bluuebunny/crossref_metadata_2025 huggingface dataset:
The Theory of Sectoral Clashes and Coalitions Revisited
Authors: Mamalakis Markos J.
Published: October 2022

According to the theory of sectoral clashes and coalitions, the sectoral element plays a unique role in affecting, on the one hand, the interrelationships between the economic processes of income creation, distribution, and allocation and, on the other hand, the interrelationships between economic, social, political, and institutional processes that make for change and progress. The objective of this essay is to extend the previous formulation of the theory of sectoral clashes and coalitions along two lines: first, by presenting statistical information from all of Latin America which prima facie supports the theory's basic premises; second, by defining and expanding these premises and the basic framework in an effort to obtain a clearer vision of the theory and its links to economic, political, and social reality. Although most criticisms of the theory find a specific answer and most of the suggestions for improvement are followed, this article is more than a rebuttal. In response to the urgent need for its further development, cited by all commentators and those who have applied and tested the theory in Argentina, Bolivia, Chile, Cuba, Mexico, and Peru, this essay seeks to open new ground and explore new dimensions.
An improved Kalman particle swarm optimization for modeling and optimizing of boiler combustion characteristics
Authors: Liang Jing , Guo Hao , Chen Ke , Yu Kunjie , Yue Caitong , Li Xia
Published: October 2022

With the rapid development of the national economy, the demand for electricity is also growing. Thermal power generation accounts for the highest proportion of power generation, and coal is the most commonly used combustion material. The massive combustion of coal has led to serious environmental pollution. It is significant to improve energy conversion efficiency and reduce pollutant emissions effectively. In this paper, an extreme learning machine model based on improved Kalman particle swarm optimization (ELM-IKPSO) is proposed to establish the boiler combustion model. The proposed modeling method is applied to the combustion modeling process of a 300 MWe pulverized coal boiler. The simulation results show that compared with the same type of modeling method, ELM-IKPSO can better predict the boiler thermal efficiency and NOx emission concentration and also show better generalization performance. Finally, multi-objective optimization is carried out on the established model, and a set of mutually non-dominated boiler combustion solutions is obtained.
Colony stimulating factor 2 protects the preimplantation bovine embryo from heat shock
Authors: Sosa Froylan , Hansen Peter J.
Published: October 2022

Heat stress can have severe deleterious effects on embryo development and survival. The present study evaluated whether CSF2 can protect the developmental competence of the bovine embryo following exposure to a heat shock of 41°C at the zygote and morula stages. In the first experiment, putative zygotes and 2-cell embryos were assigned to receive either 10 ng/ml CSF2 or vehicle, and then cultured for 15 h at either 38.5°C or 41°C and then at 38.5°C until day 7.5. Heat shock reduced blastocyst development for embryos treated with vehicle but not for embryos cultured with CSF2. In the second experiment, day 5 embryos (morula) were treated with CSF2 or vehicle and then cultured for 15 h at either 38.5°C or 41°C and then at 38.5°C until day 7.5. Temperature treatment did not affect development to the blastocyst stage and there was no effect of CSF2 treatment or the interaction. Results indicate that CSF2 can reduce the deleterious effects of heat shock at the zygote or two-cell stage when the embryo is transcriptionally inactive.
Collaborating on Research with Undergraduate Students: A Comparative Institutional-Racial Analysis
Authors: Mangum Maruice
Published: October 2022

This article describes my experiences in collaborating with undergraduate students on research projects, including published works in peer-reviewed outlets. The article discusses the courses and assignments that engendered the collaborations and compares the institutions and students. By describing several significant similarities and differences, I compare and contrast white students in The Midwest at Predominantly White Institutions with African American students at Historically Black Colleges and Universities in The South.
The role of integrin beta in schizophrenia: a preliminary exploration
Authors: He Binshan , Wang Yuhan , Li Huang , Huang Yuanshuai
Published: October 2022

Integrins are transmembrane heterodimeric (αβ) receptors that transduce mechanical signals between the extracellular milieu and the cell in a bidirectional manner. Extensive research has shown that the integrin beta (β) family is widely expressed in the brain and that they control various aspects of brain development and function. Schizophrenia is a relatively common neurological disorder of unknown etiology and has been found to be closely related to neurodevelopment and neurochemicals in neuropathological studies of schizophrenia. Here, we review literature from recent years that shows that schizophrenia involves multiple signaling pathways related to neuronal migration, axon guidance, cell adhesion, and actin cytoskeleton dynamics, and that dysregulation of these processes affects the normal function of neurons and synapses. In fact, alterations in integrin β structure, expression and signaling for neural circuits, cortex, and synapses are likely to be associated with schizophrenia. We explored several aspects of the possible association between integrin β and schizophrenia in an attempt to demonstrate the role of integrin β in schizophrenia, which may help to provide new insights into the study of the pathogenesis and treatment of schizophrenia.
Food availability and affordability in a Mediterranean urban context: associations by store type and area-level socio-economic status
Authors: Fernández-Escobar Carlos , Díez Julia , Martínez-García Alba , Bilal Usama , O’Flaherty Martin , Franco Manuel
Published: October 2022

Objective:

Although food environments have been highlighted as potentially effective targets to improve population diets, evidence on Mediterranean food environments is lacking. We examined differences in food availability and affordability in Madrid (Spain) by store type and area-level socio-economic status (SES).

