bluuebunny/crossref_metadata_2025 huggingface dataset:
CD4 expression in effector T cells depends on DNA demethylation over a developmentally established stimulus-responsive element
Authors: Teghanemt Athmane , Pulipati Priyanjali , Misel-Wuchter Kara , Day Kenneth , Yorek Matthew S. , Yi Ren , Keen Henry L. , Au Christy , Maretzky Thorsten , Gurung Prajwal , Littman Dan R. , Issuree Priya D.
Published: March 2022

The epigenetic patterns that are established during early thymic development might determine mature T cell physiology and function, but the molecular basis and topography of the genetic elements involved are not fully known. Here we show, using the Cd4 locus as a paradigm for early developmental programming, that DNA demethylation during thymic development licenses a novel stimulus-responsive element that is critical for the maintenance of Cd4 gene expression in effector T cells. We document the importance of maintaining high CD4 expression during parasitic infection and show that by driving transcription, this stimulus-responsive element allows for the maintenance of histone H3K4me3 levels during T cell replication, which is critical for preventing de novo DNA methylation at the Cd4 promoter. A failure to undergo epigenetic programming during development leads to gene silencing during effector T cell replication. Our study thus provides evidence of early developmental events shaping the functional fitness of mature effector T cells.
Carbonate complexation enhances hydrothermal transport of rare earth elements in alkaline fluids
Authors: Louvel Marion , Etschmann Barbara , Guan Qiushi , Testemale Denis , Brugger Joël
Published: March 2022

Rare earth elements (REE), essential metals for the transition to a zero-emission economy, are mostly extracted from REE-fluorcarbonate minerals in deposits associated with carbonatitic and/or peralkaline magmatism. While the role of high-temperature fluids (100 < T < 500 °C) in the development of economic concentrations of REE is well-established, the mechanisms of element transport, ore precipitation, and light (L)REE/heavy (H)REE fractionation remain a matter of debate. Here, we provide direct evidence from in-situ X-ray Absorption Spectroscopy (XAS) that the formation of hydroxyl-carbonate complexes in alkaline fluids enhances hydrothermal mobilization of LREE at T ≥ 400 °C and HREE at T ≤ 200 °C, even in the presence of fluorine. These results not only reveal that the modes of REE transport in alkaline fluids differ fundamentally from those in acidic fluids, but further underline that alkaline fluids may be key to the mineralization of hydrothermal REE-fluorcarbonates by promoting the simultaneous transport of (L)REE, fluoride and carbonate, especially in carbonatitic systems.
Hypervalency in amorphous chalcogenides
Authors: Lee T. H. , Elliott S. R.
Published: March 2022

The concept of hypervalency emerged as a notion for chemical bonding in molecules to explain the atomic coordination in hypervalent molecules that violates the electron-octet rule. Despite its significance, however, hypervalency in condensed phases, such as amorphous solids, remains largely unexplored. Using ab initio molecular-dynamics simulations, we report here the underlying principles of hypervalency in amorphous chalcogenide materials, in terms of the behaviour of hypervalent structural units, and its implicit relationship with material properties. The origin of a material-dependent tendency towards hypervalency is made evident with the multi-centre hyperbonding model, from which its relationship to abnormally large Born effective charges is also unambiguously revealed. The hyperbonding model is here extended to include interactions with cation s2 lone pairs (LPs); such deep-lying LPs can also play a significant role in determining the properties of these chalcogenide materials. The role of hypervalency constitutes an indispensable and important part of chemical interactions in amorphous and crystalline chalcogenide solids.
Structures of a deltacoronavirus spike protein bound to porcine and human receptors
Authors: Ji Weiwei , Peng Qi , Fang Xueqiong , Li Zehou , Li Yaxin , Xu Cunfa , Zhao Shuqing , Li Jizong , Chen Rong , Mo Guoxiang , Wei Zhanyong , Xu Ying , Li Bin , Zhang Shuijun
Published: March 2022

