bluuebunny/crossref_metadata_2025 huggingface dataset:
An Attempt to Establish the Scale and Orientation of the “Map of Lobzow with Its Environs”
Authors: Banasik Piotr
Published: November 2021

This work concerns the assessment of the cartometricity of the 19th century plan of the village of Lobzow near Krakow in Poland, known as “Mapa Łob­zowa z przyległościami”. The plan has not been researched in this respect so far. The aim of this study was to establish its scale and orientation in relation to directions of the world. A high resolution raster of the plan provided by the Historical Museum of the City of Krakow was used for the study. At first, an attempt was made to clarify the date of the plan’s origin. An analysis of infor­mation contained in archival documents shows that the plan of Lobzow was most probably created between 1824 and 1852, which corresponds with the period when the large­scale cadastral map was developed in Galicia. Therefore, selected sections of this map, from the area covered by the plan, were used for research. The scale value of the Lobzow plan was calculated using the lengths of sections between selected points on the plan and map. The calculated plan scale is close to the scale of the detailed map section detailed sheet of the ca­dastral map. It was established that the plan of Lobzow has the orientation relative to magnetic north as was common in the first half of the 19th century. The mutual dependencies between the orientation of the plan and the cadastral map in relation to the direction of true geographical north were illustrated. The final result of the work was to show the changes in the topography of Lobzow that have taken place over nearly 200 years.
Set-up of a Generalized Dataset for Crack-Closure-Mechanisms of Cast Steel
Authors: Horvath Michael , Oberreiter Matthias , Stoschka Michael , Leitner Martin
Published: November 2021

In components, crack propagation is subjected to crack-closure-mechanisms which affect the build-up of the relevant threshold stress intensity factor range during cyclic loading. As structural parts are exposed to service loads incorporating a variety of load ratios, a significant change of the long-crack threshold value occurs, leading to a severe stress ratio dependency of crack-closure-mechanisms. Thus, an extensive number of crack propagation experiments is required to gain statistically proven fracture mechanical parameters describing the build-up of closure effects as crack growth resistance curves.The article presents a generalized dataset to assess the formation of crack-closure-mechanisms of cast steel G21Mn5+N. Numerous crack propagation experiments utilizing single edge notched bending (SENB) sample geometries are conducted, incorporating alternate to tumescent stress ratios. The statistically derived, generalized crack growth resistance curve features the impact of closure effects on the crack propagation rate in a uniform manner. To extend the dataset to arbitrary load ratios, the long-crack threshold approach according to Newman is invoked. The generalized dataset for the cast steel G21Mn5+N is validated by analytical fracture mechanical calculations for the utilized SENB-sample geometries. Incorporating a modified NASGRO equation, a sound correlation of analytical and experimental crack propagation rates is observed. Moreover, the derived master crack propagation resistance curve is implemented as a user-defined script into a numerical crack growth calculation tool and supports a local, node--based numerical crack propagation study as demonstrated for a representative SENB-sample. Concluding, the derived dataset facilitates the calculation of fatigue life of crack-affected cast steel components subjected to arbitrary stress ratios.
Reversible phosphorylation of cyclin T1 promotes assembly and stability of P-TEFb
Authors: Huang Fang , Nguyen Trang TT , Echeverria Ignacia , Rakesh Ramachandran , Cary Daniele C , Paculova Hana , Sali Andrej , Weiss Arthur , Peterlin Boris Matija , Fujinaga Koh
Published: November 2021

The positive transcription elongation factor b (P-TEFb) is a critical coactivator for transcription of most cellular and viral genes, including those of HIV. While P-TEFb is regulated by 7SK snRNA in proliferating cells, P-TEFb is absent due to diminished levels of CycT1 in quiescent and terminally differentiated cells, which has remained unexplored. In these cells, we found that CycT1 not bound to CDK9 is rapidly degraded. Moreover, productive CycT1:CDK9 interactions are increased by PKC-mediated phosphorylation of CycT1 in human cells. Conversely, dephosphorylation of CycT1 by PP1 reverses this process. Thus, PKC inhibitors or removal of PKC by chronic activation results in P-TEFb disassembly and CycT1 degradation. This finding not only recapitulates P-TEFb depletion in resting CD4+ T cells but also in anergic T cells. Importantly, our studies reveal mechanisms of P-TEFb inactivation underlying T cell quiescence, anergy, and exhaustion as well as proviral latency and terminally differentiated cells.
Single-cell RNA sequencing of the Strongylocentrotus purpuratus larva reveals the blueprint of major cell types and nervous system of a non-chordate deuterostome
Authors: Paganos Periklis , Voronov Danila , Musser Jacob M , Arendt Detlev , Arnone Maria Ina
Published: November 2021

Identifying the molecular fingerprint of organismal cell types is key for understanding their function and evolution. Here, we use single-cell RNA sequencing (scRNA-seq) to survey the cell types of the sea urchin early pluteus larva, representing an important developmental transition from non-feeding to feeding larva. We identify 21 distinct cell clusters, representing cells of the digestive, skeletal, immune, and nervous systems. Further subclustering of these reveal a highly detailed portrait of cell diversity across the larva, including the identification of neuronal cell types. We then validate important gene regulatory networks driving sea urchin development and reveal new domains of activity within the larval body. Focusing on neurons that co-express Pdx-1 and Brn1/2/4, we identify an unprecedented number of genes shared by this population of neurons in sea urchin and vertebrate endocrine pancreatic cells. Using differential expression results from Pdx-1 knockdown experiments, we show that Pdx1 is necessary for the acquisition of the neuronal identity of these cells. We hypothesize that a network similar to the one orchestrated by Pdx1 in the sea urchin neurons was active in an ancestral cell type and then inherited by neuronal and pancreatic developmental lineages in sea urchins and vertebrates.
Evaluating whole-genome sequencing quality metrics for enteric pathogen outbreaks
Authors: Wagner Darlene D. , Carleton Heather A. , Trees Eija , Katz Lee S.
Published: November 2021

Background

Whole genome sequencing (WGS) has gained increasing importance in responses to enteric bacterial outbreaks. Common analysis procedures for WGS, single nucleotide polymorphisms (SNPs) and genome assembly, are highly dependent upon WGS data quality.