Design:

Cross-sectional study. Trained researchers conducted food store audits using the validated Nutrition Environment Measures Survey in Stores for Mediterranean contexts (NEMS-S-MED) tool to measure the availability and price of twelve food groups (specific foods = 35). We computed NEMS-S-MED scores and summarised price data with a Relative Price Index (RPI, comparing prices across stores) and an Affordability Index (normalising prices by area-level income). We compared the availability and affordability of ‘healthier–less healthy’ food pairs, scores between food store types (supermarkets, specialised, convenience stores and others) and area-level SES using ANOVA and multi-level regression models.

Setting:

City of Madrid. 2016 and 2019 to cover a representative sample.

Participants:

Food stores within a socio-economically diverse sample of sixty-three census tracts (n 151).

Results:

Supermarkets had higher food availability (37·5/49 NEMS-S-MED points), compared to convenience stores (13·5/49) and specialised stores (8/49). Supermarkets offered lower prices (RPI: 0·83) than specialised stores (RPI: 0·97) and convenience stores (RPI: 2·06). Both ‘healthy’ and ‘less healthy’ items were more available in supermarkets. We found no differences in food availability or price by area-level SES, but affordability was higher in higher-income areas.

Conclusions:

Supermarkets offered higher food availability and affordability for healthy and less healthy food items. Promoting healthy food availability through supermarkets and specialised stores and/or limiting access to convenience stores are promising policy options to achieve a healthier food environment.
Response to Bishop Keith Joseph’s ‘The Challenge of Gafcon to the Unity of the Anglican Communion’
Authors: Condie Richard
Published: October 2022

This is a response by Bishop Richard Condie, the Bishop of Tasmania and Chairman of Gafcon Australia, to the article by Bishop Keith Joseph (the Bishop of North Queensland, Australia) published in the Journal of Anglican Studies in May 2022. It engages with the nature and limits of unity in the Anglican Church before discussing the unique context of the Jerusalem Declaration and recent developments in the Anglican Church of Australia.
The authoritarian challenge: liberal thinking on autocracy and international relations, 1930–45
Authors: Draper Matthew , Haggard Stephan
Published: October 2022

The return of authoritarian great powers, the slowing of the democratic wave, and outright reversion to authoritarian rule pose important questions for international theory. What are the implications of an international system populated with more autocracies? This question was posed by a diverse array of social scientists, public intellectuals, and policy analysts in response to the autocratic wave in Europe in the 1920s and 1930s. We show that a series of conversations emanating from quite diverse intellectual priors – from Christian realists to international lawyers and disaffected Marxists – converged on the risks these autocratic regimes posed to democratic regimes and the international order they sought to forge. These risks included unconstrained rulers, an inability to sustain international commitments and political processes that undermined rational deliberation at home and spread disinformation abroad. The reading of this work suggests an under-appreciated strand of liberal international relations theory, and these debates have direct implications for liberal arguments about the democratic peace. Rather than theorizing why democracies avoid war, they underscore the importance of understanding why authoritarian and democratic countries are particularly prone to conflict.
Concurrence of novel mutations causing Gilbert’s and Dubin–Johnson syndrome with poor clinical outcomes in a Han Chinese family
Authors: Zhou Tai-Cheng , Li Xiao , Li Hui , Liu Feng-Wei , Zhang Si-Hang , Fan Jing-Hua , Yang Wen-Xiu , Yang Ya-Li , Zhang Liang , Wei Jia
Published: October 2022

Dual-hereditary jaundice (Dubin–Johnson syndrome (DJS) and Gilbert’s syndrome (GS)) is a rare clinical entity resulting from defects of the ATP binding cassette subfamily C member 2 (ABCC2) and UDP glucuronosyltransferase family 1 member A1 (UGT1A1) genes with autosomal recessive inheritance. In this study, we aimed to investigate the mutation profiles and characterize the phenotypes in a Han Chinese family with DJS and GS. Genetic screening for variants in the ABCC2 and UGT1A1, immunohistochemistry for expression of ABCC2, and histopathological examination were carried out. The proband and his brother had unconjugated and conjugated hyperbilirubinemia after birth. The proband’s sister had only conjugated hyperbilirubinemia after birth. The proband developed into pleural effusions and ascites, pericardial thickening, intrahepatic and extrahepatic biliary duct dilatation, and enlarged gallbladder at age 50. Hepatocellular carcinoma occurred in the proband’s brother at age 46. Seven compound defects of the ABCC2 gene [c.2414delG, p.(Ile1489Gly), p.(Thr1490Pro), and p.(Ile1491Gln)] and the UGT1A1 gene (c.-3279T>G, p.(Gly71Arg), and p.(Pro451Leu)) were identified in family members. Accumulation of pigment in hepatocytes characteristic of that in DJS was present in the proband and his brother. Expression of ABCC2 protein was markedly diminished in the patient’s liver. Our results show a different genetic profile of DJS and GS in a Han Chinese family, indicating a more complex pattern of dual-hereditary jaundice among different populations. The present study illuminates the underpinnings of DJS and GS and extends the mutation profiles and phenotypes of these two syndromes in dual-hereditary jaundice.
Computational pharmacogenomic screen identifies drugs that potentiate the anti-breast cancer activity of statins
Authors: van Leeuwen Jenna E. , Ba-Alawi Wail , Branchard Emily , Cruickshank Jennifer , Schormann Wiebke , Longo Joseph , Silvester Jennifer , Gross Peter L. , Andrews David W. , Cescon David W. , Haibe-Kains Benjamin , Penn Linda Z. , Gendoo Deena M. A.
Published: October 2022