Porcine deltacoronavirus (PDCoV) can experimentally infect a variety of animals. Human infection by PDCoV has also been reported. Consistently, PDCoV can use aminopeptidase N (APN) from different host species as receptors to enter cells. To understand this broad receptor usage and interspecies transmission of PDCoV, we determined the crystal structures of the receptor binding domain (RBD) of PDCoV spike protein bound to human APN (hAPN) and porcine APN (pAPN), respectively. The structures of the two complexes exhibit high similarity. PDCoV RBD binds to common regions on hAPN and pAPN, which are different from the sites engaged by two alphacoronaviruses: HCoV-229E and porcine respiratory coronavirus (PRCoV). Based on structure guided mutagenesis, we identified conserved residues on hAPN and pAPN that are essential for PDCoV binding and infection. We report the detailed mechanism for how a deltacoronavirus recognizes homologous receptors and provide insights into the cross-species transmission of PDCoV.
Real-time nanomechanical property modulation as a framework for tunable NEMS
Authors: Ali Utku Emre , Modi Gaurav , Agarwal Ritesh , Bhaskaran Harish
Published: March 2022

Phase-change materials (PCMs) can switch between amorphous and crystalline states permanently yet reversibly. However, the change in their mechanical properties has largely gone unexploited. The most practical configuration using suspended thin-films suffer from filamentation and melt-quenching. Here, we overcome these limitations using nanowires as active nanoelectromechanical systems (NEMS). We achieve active modulation of the Young’s modulus in GeTe nanowires by exploiting a unique dislocation-based route for amorphization. These nanowire NEMS enable power-free tuning of the resonance frequency over a range of 30%. Furthermore, their high quality factors ($$Q$$
Q
 > 104) are retained after phase transformation. We utilize their intrinsic piezoresistivity with unprecedented gauge factors (up to 1100) to facilitate monolithic integration. Our NEMS demonstrate real-time frequency tuning in a frequency-hopping spread spectrum radio prototype. This work not only opens up an entirely new area of phase-change NEMS but also provides a novel framework for utilizing functional nanowires in active mechanical systems.
Vibrational fingerprints of ferroelectric HfO2
Authors: Fan Shiyu , Singh Sobhit , Xu Xianghan , Park Kiman , Qi Yubo , Cheong S. W. , Vanderbilt David , Rabe Karin M. , Musfeldt J. L.
Published: March 2022

Hafnia (HfO2) is a promising material for emerging chip applications due to its high-κdielectric behavior, suitability for negative capacitance heterostructures, scalable ferroelectricity, and silicon compatibility. The lattice dynamics along with phononic properties such as thermal conductivity, contraction, and heat capacity are under-explored, primarily due to the absence of high quality single crystals. Herein, we report the vibrational properties of a series of HfO2crystals stabilized with yttrium (chemical formula HfO2: xY, wherex = 20, 12, 11, 8, and 0%) and compare our findings with a symmetry analysis and lattice dynamics calculations. We untangle the effects of Y by testing our calculations against the measured Raman and infrared spectra of the cubic, antipolar orthorhombic, and monoclinic phases and then proceed to reveal the signature modes of polar orthorhombic hafnia. This work provides a spectroscopic fingerprint for several different phases of HfO2and paves the way for an analysis of mode contributions to high-κdielectric and ferroelectric properties for chip technologies.
Tamoxifen treatment ameliorates contractile dysfunction of Duchenne muscular dystrophy stem cell-derived cardiomyocytes on bioengineered substrates
Authors: Birnbaum Foster , Eguchi Asuka , Pardon Gaspard , Chang Alex C. Y. , Blau Helen M.
Published: March 2022

Duchenne muscular dystrophy (DMD) is a progressive genetic myopathy that leads to heart failure from dilated cardiomyopathy by early adulthood. Recent evidence suggests that tamoxifen, a selective estrogen receptor modulator widely used to treat breast cancer, ameliorates DMD cardiomyopathy. However, the mechanism of action of 4-hydroxytamoxifen, the active metabolite of tamoxifen, on cardiomyocyte function remains unclear. To examine the effects of chronic 4-hydroxytamoxifen treatment, we used state-of-the-art human-induced pluripotent stem cell-derived cardiomyocytes (iPSC-CMs) and a bioengineered platform to model DMD. We assessed the beating rate and beating velocity of iPSC-CMs in monolayers and as single cells on micropatterns that promote a physiological cardiomyocyte morphology. We found that 4-hydroxytamoxifen treatment of DMD iPSC-CMs decreased beating rate, increased beating velocity, and ameliorated calcium-handling deficits, leading to prolonged viability. Our study highlights the utility of a bioengineered iPSC-CM platform for drug testing and underscores the potential of repurposing tamoxifen as a therapy for DMD cardiomyopathy.
Transcriptomic analysis of human sensory neurons in painful diabetic neuropathy reveals inflammation and neuronal loss
Authors: Hall Bradford E. , Macdonald Emma , Cassidy Margaret , Yun Sijung , Sapio Matthew R. , Ray Pradipta , Doty Megan , Nara Pranavi , Burton Michael D. , Shiers Stephanie , Ray-Chaudhury Abhik , Mannes Andrew J. , Price Theodore J. , Iadarola Michael J. , Kulkarni Ashok B.
Published: March 2022