Methods

Raw, unprocessed WGS reads from Escherichia coli, Salmonella enterica, and Shigella sonnei outbreak clusters were characterized for four quality metrics: PHRED score, read length, library insert size, and ambiguous nucleotide composition. PHRED scores were strongly correlated with improved SNPs analysis results in E. coli and S. enterica clusters.

Results

Assembly quality showed only moderate correlations with PHRED scores and library insert size, and then only for Salmonella. To improve SNP analyses and assemblies, we compared seven read-healing pipelines to improve these four quality metrics and to see how well they improved SNP analysis and genome assembly. The most effective read healing pipelines for SNPs analysis incorporated quality-based trimming, fixed-width trimming, or both. The Lyve-SET SNPs pipeline showed a more marked improvement than the CFSAN SNP Pipeline, but the latter performed better on raw, unhealed reads. For genome assembly, SPAdes enabled significant improvements in healed E. coli reads only, while Skesa yielded no significant improvements on healed reads.

Conclusions

PHRED scores will continue to be a crucial quality metric albeit not of equal impact across all types of analyses for all enteric bacteria. While trimming-based read healing performed well for SNPs analyses, different read healing approaches are likely needed for genome assembly or other, emerging WGS analysis methodologies.
Biogeographic evidence supports the Old Amazon hypothesis for the formation of the Amazon fluvial system
Authors: Méndez-Camacho Karen , Leon-Alvarado Omar , Miranda-Esquivel Daniel R.
Published: November 2021

The Amazon has high biodiversity, which has been attributed to different geological events such as the formation of rivers. The Old and Young Amazon hypotheses have been proposed regarding the date of the formation of the Amazon basin. Different studies of historical biogeography support the Young Amazon model, however, most studies use secondary calibrations or are performed at the population level, preventing evaluation of a possible older formation of the Amazon basin. Here, we evaluated the fit of molecular phylogenetic and biogeographic data to previous models regarding the age of formation of the Amazon fluvial system. We reconstructed time-calibrated molecular phylogenies through Bayesian inference for six taxa belonging to Amphibia, Aves, Insecta and Mammalia, using both, nuclear and mitochondrial DNA sequence data and fossils as calibration points, and explored priors for both data sources. We detected the most plausible vicariant barriers for each phylogeny and performed an ancestral reconstruction analysis using areas bounded by major Amazonian rivers, and therefore, evaluated the effect of different dispersal rates over time based on geological and biogeographical information. The majority of the genes analyzed fit a relaxed clock model. The log normal distribution fits better and leads to more precise age estimations than the exponential distribution. The data suggested that the first dispersals to the Amazon basin occurred to Western Amazonia from 16.2–10.4 Ma, and the taxa covered most of the areas of the Amazon basin between 12.2–6.2 Ma. Additionally, regardless of the method, we obtained evidence for two rivers: Tocantins and Madeira, acting as vicariant barriers. Given the molecular and biogeographical analyses, we found that some taxa were fitted to the “Old Amazon” model.
Kāinga: People, Land, Belonging
Authors: Tapsell Paul
Published: November 2021

‘Dare we elevate kāinga as a way of achieving regionalised ecological accountability, and in the process can we bring humanity back into balance with the universe?’ Through his own experience and the stories of his tīpuna, Paul Tapsell (Te Arawa, Tainui) charts the impact of colonisation on his people. Alienation from kāinga and whenua becomes a wider story of environmental degradation and system collapse. This book is an impassioned plea to step back from the edge. It is now up to the Crown, Tapsell writes, to accept the need for radical change. The ecological costs of colonisation are clear, and yet those same extractive and exploitative models remain foundational today. Only a complete step-change, one that embraces kāinga, can transform our lands and waterways, and potentially become a source of inspiration to the world.
A single evolutionarily divergent mutation determines the different FAD‐binding affinities of human and rat NQO1 due to site‐specific phosphorylation
Authors: Pacheco‐Garcia Juan Luis , Loginov Dmitry , Rizzuti Bruno , Vankova Pavla , Neira Jose L. , Kavan Daniel , Mesa‐Torres Noel , Guzzi Rita , Man Petr , Pey Angel L.
Published: November 2021

The phosphomimetic mutation S82D in the cancer‐associated, FAD‐dependent human NADP(H):quinone oxidoreductase 1 (hNQO1) causes a decrease in flavin‐adenine dinucleotide‐binding affinity and intracellular stability. We test in this work whether the evolutionarily recent neutral mutation R80H in the vicinity of S82 may alter the strong functional effects of S82 phosphorylation through electrostatic interactions. We show using biophysical and bioinformatic analyses that the reverse mutation H80R prevents the effects of S82D phosphorylation on hNQO1 by modulating the local stability. Consistently, in rat NQO1 (rNQO1) which contains R80, the effects of phosphorylation were milder, resembling the behaviour found in hNQO1 when this residue was humanized in rNQO1 (by the R80H mutation). Thus, apparently neutral and evolutionarily divergent mutations may determine the functional response of mammalian orthologues towards phosphorylation.
A functionally divergent transcription elongation factor 1‐like protein in Toxoplasma gondii
Authors: Mitra Pallabi , Deshmukh Abhijit S. , Banerjee Sneha , Khandavalli Chittiraju , Choudhury Chinmayee
Published: November 2021

