND

Due to the rapid rise in arboviral disease cases, there is a need for alternative methods of vector control since fast growing insecticides resistance is a matter of great concern. Recent studies have shown the potential of entomopathogenic fungi in controlling mosquito vectors, but behavioural responses of the mosquitoes encountering with entomopathogenic fungi are still unclear.

RESULTS

In this study, behavioural responses induced by the entomopathogenic fungusMetarhizium anisopliae(Metschnikoff) Sorokin in adult femaleAedes aegyptimosquito were evaluated. The survival of female mosquitoes was significantly reduced after exposure to medium and high concentrations of fungal conidia. A significant increase in frequencies and durations of different self‐grooming types was observed in mosquitoes exposed to medium or high concentrations of fungal conidia. Mosquitoes were able to differentiate between active and inactive fungal conidia as application of inactive conidia showed non‐significant effect on survival and self‐grooming parameters. A concentration‐specific reduction in flight locomotor activity of the female mosquitoes was found after fungal treatments. Fungal‐exposed mosquitoes showed significantly higher antifungal activity 72 h post‐application.

CONCLUSION

These findings provide greater understanding of behavioural responses of the mosquitoes to resist fungal infections and suggest that mosquitoes can remove the lower amounts of fungal conidia through self‐grooming behaviour, which they encounter within natural field conditions.
HUT‐based method for structural reliability considering the non‐normal and unknown distributions
Authors: Zhang Long‐Wen , Zhao Yan‐Gang
Published: February 2022

Structural reliability analysis involving the non‐normal random variables are commonly encountered in practical engineering. Furthermore, some random variables are often unknown probability distributions, and the probabilistic characteristic of these variables may be expressed using only statistical moments. In this contribution, an efficient algorithm for structural reliability analysis considering the random variables with non‐normal and unknown probability distributions is proposed, in which high‐order unscented transformation (HUT) and fourth‐moment methods are adopted to efficiently evaluate the structural reliability index. By introducing the Rosenblatt transformation and third‐order polynomial transformation (TPT) techniques, random variables with non‐normal or unknown distributions are transformed into standard normal distributions. Accordingly, the performance functions can be reconstructed using standard normal random variables, and HUT is then employed to efficiently estimate the first four moments (i.e., mean, standard deviation, skewness, and kurtosis) of the performance function. Based on the Hermite polynomial model, the complete expression of fourth‐moment reliability index is derived for estimating the reliability index using the first four moments of the performance function. The efficiency and accuracy of the proposed algorithm are demonstrated through six numerical examples. The results show that the proposed algorithm is applicable to estimating reliability index of both static and dynamic reliability problems involving explicit and implicit performance functions.