Pathological sensations caused by peripheral painful neuropathy occurring in Type 2 diabetes mellitus (T2DM) are often described as ‘sharp’ and ‘burning’ and are commonly spontaneous in origin. Proposed etiologies implicate dysfunction of nociceptive sensory neurons in dorsal root ganglia (DRG) induced by generation of reactive oxygen species, microvascular defects, and ongoing axonal degeneration and regeneration. To investigate the molecular mechanisms contributing to diabetic pain, DRGs were acquired postmortem from patients who had been experiencing painful diabetic peripheral neuropathy (DPN) and subjected to transcriptome analyses to identify genes contributing to pathological processes and neuropathic pain. DPN occurs in distal extremities resulting in the characteristic “glove and stocking” pattern. Accordingly, the L4 and L5 DRGs, which contain the perikarya of primary afferent neurons innervating the foot, were analyzed from five DPN patients and compared with seven controls. Transcriptome analyses identified 844 differentially expressed genes. We observed increases in levels of inflammation-associated transcripts from macrophages in DPN patients that may contribute to pain hypersensitivity and, conversely, there were frequent decreases in neuronally-related genes. The elevated inflammatory gene profile and the accompanying downregulation of multiple neuronal genes provide new insights into intraganglionic pathology and mechanisms causing neuropathic pain in DPN patients with T2DM.
Nonequilibrium band occupation and optical response of gold after ultrafast XUV excitation
Authors: Ndione Pascal D. , Weber Sebastian T. , Gericke Dirk O. , Rethfeld Baerbel
Published: March 2022

Free electron lasers offer unique properties to study matter in states far from equilibrium as they combine short pulses with a large range of photon energies. In particular, the possibility to excite core states drives new relaxation pathways that, in turn, also change the properties of the optically and chemically active electrons. Here, we present a theoretical model for the dynamics of the nonequilibrium occupation of the different energy bands in solid gold driven by exciting deep core states. The resulting optical response is in excellent agreement with recent measurements and, combined with our model, provides a quantitative benchmark for the description of electron–phonon coupling in strongly driven gold. Focusing on sub-picosecond time scales, we find essential differences between the dynamics induced by XUV and visible light.
Anti-inflammatory effects of mesenchymal stem cell-conditioned media inhibited macrophages activation in vitro
Authors: Jin Quan-He , Kim Hyung-Keun , Na Ju-Yong , Jin Cheng , Seon Jong-Keun
Published: March 2022

The immunomodulatory effects of mesenchymal stem cells (MSCs) on macrophages have been reported, however, the underlying mechanism remains unknown. Therefore, this study aimed to investigate the anti-inflammatory effects of MSCs on lipopolysaccharide (LPS)-stimulated macrophages and the subsequent downregulation of their inflammatory mediators. Macrophages were treated with conditioned media from MSCs, without a subsequent change of MSCs responding to the inflammation state. This study also evaluated whether the interleukin (IL) 4 stimulation of MSCs can improve their anti-inflammatory effects. Results demonstrated that the MSC-conditioned medium (MSC-CM) stimulated with IL4 significantly inhibited inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2) protein expression of LPS-activated macrophages. MSC-CM treatment inhibited the mRNA transcription of the cytokines IL1β and IL6, the chemokines C–C motif ligand (CCL) 2, CCL3, CCL4, and CCL5, and the chemokine receptors CCR2 and CCR5, in LPS-stimulated macrophages. As revealed through western blot and immunofluorescence analyses, the phosphorylation of p38, JNK, and ERK MAPKs, as well as phosphorylation of NF-κB in stimulated macrophages, were also inhibited by the MSC-CM. Further, more potent anti-inflammatory effects were observed with the IL4-stimulated cells, compared with those observed with the non-stimulated cells. The MSC-CM demonstrated a potent anti-inflammatory effect on LPS-activated macrophages, while the IL4 stimulation improved this effect. These findings indicate that MSCs could exert anti-inflammatory effects on macrophages, and may be considered as a therapeutic agent in inflammation treatment.
A knowledge graph of clinical trials ($$\mathop {\mathtt {CTKG}}\limits$$)
Authors: Chen Ziqi , Peng Bo , Ioannidis Vassilis N. , Li Mufei , Karypis George , Ning Xia
Published: March 2022