Zinc ribbons, one of the largest fold groups among zinc fingers, often include proteins involved in the transcription machinery. Here, we identify and characterize one such zinc ribbon‐bearing protein in the apicomplexan parasite Toxoplasma gondii, annotated as putative transcription elongation factor 1 (ELF1), with predicted functions in transcription and chromatin maintenance. We show that this ELF1 homolog, referred to as T. gondii ELF1‐like divergent (TgELD), is expressed in both tachyzoite and bradyzoite developmental stages. TgELD associates with the cytoskeleton in the tachyzoites, while it transiently becomes a part of the cyst wall in the early bradyzoites, followed by a cytosolic and peripheral localization in late bradyzoites. TgELD is phosphorylated by a casein kinase 2‐like protein, which has potential implications for its localization and function in the parasite.
COVID‐19 exposure, pandemic‐related appraisals, coping strategies, and psychological symptoms among the frontline medical staff and gender differences in coping processes
Authors: Chen Chen , Guan Ziqi , Sun Liqun , Zhou Ting , Guan Ruiyuan
Published: November 2021

This study sought to explore the effects of COVID‐19 exposure, pandemic‐related appraisals and coping strategies on psychological symptoms among the front‐line healthcare workers based on the transactional theory of stress and coping. A cross‐sectional study was conducted in a Wuhan hospital designated for inpatients with COVID‐19, assessing COVID‐19 exposure (whether or not exposed to confirmed patients at workplace), psychological symptoms, appraisals, and coping strategies in 311 participants. Results revealed that the pandemic markedly affected healthcare workers' mental well‐being through appraisal and coping, with 38.9% reporting high levels of psychological symptoms. Primary appraisal related closely with COVID‐19 exposure, especially in female, while secondary appraisal was associated with problem‐focused coping. Both problem‐focused and emotion‐focused coping had a protective effect against psychological symptoms, but also showed gender differences in its relations with other variables. These findings could potentially benefit to enrich relevant theories, and to develop psychological programs for future epidemics.
Bottom‐Up‐Etching‐Mediated Synthesis of Large‐Scale Pure Monolayer Graphene on Cyclic‐Polishing‐Annealed Cu(111)
Authors: Yao Wenqian , Zhang Jianing , Ji Jie , Yang He , Zhou Binbin , Chen Xin , Bøggild Peter , Jepsen Peter U. , Tang Jilin , Wang Fuyi , Zhang Li , Liu Jiahui , Wu Bin , Dong Jichen , Liu Yunqi
Published: November 2021

Synthesis of large‐scale single‐crystalline graphene monolayers without multilayers involves the fabrication of proper single‐crystalline substrates and the ubiquitous formation of multilayered graphene islands during chemical vapor deposition. Here, a method of cyclic electrochemical polishing combined with thermal annealing, which allows the conversion of commercial polycrystalline Cu foils to single‐crystal Cu(111) with an almost 100% yield, is presented. A global “bottom‐up‐etching” method that is capable of fabricating large‐area pure single‐crystalline graphene monolayers without multilayers through selectively etching bottom multilayered graphene underneath large area as‐grown graphene monolayer on Cu(111) surface is demonstrated. Terahertz time‐domain spectroscopy (THz‐TDS) measurement of the pure monolayer graphene film shows a high average sheet conductivity of 2.8 mS and mean carrier mobility of 6903 cm2 V−1 s−1 over a large area. Density functional theory (DFT) calculations show that the selective etching is induced by the much easier diffusion of hydrogen atoms than hydrocarbon radicals across the edges of the top graphene layer, and the simulated selective etching processes based on phase field modeling are well consistent with experimental observations. This work provides new ways toward the production of single‐crystal Cu(111) and the synthesis of pure monolayer graphene with high electronic quality.
Binding of Natural Peptide Ligands to the Neuropeptide Y5 Receptor
Authors: Rudolf Sarina , Kaempf Kerstin , Vu Oanh , Meiler Jens , Beck‐Sickinger Annette G. , Coin Irene
Published: November 2021

The binding mode of natural peptide ligands to the Y5 G protein‐coupled receptor (Y5R), an attractive therapeutic target for the treatment of obesity, is largely unknown. Here, we apply complementary biochemical and computational approaches, including scanning of the receptor surface with a genetically encoded crosslinker, Ala‐scanning of the ligand and double‐cycle mutagenesis, to map interactions in the ligand‐receptor interface and build a structural model of the NPY‐Y5R complex guided by the experimental data. In the model, the carboxyl (C)‐terminus of bound NPY is placed close to the extracellular loop (ECL) 3, whereas the characteristic α‐helical segment of the ligand drapes over ECL1 and is tethered towards ECL2 by a hydrophobic cluster. We further show that the other two natural ligands of Y5R, peptide YY (PYY) and pancreatic polypeptide (PP) dock to the receptor in a similar pose.
Nanoconfinement Engineering over Hollow Multi‐Shell Structured Copper towards Efficient Electrocatalytical C−C coupling
Authors: Liu Chunxiao , Zhang Menglu , Li Jiawei , Xue Weiqing , Zheng Tingting , Xia Chuan , Zeng Jie
Published: November 2021