Statins, a family of FDA-approved cholesterol-lowering drugs that inhibit the rate-limiting enzyme of the mevalonate metabolic pathway, have demonstrated anticancer activity. Evidence shows that dipyridamole potentiates statin-induced cancer cell death by blocking a restorative feedback loop triggered by statin treatment. Leveraging this knowledge, we develop an integrative pharmacogenomics pipeline to identify compounds similar to dipyridamole at the level of drug structure, cell sensitivity and molecular perturbation. To overcome the complex polypharmacology of dipyridamole, we focus our pharmacogenomics pipeline on mevalonate pathway genes, which we name mevalonate drug-network fusion (MVA-DNF). We validate top-ranked compounds, nelfinavir and honokiol, and identify that low expression of the canonical epithelial cell marker, E-cadherin, is associated with statin-compound synergy. Analysis of remaining prioritized hits led to the validation of additional compounds, clotrimazole and vemurafenib. Thus, our computational pharmacogenomic approach identifies actionable compounds with pathway-specific activities.
Ribosome-mediated biosynthesis of pyridazinone oligomers in vitro
Authors: Lee Joongoo , Coronado Jaime N. , Cho Namjin , Lim Jongdoo , Hosford Brandon M. , Seo Sangwon , Kim Do Soon , Kofman Camila , Moore Jeffrey S. , Ellington Andrew D. , Anslyn Eric V. , Jewett Michael C.
Published: October 2022

The ribosome is a macromolecular machine that catalyzes the sequence-defined polymerization of L-α-amino acids into polypeptides. The catalysis of peptide bond formation between amino acid substrates is based on entropy trapping, wherein the adjacency of transfer RNA (tRNA)-coupled acyl bonds in the P-site and the α-amino groups in the A-site aligns the substrates for coupling. The plasticity of this catalytic mechanism has been observed in both remnants of the evolution of the genetic code and modern efforts to reprogram the genetic code (e.g., ribosomal incorporation of non-canonical amino acids, ribosomal ester formation). However, the limits of ribosome-mediated polymerization are underexplored. Here, rather than peptide bonds, we demonstrate ribosome-mediated polymerization of pyridazinone bonds via a cyclocondensation reaction between activated γ-keto and α-hydrazino ester monomers. In addition, we demonstrate the ribosome-catalyzed synthesis of peptide-hybrid oligomers composed of multiple sequence-defined alternating pyridazinone linkages. Our results highlight the plasticity of the ribosome’s ancient bond-formation mechanism, expand the range of non-canonical polymeric backbones that can be synthesized by the ribosome, and open the door to new applications in synthetic biology.
Hepatic glutamine synthetase controls N5-methylglutamine in homeostasis and cancer
Authors: Villar Victor H. , Allega Maria Francesca , Deshmukh Ruhi , Ackermann Tobias , Nakasone Mark A. , Vande Voorde Johan , Drake Thomas M. , Oetjen Janina , Bloom Algernon , Nixon Colin , Müller Miryam , May Stephanie , Tan Ee Hong , Vereecke Lars , Jans Maude , Blancke Gillian , Murphy Daniel J. , Huang Danny T. , Lewis David Y. , Bird Thomas G. , Sansom Owen J. , Blyth Karen , Sumpton David , Tardito Saverio
Published: October 2022

Glutamine synthetase (GS) activity is conserved from prokaryotes to humans, where the ATP-dependent production of glutamine from glutamate and ammonia is essential for neurotransmission and ammonia detoxification. Here, we show that mammalian GS uses glutamate and methylamine to produce a methylated glutamine analog,N5-methylglutamine. Untargeted metabolomics revealed that liver-specific GS deletion and its pharmacological inhibition in mice suppress hepatic and circulating levels ofN5-methylglutamine. This alternative activity of GS was confirmed in human recombinant enzyme and cells, where a pathogenic mutation in the active site (R324C) promoted the synthesis ofN5-methylglutamine over glutamine.N5-methylglutamine is detected in the circulation, and its levels are sustained by the microbiome, as demonstrated by using germ-free mice. Finally, we show that urine levels ofN5-methylglutamine correlate with tumor burden and GS expression in a β-catenin-driven model of liver cancer, highlighting the translational potential of this uncharacterized metabolite.
Caveolin-1 is a primary determinant of endothelial stiffening associated with dyslipidemia, disturbed flow, and ageing
Authors: Le Master Elizabeth , Paul Amit , Lazarko Dana , Aguilar Victor , Ahn Sang Joon , Lee James C. , Minshall Richard D. , Levitan Irena
Published: October 2022

Endothelial stiffness is emerging as a major determinant in endothelial function. Here, we analyzed the role of caveolin-1 (Cav-1) in determining the stiffness of endothelial cells (EC) exposed to oxidized low density lipoprotein (oxLDL) under static and hemodynamic conditions in vitro and of aortic endothelium in vivo in mouse models of dyslipidemia and ageing. Elastic moduli of cultured ECs and of the endothelial monolayer of freshly isolated mouse aortas were measured using atomic force microscopy (AFM). We found that a loss of Cav-1 abrogates the uptake of oxLDL and oxLDL-induced endothelial stiffening, as well as endothelial stiffening induced by disturbed flow (DF), which was also oxLDL dependent. Mechanistically, Cav-1 is required for the expression of CD36 (cluster of differentiation 36) scavenger receptor. Genetic deletion of Cav-1 abrogated endothelial stiffening observed in the DF region of the aortic arch, and induced by a high fat diet (4–6 weeks) and significantly blunted endothelial stiffening that develops with advanced age. This effect was independent of stiffening of the sub-endothelium layer. Additionally, Cav-1 expression significantly increased with age. No differences in elastic modulus were observed between the sexes in advanced aged wild type and Cav-1 knockout mice. Taken together, this study demonstrates that Cav-1 plays a critical role in endothelial stiffening induced by oxLDL in vitro and by dyslipidemia, disturbed flow and ageing in vivo.
Protection status, human disturbance, snow cover and trapping drive density of a declining wolverine population in the Canadian Rocky Mountains
Authors: Barrueto Mirjam , Forshner Anne , Whittington Jesse , Clevenger Anthony P. , Musiani Marco
Published: October 2022