Effective and successful clinical trials are essential in developing new drugs and advancing new treatments. However, clinical trials are very expensive and easy to fail. The high cost and low success rate of clinical trials motivate research on inferring knowledge from existing clinical trials in innovative ways for designing future clinical trials. In this manuscript, we present our efforts on constructing the first publicly available Clinical Trials Knowledge Graph, denoted as$$\mathop {\mathtt {CTKG}}\limits$$CTKG.$$\mathop {\mathtt {CTKG}}\limits$$CTKGincludes nodes representing medical entities in clinical trials (e.g., studies, drugs and conditions), and edges representing the relations among these entities (e.g., drugs used in studies). Our embedding analysis demonstrates the potential utilities of$$\mathop {\mathtt {CTKG}}\limits$$CTKGin various applications such as drug repurposing and similarity search, among others.
Genetic and morphological variation of Vespa velutina nigrithorax which is an invasive species in a mountainous area
Authors: Do Yuno , Park Woong-Bae , Park Jun-Kyu , Kim Chang‐Jun , Choi Moon Bo
Published: March 2022

The yellow-legged hornet (Vespa velutina nigrithorax) is an invasive species in South Korea with negative economic, ecological, and public health impacts. We investigated genetic and morphological variation in the species populations on Mt. Jiri, the tallest mountain in South Korea. We hypothesized that a high-altitude would be negatively correlated with the genetic diversity of the hornet population, and hornet wing morphology would change with an increase in altitude. Our results showed that the genetic diversity of yellow-legged hornets did not decrease as altitude increased. Regardless of the altitude, the inbreeding coefficient was high at the newly colonized sites. A single genetic population occurred in the mountainous areas examined and gradually expanded its range. Wing morphology, especially shape, did not change with an increase in altitude or decrease in temperature. Although snow cover and cool temperatures at high altitudes could limit nest-building activities, they did not prevent the extension of the range of the species. Therefore, the yellow-legged hornet cannot be controlled naturally by climate or topography; combined approaches, including chemical control, nest removal, and bait-trapping techniques should be implemented.
Assessment of deep convolutional neural network models for species identification of forensically-important fly maggots based on images of posterior spiracles
Authors: Apasrawirote Darlin , Boonchai Pharinya , Muneesawang Paisarn , Nakhonkam Wannacha , Bunchu Nophawan
Published: March 2022

Forensic entomology is the branch of forensic science that is related to using arthropod specimens found in legal issues. Fly maggots are one of crucial pieces of evidence that can be used for estimating post-mortem intervals worldwide. However, the species-level identification of fly maggots is difficult, time consuming, and requires specialized taxonomic training. In this work, a novel method for the identification of different forensically-important fly species is proposed using convolutional neural networks (CNNs). The data used for the experiment were obtained from a digital camera connected to a compound microscope. We compared the performance of four widely used models that vary in complexity of architecture to evaluate tradeoffs in accuracy and speed for species classification including ResNet-101, Densenet161, Vgg19_bn, and AlexNet. In the validation step, all of the studied models provided 100% accuracy for identifying maggots of 4 species including Chrysomya megacephala (Diptera: Calliphoridae), Chrysomya (Achoetandrus) rufifacies (Diptera: Calliphoridae), Lucilia cuprina (Diptera: Calliphoridae), and Musca domestica (Diptera: Muscidae) based on images of posterior spiracles. However, AlexNet showed the fastest speed to process the identification model and presented a good balance between performance and speed. Therefore, the AlexNet model was selected for the testing step. The results of the confusion matrix of AlexNet showed that misclassification was found between C. megacephala and C. (Achoetandrus) rufifacies as well as between C. megacephala and L. cuprina. No misclassification was found for M. domestica. In addition, we created a web-application platform called thefly.ai to help users identify species of fly maggots in their own images using our classification model. The results from this study can be applied to identify further species by using other types of images. This model can also be used in the development of identification features in mobile applications. This study is a crucial step for integrating information from biology and AI-technology to develop a novel platform for use in forensic investigation.
A numerical algorithm for modeling cellular rearrangements in tissue morphogenesis
Authors: Mohammad Rhudaina Z. , Murakawa Hideki , Svadlenka Karel , Togashi Hideru
Published: March 2022