Nanoconfinement provides a promising solution to promote electrocatalytic C−C coupling, by dramatically altering the diffusion kinetics to ensure a high local concentration of C1intermediates for carbon dimerization. Herein, under the guidance of finite‐element method simulations results, a series of Cu2O hollow multi‐shell structures (HoMSs) with tunable shell numbers were synthesized via Ostwald ripening. When applied in CO2electroreduction (CO2RR), the in situ formed Cu HoMSs showed a positive correlation between shell numbers and selectivity for C2+products, reaching a maximum C2+Faradaic efficiency of 77.0±0.3 % at a conversion rate of 513.7±0.7 mA cm−2in a neutral electrolyte. Mechanistic studies clarified the confinement effect of HoMSs that superposition of Cu shells leads to a higher coverage of localized CO adsorbate inside the cavity for enhanced dimerization. This work provides valuable insights for the delicate design of efficient C−C coupling catalysts.
Altering Chain Flexibility of Aliphatic Polyesters for Yellow‐Green Clusteroluminescence in 38 % Quantum Yield
Authors: Chu Bo , Zhang Haoke , Hu Lanfang , Liu Bin , Zhang Chengjian , Zhang Xinghong , Tang Ben Zhong
Published: November 2021

Preparation of non‐conjugated polymers with long‐wavelength emission and high quantum yield (QY) is still a huge challenge. Herein, we report the first example of linear non‐conjugated polyester exhibiting yellow–green clusteroluminescence (CL) and a high QY of 38 %. We discovered that the polyester P3 with balanced flexibility and rigidity showed the longest CL wavelength and highest QY. Systematically photophysical characterization unravel the key role of ester cluster in the CL and the cluster formation via the aggregate of ester units was visualized. Moreover, P3 was demonstrated to be a highly selective, quick‐responsive (ca. 1.2 min) and sensitive detector (detection limit is 0.78 μM) for irons owing to the fast disassociation of clusters by irons. This work not only gains further mechanistic insight into CL but also provides a new strategy to design high‐efficiency and long‐wavelength CL, meanwhile, enlightens the glorious application prospect of luminescent polyester.
External reproductive structures of male Surfperches (Embiotocidae): Urogenital papilla
Authors: Bond Evelyn Ruelas , Forsgren Kristy L.
Published: November 2021

Fishes exhibit a dynamic array of reproductive diversity. Among the various forms of reproduction, internal fertilization has evolved at least 13 times and has been observed in 2–3% of teleost species, half of which are marine. Internal fertilization has led to the evolution of male intromittent organs to aid in sperm transfer during copulation. The intromittent organs of poeciliids have been widely investigated, but little research has focused on the intromittent organs of marine fishes. The surfperches are internally fertilizing, viviparous fishes with a ventrally located papilla. In this article, the external morphology of 19 Embiotocidae species was examined. Additionally, paraffin histology was used to investigate the walleye surfperch (Hyperprosopon argenteum), black perch (Embiotoca jacksoni), and dwarf perch (Micrometrus minimus) papilla to aid in the identification of tissue composition to determine its function. External morphology was documented via macro photography and males were dissected to observe the relationship between the testes, spermatic duct, and papilla. We provide histological evidence that the urogenital papilla is directly connected to the spermatic duct and testis and likely involved in spermatozeugmata transfer. Our research also determined that the papillae were composed of both urinary and reproductive tissues, thus we propose the papilla be referred to as a urogenital papilla. Our study contributes to an overall understanding of intromittent organs of marine fishes, particularly in the surfperches, which has not been previously documented.
Heterocycle‐modified 2′‐Deoxyguanosine Nucleolipid Analogs Stabilize Guanosine Gels and Self‐assemble to Form Green Fluorescent Gels
Authors: Walunj Manisha B. , Srivatsan Seergazhi G.
Published: November 2021

Nucleoside‐lipid conjugates are very useful supramolecular building blocks to construct self‐assembled architectures suited for biomedical and material applications. Such nucleoside derivatives can be further synthetically manipulated to endow additional functionalities that could augment the assembling process and impart interesting properties. Here, we report the design, synthesis and self‐assembling process of multifunctional supramolecular nucleolipid synthons containing an environment‐sensitive fluorescent guanine. The amphiphilic synthons are composed of an 8‐(2‐(benzofuran‐2‐yl)vinyl)‐guanine core and alkyl chains attached to 3′‐O and 5′‐O‐positions of 2′‐deoxyguanosine. The 2‐(benzofuran‐2‐yl)vinyl (BFV) moiety attached at the C8 position of the nucleobase adopted a syn conformation about the glycosidic bond, which facilitated the self‐assembly process through the formation of a G‐tetrad as the basic unit. While 3′,5′‐diacylated BFV‐modified dG analog stabilized the guanosine hydrogel by hampering the crystallization process and imparted fluorescence, BFV‐modified dGs containing longer alkyl chains formed a green fluorescent organogel, which transformed into a yellow fluorescent gel in the presence of a complementary non‐fluorescent cytidine nucleolipid. The ability of the dG analog containing short alkyl chains to modulate the mechanical property of a gel, and interesting fluorescence properties and self‐assembling behavior exhibited by the dG analogs containing long alkyl chains in response to heat and complementary base underscore the potential use of these new supramolecular synthons in material applications.
A Comparative Study on Essential Oil Profile and Antioxidant Activity in Different Parts of Three Ferulago Species
Authors: Narimani Rasoul , Moghaddam Mohammad , Mahmoodi Sourestani Mohammad , Samiei Leila
Published: November 2021