Protected areas are important in species conservation, but high rates of human-caused mortality outside their borders and increasing popularity for recreation can negatively affect wildlife populations. We quantified wolverine (Gulo gulo) population trends from 2011 to 2020 in > 14,000 km2 protected and non-protected habitat in southwestern Canada. We conducted wolverine and multi-species surveys using non-invasive DNA and remote camera-based methods. We developed Bayesian integrated models combining spatial capture-recapture data of marked and unmarked individuals with occupancy data. Wolverine density and occupancy declined by 39%, with an annual population growth rate of 0.925. Density within protected areas was 3 times higher than outside and declined between 2011 (3.6 wolverines/1000 km2) and 2020 (2.1 wolverines/1000 km2). Wolverine density and detection probability increased with snow cover and decreased near development. Detection probability also decreased with human recreational activity. The annual harvest rate of ≥ 13% was above the maximum sustainable rate. We conclude that humans negatively affected the population through direct mortality, sub-lethal effects and habitat impacts. Our study exemplifies the need to monitor population trends for species at risk—within and between protected areas—as steep declines can occur unnoticed if key conservation concerns are not identified and addressed.
Improved 3D-ResNet sign language recognition algorithm with enhanced hand features
Authors: Wang Shiqi , Wang Kankan , Yang Tingping , Li Yiming , Fan Di
Published: October 2022

In sign language video, the hand region is small, the resolution is low, the motion speed is fast, and there are cross occlusion and blur phenomena, which have a great impact on sign language recognition rate and speed, and are important factors restricting sign language recognition performance. To solve these problems, this paper proposes an improved 3D-ResNet sign language recognition algorithm with enhanced hand features, aiming to highlight the features of both hands, solve the problem of missing more effective information when relying only on global features, and improve the accuracy of sign language recognition. The proposed method has two improvements. Firstly, the algorithm detects the left and right hand regions based on the improved EfficientDet network, uses the improved Bi-FPN module and dual channel and spatial attention module are used to enhance the detection ability of the network for small targets like hand. Secondly, the improved residual module is used to improve the 3D-ResNet18 network to extract sign language features. The global, the left-hand and the right-hand image sequences are divided into three branches for feature extraction and fusion, so as to strengthen the attention to hand features, strengthen the representation ability of sign language features, and achieve the purpose of improving the accuracy of sign language recognition. In order to verify the performance of this algorithm, a series of experiments are carried out on CSL dataset. For example, in the experiments of hand detection algorithm and sign language recognition algorithm, the performance indicators such as Top-N, mAP, FLOPs and Parm are applied to find the optimal algorithm framework. The experimental results show that the Top1 recognition accuracy of this algorithm reaches 91.12%, which is more than 10% higher than that of C3D, P3D and 3D-ResNet basic networks. From the performance indicators of Top-N, mAP, FLOPs, Parm and so on, the performance of the algorithm in this paper is better than several algorithms in recent three years, such as I3D+BLSTM, B3D ResNet, AM-ResC3D+RCNN and so on. The results show that the hand detection network with enhanced hand features and three-dimensional convolutional neural network proposed in this paper can achieve higher accuracy of sign language recognition.
Nestin is a marker of unipotent embryonic and adult progenitors differentiating into an epithelial cell lineage of the hair follicles
Authors: Baba Yuta , Onishi-Sakamoto Saki , Ide Kaori , Nishifuji Koji
Published: October 2022

Nestin is an intermediate filament protein transiently expressed in neural stem/progenitor cells. We previously demonstrated that outer root sheath (ORS) keratinocytes of adult hair follicles (HFs) in mice descend from nestin-expressing cells, despite being an epithelial cell lineage. This study determined the exact stage when nestin-expressing ORS stem/precursor cells or their descendants appear during HF morphogenesis, and whether they are present in adult HFs. Using Nes-Cre/CAG-CAT-EGFP mice, in which enhanced green fluorescent protein (EGFP) is expressed following Cre-based recombination driven by the nestin promoter, we found that EGFP+ cells appeared in the epithelial layer of embryonic HFs as early as the peg stage. EGFP+ cells in hair pegs were positive for keratin 14 (K14) and K5, but not vimentin, SOX2, SOX10, or S100 alpha 6. Tracing of tamoxifen-induced EGFP+ cells in postnatal Nes-CreERT2/CAG-CAT-EGFP mice revealed labeling of some isthmus HF epithelial cells in the first anagen stage. EGFP+ cells in adult HFs were not immunolabeled for K15, an HF multipotent stem cell marker. However, when hairs were depilated in Nes-CreERT2/CAG-CAT-EGFP mice to induce the anagen stage after tamoxifen injection, the majority of ORS keratinocytes in depilation-induced anagen HFs were labeled for EGFP. Our findings indicate that nestin-expressing unipotent progenitor cells capable of differentiating into ORS keratinocytes are present in HF primordia and adult HFs.
A coupled phase-field and reactive-transport framework for fracture propagation in poroelastic media
Authors: Clavijo Santiago Pena , Addassi Mouadh , Finkbeiner Thomas , Hoteit Hussein
Published: October 2022