Among morphological phenomena, cellular patterns in developing sensory epithelia have gained attention in recent years. Although physical models for cellular rearrangements are well-established thanks to a large bulk of experimental work, their computational implementation lacks solid mathematical background and involves experimentally unreachable parameters. Here we introduce a level set-based computational framework as a tool to rigorously investigate evolving cellular patterns, and study its mathematical and computational properties. We illustrate that a compelling feature of the method is its ability to correctly handle complex topology changes, including frequent cell intercalations. Combining this accurate numerical scheme with an established mathematical model, we show that the proposed framework features minimum possible number of parameters and is capable of reproducing a wide range of tissue morphological phenomena, such as cell sorting, engulfment or internalization. In particular, thanks to precise mathematical treatment of cellular intercalations, this method succeeds in simulating experimentally observed development of cellular mosaic patterns in sensory epithelia.
Integration of experimental data and use of automated fitting methods in developing protein force fields
Authors: Polêto Marcelo D. , Lemkul Justin A.
Published: March 2022

The development of accurate protein force fields has been the cornerstone of molecular simulations for the past 50 years. During this period, many lessons have been learned regarding the use of experimental target data and parameter fitting procedures. Here, we review recent advances in protein force field development. We discuss the recent emergence of polarizable force fields and the role of electronic polarization and areas in which additive force fields fall short. The use of automated fitting methods and the inclusion of additional experimental solution data during parametrization is discussed as a means to highlight possible routes to improve the accuracy of force fields even further.
A topological kagome magnet in high entropy form
Authors: Min Lujin , Sretenovic Milos , Heitmann Thomas W. , Valentine Tyler W. , Zu Rui , Gopalan Venkatraman , Rost Christina M. , Ke Xianglin , Mao Zhiqiang
Published: March 2022

Topological kagome magnets RMn6Sn6 (R = rare earth element) attract numerous interests due to their non-trivial band topology and room-temperature magnetism. Here, we report a high entropy version of kagome magnet, (Gd0.38Tb0.27Dy0.20Ho0.15)Mn6Sn6. Such a high entropy material exhibits multiple spin reorientation transitions, which is not seen in all the related parent compounds and can be understood in terms of competing magnetic interactions enabled by high entropy. Furthermore, we also observed an intrinsic anomalous Hall effect, indicating that the high entropy phase preserves the non-trivial band topology. These results suggest that high entropy may provide a route to engineer the magnetic structure and expand the horizon of topological materials.
Geothermal energy as a means to decarbonize the energy mix of megacities
Authors: Vargas Carlos A. , Caracciolo Luca , Ball Philip J.
Published: March 2022

The global number of megacities is projected to increase from 33 to 43 by 2030. Megacities are critical for the world’s economy; however, their resource management is particularly challenging. The increase of energy demand, in parallel to population growth and climate change, requires urgent investment in sustainable energies. We examine the megacities of Bogotá, Los Angeles, and Jakarta and reveal that the potential geothermal resource base is enough to cover the residential electricity demand by 1.14, 4.25, 1.84 times, respectively. Geothermal energy, a clean baseload resource independent from weather conditions, could significantly contribute to energy needs, improved air quality, and the decarbonization of the world’s megacities. We conclude that it is critical that governments and public are educated about the benefits of geothermal. Moreover, those energy policies coupled with investment in research and development are needed to ensure geothermal is successfully integrated into the future energy mix.
New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides
Authors: Machalska Ewa , Zając Grzegorz , Baranska Malgorzata , Bouř Petr , Kaczorek Dorota , Kawęcki Robert , Rode Joanna E. , Lyczko Krzysztof , Dobrowolski Jan Cz.
Published: March 2022