In the present study, the phytochemical features of the essential oils from leaves, flowers, and fruits in three Ferulago species including F. angulata, F. carduchorum, and F. contracta was investigated. The essential oils were extracted using the hydrodistillation method and analyzed by GC‐FID and GC/MS. The essential oil content varied between 0.46 to 2.65 % (v/w) among the various parts of the studied species. Monoterpene hydrocarbons (leaves: 34.80–78.76 %, flowers: 88.67–94.26 %, fruits: 89.54–94.21 %) constituted the main fraction of three Ferulago species. The major compounds of the essential oil among the species were α‐pinene (15.01–22.16 %), β‐phellandrene (2.48–14.73 %), α‐phellandrene (0.52–13.8 %), and germacrene B (0.11–13.28 %) in leaves; (Z)‐β‐ocimene (38.46–47.21 %), α‐pinene (10.25–18.32 %), and α‐phellandrene (5.07–9.44 %) in flowers; (Z)‐β‐ocimene (10.21–41.19 %), α‐phellandrene (7.51–31.89 %), α‐pinene (8.96–17.71 %), β‐phellandrene (7.24–17.44 %), terpinolene (2.90–7.77 %), and δ‐3‐carene (1.57–7.66 %) in fruits. The classical antioxidant activity of the essential oils was assessed using the DPPH method. The fruit essential oils of the studied species induced a significant level of antioxidant activity compared to ascorbic acid (EC50=50.24 μg/mL). The highest level of antioxidant activity was found in F. carduchorum (EC50=68.75 μg/mL) fruits essential oil. Ferulago species, therefore, have the potential to be utilized as natural antioxidants in the pharmaceutical, food or cosmetic industries owing to their high level of antioxidant activity.
Structural Characterization of Polysaccharides Isolated from Panax notoginseng Medicinal Residue and Its Protective Effect on Myelosuppression Induced by Cyclophosphamide
Authors: Liu Yanhong , Li Shuang , Pu Mengdi , Qin Huayan , Wang Hong , Zhao Yunqi , Chen Tong
Published: November 2021

This study aims to establish the isolation and purification method of polysaccharides from medicinal residue of Panax notoginseng (PPN). The structure and protective effect of PPN on myelosuppression mice were investigated. One neutral polysaccharide (NPPN) and five acidic polysaccharides (APPN I, APPN II‐A, APPN II‐B, APPN III‐A, and APPN III‐B) were obtained. The results confirmed that NPPN, APPN I and APPN II‐A are glycan with 1, 4 main chains. APPN III‐A is a glycan. APPN II‐B and APPN III‐B are homogalacturonan pectin with 1, 4 main chains. This study demonstrated that NPPN played a bone marrow protective role in myelosuppression mice induced by cyclophosphamide. NPPN could relieve cell cycle arrest, reduce the apoptosis rate of marrow cells, and improve granulocyte‐macrophage colony‐stimulating (GM‐CSF), thermoplastic polyolefin (TPO) and erythropoietin (EPO) serum level, which contributes to promoting the proliferation of hematopoietic cells.
Overexpression and Characterization of a Novel Plant Carotenoid Cleavage Dioxygenase 1 from Morus notabilis
Authors: Qi Zhipeng , Fan Xianyu , Zhu Chunyi , Chang Dongsheng , Pei Jianjun , Zhao Linguo
Published: November 2021

Synthesis of β‐ionone in microbial cell factories is limited by the efficiency of carotenoid cleavage dioxygenases (CCDs). To obtain genes responsible for specific cleavage of carotenoids generating β‐ionone, a novel carotenoid cleavage dioxygenase 1 from Morus notabilis was cloned and overexpressed in Escherichia coli. The MnCCD1 protein was able to cleave a variety of carotenoids at the positions 9, 10 (9′, 10′) to produce β‐ionone, 3‐hydroxy‐4‐oxo‐β‐ionone, 3‐hydroxy‐β‐ionone, and 3‐hydroxy‐α‐ionone in vitro. MnCCD1 could also cleave lycopene and β‐carotene at the 9, 10 (9′, 10′) bind bond to produce pseudoionone and β‐ionone, respectively, in E. coli accumulating carotenoids. The enzyme activity of MnCCD1 was reached 2.98 U/mL at optimized conditions (temperature 28 °C, IPTG 0.1 mM, induction time 24 h). The biochemical characterization of MnCCD1 revealed the optimal activities were at pH 8.4 and 35 °C. The addition of 10 % ethanol could increase enzyme activity at above 15 %. However, an obvious decline was observed on enzyme activity as the concentration of Fe2+ increased (0–1 mM). The Vmax for β‐apo‐8′‐carotenal was 72.5 U/mg, while the Km was 0.83 mM. The results provide a foundation for developing the application of carotenoid cleavage dioxygenases as biocatalysis and synthetic biology platforms to produce volatile aroma components from carotenoids.
Massive pericardial effusion as the first manifestation of childhood non‐Hodgkin's lymphoma: A case report
Authors: Alizadeh Behzad , Shaye Zahra , Badiea Zahra , Dehghanian Paria
Published: November 2021

Although one of the serious manifestations of advanced malignancies is pericardial involvement, pericardial involvement of lymphoma is extremely rare. We present a case of a 6‐year‐old girl arriving at the hospital with dyspnea and pleuritic chest pain, which is eventually diagnosed with massive pericardial effusion due to mediastinal non‐Hodgkin lymphoma.
Concomitant decalcification of the anterior mitral leaflet via the aortic annulus during aortic valve replacement for significant aortic and mitral stenoses
Authors: Furuta Akihisa , Mukai Shogo , Morimoto Hironobu , Kitaura Junya , Futagami Daisuke
Published: November 2021