We present a novel approach to model hydro-chemo-mechanical responses in rock formations subject to fracture propagation within chemically active rock formations. The framework developed integrates the mechanisms of reactive transport, fluid flow and transport in porous media, and phase-field modelling of fracture propagation in poroelastic media. The solution approach integrates the geochemical package PHREEQC with a finite-element open-source platform, FEniCs. The PHREEQC solver is used to calculate the localized chemical reaction, including solid dissolution/precipitation. The resulting solid weakening by chemical damage is estimated from the reaction-induced porosity change. The proposed coupled model was verified with previous numerical results and applied to a synthetic case exhibiting hydraulic fracturing enhanced with chemical damage. Simulation results suggest that mechanical failure could be accelerated in the presence of ongoing chemical processes due to rock weakening and porosity changes, allowing the nucleation, growth, and development of fractures.
Recent development in hydrophilic interaction liquid chromatography stationary materials for glycopeptide analysis
Authors: Liu Zhaoliang , Xu Mingming , Zhang Wenqi , Miao Xinyu , Wang Perry G. , Li Shuwei , Yang Shuang
Published: October 2022

HILIC is used for the enrichment of hydrophilic glycopeptides from hydrophobic analytes. HILIC can be used for solid-phase extraction (SPE), pipette-based ziptips, magnetic beads, and centrifugation-based resins.
Mechano-chromic and mechano-enhanced electrogenerated chemiluminescence of tetra[4-(4-cyanophenyl)phenyl]ethene
Authors: Wang Xiaofei , Qian Manping , Jiang Jiaxing , Gao Qiang , Zhang Chengxiao , Qi Honglan
Published: October 2022

Mechano-chromic and mechano-enhanced ECL of tetra[4-(4-cyanophenyl)phenyl]ethene (TCPPE) is observed. TCPPE can be used as a promising mechano-chromic and mechano-enhanced luminescent material in rewritable and optical-recording.
Oxidative two-way regiocontrolled coupling of 3-methoxycarbonylcatechol and indoles to arylindoles
Authors: Sawama Yoshinari , Kuwata Shoko , Mae Miyu , Udagawa Taro , Akai Shuji , Sajiki Hironao
Published: October 2022

3-Methoxycarbonylcatechol underwent two-way regiocontrolled coupling of indoles and ortho-benzoquinone intermediate, resulting from PIDA oxidation, with or without BF3·Et2O. DFT calculations confirmed the obtained regioselectivities.
Amine organocatalysts for highly ortho-selective chlorination of anilines with sulfuryl chloride
Authors: Wang Xinzhe , Chen Zhihuang , Liu Qingqing , Lin Wenqing , Xiong Xiaodong
Published: October 2022

A metal catalyst free approach for regioselective ortho-chlorination of anilines has been developed using a secondary amine as the organocatalyst and sulfuryl chloride as the halogen source under mild conditions.
A structural and electrochemical study of lithium-ion battery electrolytes using an ethylene sulfite solvent: from dilute to concentrated solutions
Authors: Suzuki Kenzo , Sawayama Saki , Deguchi Yuna , Sai Ryansu , Han Jihae , Fujii Kenta
Published: October 2022

Coordination structures of Li-ion complexes in ethylene sulfite (ES)-based electrolytes exhibiting the fast charge–discharge behavior.
Effect of the flexible chain length of a dimetal subunit on the formation of 1D coordination polymers to molecular rectangles
Authors: Gogia Alisha , Khullar Sadhika , Chanda Alokananda , Mandal Sanjay K.
Published: October 2022

Utilizing the angular and rigid furan dicarboxylate (fdc2−) ion, the diversity in metal organic coordination networks – 1D coordination polymers to molecular rectangles – is demonstrated based on the flexible chain length of the dicopper subunit.
Synthesis of disubstituted furans catalysed by [(AuCl)2(μ-bis(phosphino)metallocene)] and Na[BArF24]
Authors: Gwinn Reilly K. , Boggess Anna E. , Winter Elizabeth P. , Nataro Chip
Published: October 2022

Two new gold compounds with bis(phosphino)metallocene ligands were prepared and characterized by NMR and X-ray crystallography. These and related compounds are catalysts in formation of disubstituted furans from terminal alkynes and pyridine-N-oxide.
Genistein improves glucose metabolism and promotes adipose tissue browning through modulating gut microbiota in mice
Authors: Li Shunhua , Zhou Liyuan , Zhang Qian , Yu Miao , Xiao Xinhua
Published: October 2022

Genistein improves glucose metabolism and promotes adipose tissue browning through modulating gut microbiota in mice.
Aminoglycoside-induced lipotoxicity and its reversal in kidney on chip
Authors: Ioannidis Konstantinos , Cohen Aaron , Ghosheh Mohammad , Ehrlich Avner , Fischer Amit , Cohen Merav , Nahmias Yaakov
Published: October 2022

Vascularized model of human kidney on chip utilizes tissue-embedded sensors to reveal the metabolic signature of aminoglycosides toxicity. Data shows gentamicin-induced injury is driven lipotoxicity, which can be blocked by empagliflozin.
ICHOR: a modern pipeline for producing Gaussian process regression models for atomistic simulations
Authors: Burn Matthew J. , Popelier Paul L. A.
Published: October 2022

There is now a highly automated electronic tool (called ICHOR) that facilitates the construction and validation of actively learnt machine learning models (Gaussian process regression) for molecules and molecular clusters.
Mixed-halide copper-based perovskite R2Cu(Cl/Br)4 with different organic cations for reversible thermochromism
Authors: Elattar Amr , Tsutsumi Kosei , Suzuki Hiroo , Nishikawa Takeshi , Kyaw Aung Ko Ko , Hayashi Yasuhiko
Published: October 2022