We found that a recently discovered ECD-Raman effect dominated over the natural Raman optical activity in a series of atropisomeric naphthalenediimides, and we studied information about the molecular structure that could be obtained from the spectra.
Effect of the crystallization mechanism on zeolite BEA textural and acidic properties
Authors: Bok Tatiana O. , Andriako Egor P. , Knyazeva Elena E. , Ivanova Irina I.
Published: March 2022

The crystallization mechanism affects the zeolite BEA crystal morphology and texture as well as the Al distribution along its crystal and acidic properties.
Accommodation of helium in PuO2±x and the role of americium
Authors: Neilson William D. , Steele Helen , Kaltsoyannis Nikolas , Murphy Samuel T.
Published: March 2022

The high alpha-activity of plutonium dioxide (PuO2) results in significant ingrowth of radiogenic helium (He) in the aged material.
Effect of metal complexation on diglycolamide radiolysis: a comparison between ex situ gamma and in situ alpha irradiation
Authors: Kimberlin Ashleigh , Saint-Louis Georges , Guillaumont Dominique , Camès Béatrice , Guilbaud Philippe , Berthon Laurence
Published: March 2022

In situ alpha irradiation combined with ex situ gamma irradiation of TODGA solvent showed that metal ions complexed in the organic phase protect TODGA from degradation by irradiation.
Insight into morphology dependent charge carrier dynamics in ZnSe–CdS nanoheterostructures
Authors: Mittal Mona , Dana Jayanta , Lübkemann Franziska , Ghosh Hirendra N. , Bigall Nadja C. , Sapra Sameer
Published: March 2022

The amount of hydrogen generation follows the order of NSs < NPs < NRs, emphasizing the effect of morphology on the enhancement of photo-induced charge separation and suppression of backward recombination.
Binding reactions at finite systems
Authors: Zangi Ronen
Published: March 2022

Correlations in reactants' concentrations ought to be accounted for in the expression of the equilibrium constant.
The mechanochemical synthesis of polymers
Authors: Krusenbaum Annika , Grätz Sven , Tigineh Getinet Tamiru , Borchardt Lars , Kim Jeung Gon
Published: March 2022

Mechanochemistry enables solvent-free syntheses of even novel polymer structures without the need of monomer solubility.
Kinetic modeling of lipase-catalysed hydrolysis of triacylglycerol in a reverse micelle system for the determination of integral stereoselectivity
Authors: Choi Yoonseok , Chang Pahn-Shick
Published: March 2022

A kinetic model for lipase-catalysed stepwise hydrolysis of triacylglycerol was developed for quantification of integral stereoselectivity.
Emerging investigator series: effects of sediment particle size on the spatial distributions of contaminants and bacterial communities in the reservoir sediments
Authors: Chen Wenbin , Wang Ying , Wang Leigang , Ji Yu , Wang Qilin , Li Ming , Gao Li
Published: March 2022

This study investigates the effects of sediment particle size on the spatial distributions of contaminants and bacterial communities in the reservoir sediments, which can guide the implementation of partial desilting in the reservoirs.
Age-dependent effects of a high-fat diet combined with dietary advanced glycation end products on cognitive function and protection with voluntary exercise
Authors: Luo Lan , Li Rui , Wang Guiping , Chen Jingsi , Chen Liangkai , Qin Li-Qiang , Yu Zengli , Wan Zhongxiao
Published: March 2022

Compared to HFD, HFD combined with an AGEs diet induced worse memory abilities only in middle-aged mice. Voluntary exercise effectively reversed the impaired cognitive performance from both age of mice, but differential mechanisms were observed.
Theaflavin-3,3′-di-gallate represses prostate cancer by activating the PKCδ/aSMase signaling pathway through a 67 kDa laminin receptor
Authors: Sun Lingli , Wen Shuai , Li Qiuhua , Lai Xingfei , Chen Ruohong , Zhang Zhenbiao , Cao Junxi , Sun Shili
Published: March 2022

Theaflavin-3,3′-digallate (TF-3) exerted anti-prostate cancer effect by activating the PKCδ/aSMase pathway through 67LR.
The sustainability of phytomass-derived materials: thermodynamical aspects, life cycle analysis and research perspectives
Authors: Duchemin B.
Published: March 2022