An 82‐year‐old man undergoing regular hemodialysis with substantial aortic and mitral valve stenoses underwent aortic valve replacement with concomitant mitral decalcification via the aortic annulus. Postoperative transthoracic echocardiography showed reduced mitral stenosis. The patient was discharged on the 14th postoperative day uneventfully.
Rapidly destructive coxarthrosis accompanied by fluctuating C‐reactive protein level
Authors: Shimizu Hayato , Nishioka Hiroaki
Published: November 2021

Rapidly destructive coxarthrosis is a rare entity of unknown etiology that is characterized by rapid hip joint destruction. Blood tests are thought to be non‐specific. However, we herein show a patient with rapidly destructive coxarthrosis, which was accompanied by fluctuating C‐reactive protein level.
Mechanism‐Based Approach to Reagent Selection for Oxidative Carbon−Hydrogen Bond Cleavage Reactions
Authors: Miller Jenna L. , Zhou Lin , Liu Peng , Floreancig Paul E.
Published: November 2021

Numerous hydride‐abstracting agents generate the same cationic intermediate, but substrate features such as intermediate cation stability, oxidation potential, and steric environment can influence reaction rates in an oxidant‐dependent manner. This manuscript provides experimental data to illustrate the role that structural features play in the kinetics of hydride abstraction reactions with commonly used quinone‐, oxoammonium ion‐, and carbocation‐ based oxidants. Computational studies of the transition state structures and energies explain these results and energy decomposition analysis calculations reveal unique sensitivities to electrostatic attraction and steric repulsions. Rigorous rate studies of select reactions validated the capacity of the calculations to predict reactivity trends. Additionally, kinetics studies demonstrate the potential for product inhibition in DDQ‐mediated reactions. These studies provide a clear guide to select the optimal oxidant for structurally disparate substrates and lead to predictions of reactivity that were validated experimentally.
Assessment of Pharmacokinetic Interaction Between Gefapixant (MK‐7264), a P2X3 Receptor Antagonist, and the OATP1B1 Drug Transporter Substrate Pitavastatin
Authors: McCrea Jacqueline B. , Hussain Azher , Ma Bennett , Garrett Graigory C. , Evers Raymond , Laabs John E. , Stoch S. Aubrey , Iwamoto Marian
Published: November 2021

Gefapixant (MK‐7264, AF‐219), a first‐in‐class P2X3 antagonist, is being developed as oral treatment for refractory or unexplained chronic cough. Based on in vitro data, gefapixant exerts inhibitory activity on the organic anion transporter (OAT) P1B1 transporter. Therefore, a drug‐drug interaction study evaluating the potential effects of gefapixant on the OATP1B1 drug transporter, using pitavastatin as a sensitive probe substrate, was conducted. An open‐label, 2‐period, fixed‐sequence study in 20 healthy adults 18 to 55 years old was conducted. In period 1, a 1‐mg oral dose of pitavastatin was administered to each participant. After a ≥4‐day washout, in period 2 participants received a 45‐mg oral dose of gefapixant twice daily on days 1 through 4. On day 2 of period 2, pitavastatin was coadministered with the morning dose of gefapixant. Pitavastatin exposures following single‐dose administration with and without multiple doses of gefapixant were similar: geometric mean ratio (90% confidence interval) of pitavastatin area under the plasma concentration–time curve from time 0 to infinity (AUC0‐∞) (pitavastatin + gefapixant/pitavastatin alone) was 0.97 (0.93‐1.02). The ratio of pitavastatin lactone AUC0‐∞ to pitavastatin AUC0‐∞ was also comparable between treatments. Administration of gefapixant and pitavastatin was generally well tolerated, with no safety findings of concern. These results support that gefapixant has a low potential to inhibit the OATP1B1 transporter.
Dissociative Adsorption of H2S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations
Authors: Sangolkar Akanksha Ashok , Agrawal Rubi , Pawar Ravinder
Published: November 2021

The information concerning dissociative adsorption of H2S on Li surface is inadequate and the mechanistic insight for its complete dissociation is yet to be explored. The present investigation aims to scrutinize the dissociative adsorption of H2S on Li(110) surface using density functional theory calculations. The climbing image nudged elastic band calculation was employed to unveil the relative energy profiles for S−H dissociation. To elucidate the components of interaction energy responsible for stabilizing the adsorbed moieties on the surface, periodic energy decomposition analysis was performed. A Car‐Parrinello molecular dynamics (CPMD) simulation was performed to understand the dynamic behaviour of H2S on Li(110). Results vividly demonstrates: (i) partially dissociated product with perpendicular S−H is comparatively stable than the parallel SH, (ii) completely dissociated moieties H/H/S are the most stable among all, (iii) dissociation of first S−H is barrierless and the second S−H dissociation is a low energy barrier reaction, (iv) complete dissociation of H2S occurs in a stepwise manner, (v) orbital and electrostatic contributions of the interaction energy plays a vital role in stabilizing the dissociated moieties, and (vi) stepwise dissociation of H2S was further reinforced by CPMD.
Testing the role of body size and litter depth on invertebrate diversity across six forests in North America
Authors: Roeder Karl A. , Benson Brittany R. , Weiser Michael D. , Kaspari Michael
Published: November 2021