Mechanically exfoliated flakes of mixed-halide Cu-based perovskite crystals, R2Cu(Cl/Br)4, with three alkyl chains exhibit reversible thermochromic behavior with differences in crystal lattice behavior depending on the organic spacer used.
Seeking regularity from irregularity: unveiling the synthesis–nanomorphology relationships of heterogeneous nanomaterials using unsupervised machine learning
Authors: Yao Lehan , An Hyosung , Zhou Shan , Kim Ahyoung , Luijten Erik , Chen Qian
Published: October 2022

Shape fingerprint functions and unsupervised machine learning are used to classify and analyze nanomaterial morphologies from 2D and 3D TEM data.
The unrevealed 3D morphological evolution of annealed nanoporous thin films
Authors: Ma Jianqiang , Wang Sien , Wan Xiao , Ma Dengke , Xiao Yue , Hao Qing , Yang Nuo
Published: October 2022

The 3D morphological evolution of a nanoporous membrane with periodic nanopores by thermal annealing is studied. The newly proposed model is confirmed by both high-temperature annealing experiments and molecular dynamics simulations.
Plasmon-enhanced photothermal properties of Au@Ti3C2Tx nanosheets for antibacterial applications
Authors: Wen Shiqi , Xiong Youlin , Cai Shuangfei , Li Haolin , Zhang Xining , Sun Qian , Yang Rong
Published: October 2022

A novel photothermal antibacterial strategy based on physical contact damage and photothermal ablation over a supported heterostructure, by loading Au nanoparticles on few-layer T3C2Tx nanosheets, was developed with high efficacy.
A formal [4 + 2] annulation of diamines and prop-2-ynyl sulfonium salts for the synthesis of tetrahydroquinoxalines
Authors: Xia Fei , Lu Yu-Qian , Sun Peng , Guo Qiu-Yan , Shi Qiao-Li , Zhang Jun-Zhe , Qiu Chong
Published: October 2022

A formal [4 + 2] annulation of diamines and prop-2-ynyl sulfonium salts was developed.
An atomistic view of rigid crystalline supramolecular polymers derived from short amphiphilic, α,β hybrid peptide
Authors: Misra Rajkumar , Netti Francesca , Koren Gil , Dan Yoav , Chakraborty Priyadarshi , Cohen Sidney R. , Shimon Linda J. W. , Beck Roy , Adler-Abramovich Lihi
Published: October 2022

The spontaneous self-association of an amphiphilic α, β-hybrid peptide into supramolecular fibers and atomic details of the fibrillar assembly are reported.
A novel red-emitting phosphor with an unusual concentration quenching effect for near-UV-based WLEDs
Authors: Yang Nan , Zhang Ziwang , Zou Liyuan , Chen Jun , Ni Haiyong , Chen Pin , Shi Jianxin , Tong Yexiang
Published: October 2022

An unusual concentration quenching effect is caused by the anisotropic distribution of quenching centers in GdGaTi2O7:Eu3+.
Recent developments in enantioselective nickel(ii)-catalyzed conjugate additions
Authors: Pellissier Hélène
Published: October 2022

This review updates the field of enantioselective nickel-catalyzed conjugate additions since 2016.
Recovery of bacterioruberin and proteins using aqueous solutions of surface-active compounds
Authors: Vaz Bárbara M. C. , Kholany Mariam , Pinto Diana C. G. A. , Macário Inês P. E. , Veloso Telma , Caetano Tânia , Pereira Joana L. , Coutinho João A. P. , Ventura Sónia P. M.
Published: October 2022

Bacterioruberin and proteins were recovered from a marine bacterium by using aqueous solutions of surface-active compounds.
Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H2S gas
Authors: Louis Hitler , Etiese Daniel , Unimuke Tomsmith O. , Owen Aniekan E. , Rajee Abdulahi O. , Gber Terkumbur E. , Chima Chioma M. , Eno Ededet A. , Nfor Emmanuel N.
Published: October 2022

We demonstrate the efficacy of nicotinic acid hydrazide as adsorbent/sensor materials for H2S gas.
A UiO-66 3D photonic crystal optical sensor for highly efficient chlorobenzene vapor detection
Authors: Wang Yaru , Wang Zhaolong , Gao Yangfan , Yuan Yi , Liu Jianfei , Yan Jun , Chen Yunlin
Published: October 2022

Chlorobenzene (C6H5Cl) is a flammable liquid with high vapor activity, which is a severe threat to the environment and human health.
Characteristics of Ag-incorporated bioactive glasses prepared by a modified sol–gel method with a shortened synthesis time and without the use of catalysts
Authors: Hoa Bui Thi , Phuc Le Hong , Hien Nguyen Quan , Vinh Le Khanh , Tien Nguyen Anh , Hiep Dang Tan , Vi Vo Thuy , Ly Dang Ngoc , Long Nguyen Viet , Hieu Tran Trung , Linh Le Viet , Minh Nguyen Tuyet , Xuan Vuong Bui
Published: October 2022

This work presents the preparation of bioactive glasses 70SiO2–(26 − x)CaO–4P2O5–xAg2O (with x = 0, 1, 3, 10 mol%) by a modified sol–gel method with reduced synthesis time based on hydrothermal reaction in a medium without acid or base catalysts.
Evolution of methane permeability and fracture structure of coal: implications for methane extraction in deep coal seams
Authors: Ju Wenqiang , Dong Jun , Chang Chenxu
Published: October 2022