Ecologists search for rules by which traits dictate the abundance and distribution of species. Here we search for rules that apply across three common taxa of litter invertebrates in six North American forests from Panama to Oregon. We use image analysis to quantify the abundance and body size distributions of mites, springtails, and spiders in 21 1‐m2 plots per forest. We contrast three hypotheses: two of which focus on trait–abundance relationships and a third linking abundance to species richness. Despite three orders of magnitude variation in size, the predicted negative relationship between mean body size and abundance per area occurred in only 18% of cases, never for large bodied taxa like spiders. We likewise found only 18% of tests supported our prediction that increasing litter depth allows for high abundance; two‐thirds of which occurred at a single deciduous forest in Massachusetts. In contrast, invertebrate abundance constrained species richness 76% of the time. Our results suggest that body size and habitat volume in brown food webs are rarely good predictors of variation in abundance, but that variation in diversity is generally well predicted by abundance.
Stereoselective Synthesis of Azacycles Induced by Group 8–11 Late Transition Metals
Authors: Molnár Árpád
Published: November 2021

The aim of the present minireview is to summarize and discuss recent advances in the field of stereoselective synthesis of azacycles. The focus is on studies that appeared in the last two years to illustrate recent trends with a handful of examples from 2019 highlighting an important field of enantioselective chemistry. Results collected and discussed here show that syntheses catalyzed by late transition metals of group 8–11 afford products in high yield with high stereoselectivity, often under mild reaction conditions thereby demonstrating their efficacy to afford valuable products. Plausible reaction mechanisms for most transformations are also discussed.
Assessing Potential Environmental Impacts of Pesticide Usage in Paddy Ecosystems: A Case Study in the Deduru Oya River Basin, Sri Lanka
Authors: Jayasiri Maveekumbure M. J. G. C. N. , Yadav Sudhir , Propper Catherine R. , Kumar Virender , Dayawansa Nandani D. K. , Singleton Grant R.
Published: November 2021

Rice paddies are unique ecosystems that provide rich wetland habitat. Their enduring existence across vast stretches of land has led them to evolve into unique systems serving a diverse assemblage of organisms and sustaining a staple grain for many people. With food demand rising, agricultural intensification through agrochemical application is a common practice used to boost food production in developing countries, including Sri Lanka. The aim of the present study was to assess the concentration of pesticide residues in water in rice ecosystems and discover their potential impacts on both environmental health and the most common fauna groups across a cropping year in Sri Lanka. A total of 270 water samples from waters associated with paddy fields within a watershed were analyzed for 20 commonly used pesticides; in addition, local farm holders were surveyed to assess pesticide usage details in three selected paddy tracts. We then used the Cornell University environmental impact quotient (EIQ) calculator and the ECOTOX Knowledgebase to determine the exposure risk associated with individual pesticides relative to their application rates and aquatic concentrations. Survey results demonstrate that several pesticides were overapplied at rates 1.2–11 times the recommended application, and the EIQ demonstrated high environmental risk of two of the agrochemicals detected, 2-methyl-4-chlorophenoxyacetic and diazinon. Fish, amphibians, insects, and beetles were found to have a wide range of potential adverse outcomes from exposure to diazinon, captan, thiamethoxam, and chlorantraniliprole. To balance the trade-offs between food security and ecosystem sustainability, the present study recommends that adoption of quantifiable environmental health indicators be considered as part of the national policy regulating pesticide use. Environ Toxicol Chem 2022;41:343–355. © 2021 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.

Abstract

Overuse of pesticides has led to the violation of the balance between food security and ecosystem sustainability.
Snow drought reduces water transit times in headwater streams
Authors: Segura Catalina
Published: November 2021

Knowledge of water transit times through watersheds is fundamental to understand hydrological and biogeochemical processes. However, its prediction is still elusive, particularly in mountainous terrain where physiography and precipitation change over short distances. In addition, much remains to be studied about the impact of climate change on transit time as it continues to change precipitation form in mountainous terrain. Water isotopic ratios were used to evaluate mean transit time (MTT) and young water fractions () in seven small mountainous watersheds in western Oregon over the 2014–2018 period that included a major regional snow drought in 2015. The MTT was shorter in 2015 across all watersheds compared to any other year while the was larger in 2015 than in any other year. The short transit times observed in 2015 could be related to low connectivity between surface water and older ground water which resulted in a homogenous hydrologic response across all the investigated watersheds despite their physiographical differences. The 2016–2018 MTT vary widely across all watersheds but especially within the smaller high elevation watersheds indicating that the impact of the 2015 snow drought was stronger for systems that depend heavily on snowmelt inputs. During relatively wet/cold years intrinsic watershed characteristics such as drainage area and terrain roughness explained some of the variability in transit time metrics across all watersheds. Shorter transit times during the drought have implications for water quality and solute concentrations as biogeochemical processes are controlled in part by the time water resides and interacts within the subsurface. Although the impact of the 2015 snow drought appears short‐lived these results are particularly critical considering the expected regional snowpack decline as the climate warms in the western United States.
Endoplasmic stress‐inducing variants in CPB1 and CPA1 and risk of pancreatic cancer: A case‐control study and meta‐analysis
Authors: Kawamoto Makoto , Kohi Shiro , Abe Toshiya , Dbouk Mohamad , Macgregor‐Das Anne , Koi Chiho , Song Ki‐Byung , Borges Michael , Sugimine Ryo , Laheru Daniel , Hruban Ralph H. , Roberts Nicholas , Klein Alison P. , Goggins Michael
Published: November 2021

Gene variants that encode pancreatic enzymes with impaired secretion can induce pancreatic acinar endoplasmic reticulum (ER) stress, cellular injury and pancreatitis. The role of such variants in pancreatic cancer risk has received little attention. We compared the prevalence of ER stress‐inducing variants in CPA1 and CPB1 in patients with pancreatic ductal adenocarcinoma (PDAC cases), enrolled in the National Familial Pancreas Tumor Registry, to their prevalence in noncancer controls in the Genome Aggregation Database (gnomAD). Variants of unknown significance were expressed and variants with reduced secretion assessed for ER stress induction. In vitro assessments were compared with software predictions of variant function. Protein variant software was used to assess variants found in only one gnomAD control (“n‐of‐one” variants). A meta‐analysis of prior PDAC case/control studies was also performed. Of the 1385 patients with PDAC, 0.65% were found to harbor an ER stress‐inducing variant in CPA1 or CPB1, compared to 0.17% of the 64 026 controls (odds ratio [OR]: 3.80 [1.92‐7.51], P = .0001). ER stress‐inducing variants in the CPA1 gene were identified in 4 of 1385 PDAC cases vs 77 of 64 026 gnomAD controls (OR: 2.4 [0.88‐6.58], P = .087), and variants in CPB1 were detected in 5 of 1385 cases vs 33 of 64 026 controls (OR: 7.02 [2.74‐18.01], P = .0001). Meta‐analysis demonstrated strong associations for pancreatic cancer and ER‐stress inducing variants for both CPA1 (OR: 3.65 [1.58‐8.39], P < .023) and CPB1 (OR: 9.51 [3.46‐26.15], P < .001). Rare variants in CPB1 and CPA1 that induce ER stress are associated with increased odds of developing pancreatic cancer.
Risk of Pregabalin‐Induced Hypoglycemia: Analysis of the Japanese Adverse Drug Event Report Database
Authors: Yamada Tomoyuki , Mitsuboshi Satoru , Makino Junko , Suzuki Kaoru , Nishihara Masami , Neo Masashi
Published: November 2021

Pregabalin is a first‐line treatment option for neuropathic pain. Recently, some cases of pregabalin‐induced hypoglycemia have been reported, which can complicate the treatment of neuropathic pain and worsen patient outcomes. Therefore, a better understanding of the clinical condition of patients with pregabalin‐induced hypoglycemia is desirable. In this study, we evaluated the risk of hypoglycemia in patients administered pregabalin, using the Japanese Adverse Drug Event Report database. All patients on pregabalin not taking any antidiabetic agents were screened from April 2004 to July 2020, and data on adverse events related to hypoglycemia, sex, age, weight, and the presence of chronic kidney disease were collected. Gabapentin and duloxetine, which are usually indicated for neuropathic pain, were used for comparison. Among 242 275 patients, 4287 were administered pregabalin, which included 37 patients who reported hypoglycemic incidents. Disproportionality of hypoglycemia was observed in patients administered pregabalin (reporting odds ratio, 2.25; 95%CI, 1.16‐3.13; P < .01), whereas this was not the case in patients taking gabapentin and duloxetine. Multivariate logistic regression showed that hypoglycemia in patients on pregabalin was associated with age ≥70 years (odds ratio, 2.76; 95%CI, 1.29‐5.91; P < 0.01) and weight <40 kg (odds ratio, 2.97; 95%CI, 1.32‐6.71; P < 0.01). These findings suggest that pregabalin may be associated with a higher risk of hypoglycemia, especially in elderly individuals with low body weight. Health care providers may need to be aware of pregabalin‐induced hypoglycemia in patients with these risk factors during therapy.
Enhancing water flux and antifouling properties of PES hollow fiber membranes via incorporation of surface‐functionalized Fe3O4 nanoparticles
Authors: Nawi Nadiene Salleha Mohd , Lau Woei Jye , Yusof Norhaniza , Said Noresah , Ismail Ahmad F
Published: November 2021

BACKGROUND

In this study, polyethersulfone (PES) hollow fiber membranes incorporated with surface‐functionalized iron oxide (Fe3O4) nanoparticles were developed in order to improve water flux and antifouling properties of PES membrane. Commercial Fe3O4 nanoparticles was coated by polydopamine (PDA), followed by functionalization using (3‐aminopropyl)triethoxysilane (APTES) and sulfonic acid to produce Fe3O4/PDA‐Amine and Fe3O4/PDA‐Sulf nanoparticles, respectively. All the nanoparticles‐modified membranes were synthesized using dope solution composed of different nanoparticles, followed by a series of instrumental characterization and filtration assessments.

RESULTS

It is found that the membrane incorporated with Fe3O4/PDA‐Amine exhibited the best filtration performance, achieving water flux of 137.23 L m−2 h−1 bar−1 and bovine serum albumin (BSA) rejection of 92.16%. As a comparison, the pristine PES membrane only showed 82.60 L m−2 h−1 bar−1 and 71.92%, respectively. The membrane with Fe3O4/PDA‐Sulf also showed lower performance, recording 129.88 L m−2 h−1 bar−1 and 88.39%, respectively. The improved performance of the Fe3O4/PDA‐Amine‐modified PES membrane could be attributed to its lowest water contact angle (65.10°), highest porosity (68.14%), ideal pore size (65 nm) as well as good structural integrity. More importantly, the improved surface properties also led to outstanding fouling resistance, achieving flux recovery rate of 97%. This membrane also achieved excellent chemical oxygen demand (95.17%) and color (89.86%) reduction when tested using river water sample.

CONCLUSION

Our work demonstrated a simple approach to functionalize the surface of Fe3O4 nanoparticles and showed the effectiveness of the surface‐functionalized Fe3O4 nanoparticles in improving not only the surface properties of PES membrane but also its filtration performance in terms of permeability, rejection and antifouling property. © 2021 Society of Chemical Industry (SCI).