Permeability of tectonic coal is easier to recover after loading and unloading, indicating that its fracture structure is more stable than that of the intact coal under high stress conditions.
Anisotropic dependence of radiation from excitons in Ga2O3/MoS2heterostructure
Authors: Deng Zexiang
Published: October 2022

The anisotropic dependence of radiation arising from exciton recombination in the Ga2O3/MoS2heterostructure is investigated, using density functional theory and the Bethe–Salpeter equation.
Electrocatalytic NAD+ reduction via hydrogen atom-coupled electron transfer
Authors: Liu Fengyuan , Ding Chunmei , Tian Shujie , Lu Sheng-Mei , Feng Chengcheng , Tu Dandan , Liu Yan , Wang Wangyin , Li Can
Published: October 2022

A hydrogen atom coupled with electron transfer (HadCET) mechanism is proposed for electrocatalytic NAD+ reduction on metal electrodes (Cu, Fe and Co), in contrast to the NAD˙ radical pathway on carbon electrodes.
Solvent-controlled ion-coupled charge transport in microporous metal chalcogenides
Authors: McKenzie Jacob , Kempler Paul A. , Brozek Carl K.
Published: October 2022

Interactions between ions and itinerant charges govern electronic processes ranging from the redox chemistry of molecules to the conductivity of organic semiconductors, but remain an open frontier in the study of microporous materials.
Comprehensive utilization of lignocellulosic biomass for the electrode and electrolyte in zinc-ion hybrid supercapacitors
Authors: Yang Lvye , Yang Luan , Dai Dingliang , Yao Jianfeng
Published: October 2022

The lignocellulosic biomass is treated with zinc chloride to simultaneously prepare electrode and electrolyte materials, realizing a high-performance zinc-ion hybrid supercapacitor.
Interpenetrating dye-functionalized indium–organic frameworks for photooxidative cyanation and oxidative cyclization
Authors: Hou Leixin , Jing Xu , Huang Huilin , Duan Chunying
Published: October 2022

By virtue of light harvesting ability, the O2˙−generation rate and framework stability of indium–organic frameworks can be precisely regulated by the interpenetrated frameworks making them versatile photocatalysts for photooxidative transformation.
Controllable inverse C2H2/CO2 separation in ultra-stable Zn-organic frameworks for efficient removal of trace CO2 from acetylene
Authors: Yu Jia , Zhang Jing , Zhang Peng , Wang Ying , Li Shu-Ni , Zhai Quan-Guo
Published: October 2022

Ultra-stable Zn-organic frameworks with controllable inverse adsorption separation of C2H2/CO2 demonstrate extraordinary CO2-preferred selectivity and a remarkable productivity of C2H2 with an extra-high purity of more than 99.9% from the CO2/C2H2 (1/99) mixture.
Machine learning-driven advanced development of carbon-based luminescent nanomaterials
Authors: Muyassiroh Diva Addini Maghribi , Permatasari Fitri Aulia , Iskandar Ferry
Published: October 2022

Machine learning has exhibited excellent performance in progressively accelerating the development of Carbon-based luminescent nanomaterials (CLNMs) in broad applications.
K2S4O6: improving birefringence and nonlinear optical properties with the [O3S–S–S–SO3]2− group
Authors: Huang Tingting , Xiao Yan , Gu Jiashuo , Wang Ying , Wu Kui , Zhang Bingbing
Published: October 2022

Compared with sulfate SO42− group, tetrathionate [O3S–S–S–SO3]2− group could improve birefringence and second-harmonic generation effects as K2S4O6 demonstrates.
Photonic Maxwell’s Demon: Feed-forward methods for photonic thermodynamic tasks
Authors: Jacquet Maxime , Zanin Guilherme , Antesberger Michael , Souto Ribeiro Paulo , Rozema Lee , Walther Philip
Published: October 2022

Maxwell’s Demon is at the heart of the interrelation between quantum information processing and thermodynamics. In this thought experiment, a demon extracts work from two thermal baths at equilibrium by gaining information about them at the single-particle level and applying classical feed-forward operations. In this talk I will show how to implement a photonic version of Maxwell’s Demon with active feed-forward in a fiber-based system using ultrafast optical switches. This is the first realisation of an active Demon. The experiment [1] shows that, if correlations exist between the two thermal baths, the Demon can extract over an order of magnitude more work than without correlations. This demonstrates the great potential of photonic experiments – which provide a unique degree of control on the system – to access new regimes in quantum thermodynamics.
Numerical modelling of a non-Newtonian fluid in the twin-screw pump
Authors: Bojko Marian , Drábková Sylva , Veselý Josef , Zapletal Rostislav
Published: October 2022

Twin screw pump is a positive displacement pump, which is widely used in numerous type of foodstuff applications. Numerical CFD analysis presented in this paper focuses on the investigation of the influence of the clearances and the non-Newtonian behaviour of the fluid. The pump operates at low rotational speed and low inlet pressure. As the first step 3D CFD simulation of twin-screw pump non-rotating segment has been carried out using static mesh without rotation. Various empirical equations have been applied to represent the viscosity relations for non-Newtonian fluid in simple shear. The results are compared for two different values of clearances and various approaches to non-Newtonian fluid description. The obtained results showed the effect of both tested parameters. The physical experiment is under preparation to validate the calculation results.
Experimental circuit for the generation of cavitation in oil flow
Authors: Jablonská Jana , Kozubková Milada , Marcalík Patrik
Published: October 2022

The paper deals with the flow of oil through an experimental hydraulic circuit with a convergent divergent nozzle with a circular cross-section. Under different physical conditions, i.e. changes in pressure, flow and temperature, the formation and development of cavitation is monitored. As it is a highly dynamic flow in a transparent nozzle, cavitation is monitored using a high-speed camera and the frequency of formation and dissolution of the cavitation bubble and the movement of the cavitation cloud is then determined. The authors deal with the issue of the amount of dissolved or undissolved air in the hydraulic oil. Both variants of air influence the formation, development and size of the cavitation area. This cavitation is in this case called air cavitation. In technical practice, the issue of air cavitation is relevant, especially in the pump suction, where vacuum, leaks and hence air intake may occur.
Simulation of the mixture flow over terrain wave
Authors: Kyncl Martin , Česenek Jan , Pelant Jaroslav
Published: October 2022

We work with the system of equations describing the non-stationary compressible turbulent multicomponent flow in the gravitational field. We assume the mixture of perfect inert gases. The flow over rough terrain is simulated with the use of the finite volume method. The modified Riemann problem is solved at the boundary faces. The roughness of the surface is simulated using the alteration of the specific dissipation at the wall, and with the use of the wall functions. Velocity profile is compared with the experimental results. Own-developed computational code is used.
Numerical modelling and experimental investigation of the influence of selected geometric elements on the working characteristics of radial compressor stages with prismatic blades
Authors: Matas Richard , Syka Tomáš , Hurda Lukáš , Linhartová Zuzana
Published: October 2022

The article deals with a description of basic results of research of radial compressor stages with 2D e.g. prismatic rotor blades. The experimental facility and the measurement and evaluation process are described briefly in the first part. The second part of this contribution is the numerical simulation and evaluation of the influence of the technological holes in the 2D rotor blades to compressor stage characteristics. The influence of the labyrinth seals clearance on the working characteristics can be found in the last part. The comparison of measured and computed values is presented and discussed.
Simulation of temperature influence on shear stress during mineral oil flow
Authors: Polášek Tomáš , Ledvoň Marian , Bureček Adam , Hružík Lumír
Published: October 2022

The article is focused on the mathematical simulation of temperature influence on the shear stress during the mineral oil flow. The rotary rheometer is used to measure the shear stress. It works on the principle of torque measurement when the spindle rotates in the container with the measured liquid. The rotating spindle together with the container forms the hollow cylinder which is filled by measured oil. The shear stress is evaluated for the various oil temperatures. The software ANSYS Fluent is used to evaluate the partial numerical simulations. The experimental evaluation of the oil physical properties depending on the temperature is described in the article.
A software tool for blade design
Authors: Šimák Jan
Published: October 2022

An interactive software tool for blade design of axial flow machines was created. It is written as an extension module to the open-source software FreeCAD. In its graphical interface, the user can modify the blade profiles, stack them to create the whole blade and generate end walls and other stage features. Or everything can be controlled by a simple Python script. Results can be saved as STEP file or STL mesh and export to a mesh generator and CFD solver. Blade profiles are given by a set of parameters describing Bézier curves, the blade is represented by b-spline surfaces. Up to now, the tool helps the designer to find the right shapes by a 1D method, which evaluates the velocity triangles and the state variables through the machine stage on a mean line (mean radius) from the given design parameters (mass flow, total states in front of the stage, rotational speed etc.) and distribute them along the radius from the hub to the tip. The CFD results of a sample designed stage are included.
New ventilation schemes of car cabin evaluated by CFD simulations
Authors: Sip Jan , Pokorny Jan , Fiser Jan , Lizal Frantisek , Jicha Miroslav
Published: October 2022

Computational fluid dynamics (CFD) was used to investigate new ways of air conditioning of a car cabin during summer conditions. Three different schemes of ventilation were considered: classical mixing ventilation (dashboard vents), large-area ceiling vents, and underfloor vents delivering air under the seats. The Star-CCM+ was used to carry out unsteady RANS simulations and resulting temperature and velocity fields were compared. Furthermore, the draft risk and age of air were evaluated for each scheme. For air conditioning of the cabin, mixing ventilation had the best results.
Experimental Investigation of Unsteady Static Pressure Field Behind a Circular Cylinder
Authors: Suchý Jakub , Nožička Jiří , Papež Václav
Published: October 2022

In this paper a measurement of a static pressure in the wake behind a circular cylinder for the different Reynolds numbers is presented. For this purpose, a static pressure probe with built-in pressure transducer was used. The main goal is to describe the unsteady pressure field behind the cylinder and determine a frequency of the generated Von Kármán vortex street. The measurement was conducted in a low speed wind tunnel for a cylinder with 110 mm in diameter. The results were compared to an unsteady RANS simulation.
Comparison of fibre-based phase Doppler analysers
Authors: Zaremba Matous , Maly Milan , Mraz Vojtech , Jedelsky Jan
Published: October 2022

Laser diagnostics techniques are widely used in experimental fluid mechanics. By far the most widely used systems for getting spatial velocity fields and turbulence data are laser Doppler anemometers (LDA). Further, in the cases of two-phase flows phase Doppler analysers (PDA) are typically chosen to measure the size and velocity of the droplets or bubbles. The PDA system is non-intrusive laser technique with high spatial and temporal resolution. Moreover, the PDA system does not require additional calibration as, for example, hot-wire anemometers. However, with a growing number of PDA users, there is a need for verification of the results among the workplaces and systems themselves. The current paper deals with the comparison of two fibre-based PDA systems. The main scope of the investigation is an evaluation of the system's age and the influence of lasers type. One of the systems is older, operated with Argon-Ion laser and the second one is brand new equipped with Diode-pumped solid-state lasers. Both have the same optics and were manufactured by the same company. Various properties of the PDA system are tested to show particular influence on the quality of results when measuring in a spray generated by a small air-blast atomizer.