A multiscale approach to sustainability was selected to analyse lignocellulose uses and availability with a focus on biomass growth, paper, insulation, construction wood, information and communication technologies, and biobased textiles.
U–Pb dating of andradite-rich garnet by SIMS
Authors: Huang Yong-Shu , Zhao Wen-Hao , Liu Yu , Yang Yue-Heng , Tang Guo-Qiang , Li Yang , Li Xian-Hua , Zhao Han , Li Qiu-Li
Published: March 2022

The SIMS U–Pb dating method for andradite-rich garnet with the andradite composition ranging from 52 to 95 mol% was developed.
An evaluation of M2+ interference correction approaches associated with As and Se in ICP-MS using a multi-day dataset along with ICP-MS/MS/HR-ICP-MS based analysis and hierarchical modeling as a means of assessing bias in fortified drinking waters and single component matrices
Authors: Smith Skyler W. , Martin Roy W. , Hanks Nicole , Creed Patricia A. , Kovalcik Kasey , Wilson Robert A. , Kubachka Kevin , Brisbin Judith A. , Landero Figueroa Julio A. , Creed John T.
Published: March 2022

M2+ internal standard ions mimic the drift of other M2+ ions better than M1+. ICP-MS/MS and HR-ICP-MS are used to assess the bias of various M2+ corrections while a Bayesian hierarchical model is used to estimate day to day impacts on the correction.
Validating the high-precision measurement of Mo isotopes at the 5 ng level using double spike MC-ICP-MS
Authors: Zhu Hong-Gang , Zhu Jian-Ming , Tan Decan , Lin Xuan , Lu Kaite , Yang Wen
Published: March 2022

Comparison of measured results for SGR-1b, NIST 3134, and NOD-P-1 at varying concentrations.
New methods for determination of the mass-independent and mass-dependent platinum isotope compositions of iron meteorites by MC-ICP-MS
Authors: Poole Graeme M. , Stumpf Roland , Rehkämper Mark
Published: March 2022

We have developed methods to accurately determine the platinum isotope compositions of iron meteorites. These can be used to investigate processes of planetary formation and evolution, including accretion and core crystallisation.
Structure–gelation property relationships of phenolic glycosides of pentose sugars: pH dependent controlled release of curcumin
Authors: Pathak Navendu P. , Sengupta Arunava , Yadav Somnath
Published: March 2022

Herein, we explored a library of structurally simple phenolic glycopyranosides of pentose sugars as organogelators, with the objective of finding a correlation between the sugar configuration and gelation ability.
A novel dibenzo[a,c]phenazine-based fluorescent probe for fast and selective detection of thiophenols in environmental water
Authors: Guo Shuju , Wang Lijun , Jiang Bo
Published: March 2022

A new dibenzo[a,c]phenazine-based fluorescent probe exhibits high selectivity and sensitivity towards thiophenols in environmental water.
Linear and nonlinear optical properties of transfer ribonucleic acid (tRNA) thin solid films
Authors: Ghasemi Marjan , Jeong Hayoung , Kim Donggyu , Kim Byungjoo , Jang Joon Ik , Oh Kyunghwan
Published: March 2022

Optical measurements of one of the vital biological molecules (RNA) in the human body.
Poly-phenylene jacketed tailor-made dendritic phenylazomethine ligand for nanoparticle synthesis
Authors: Albrecht Ken , Taguchi Maki , Tsukamoto Takamasa , Moriai Tatsuya , Yoshida Nozomi , Yamamoto Kimihisa
Published: March 2022

A new design concept of a dendritic ligand with regulated number coordination sites is proposed, and capability as a template for nanoparticle synthesis is demonstrated.
Identifying the charge density and dielectric environment of graphene using Raman spectroscopy and deep learning
Authors: Chen Zhuofa , Khaireddin Yousif , Swan Anna K.
Published: March 2022

We built a CNN model to classify graphene Raman spectra. Compared to other deep learning models and machine learning algorithms studied in this work, the CNN model achieves a high accuracy of 99% and is less sensitive to the SNR of Raman spectra.
Prediction of the photoelectrochemical performance of hematite electrodes using analytical data
Authors: Nagai Yuya , Katayama Kenji
Published: March 2022

Combination of analytical data could predict and specify the critical factors for the photoelectrode performance.
Structural basis of the radical pair state in photolyases and cryptochromes
Authors: Cellini Andrea , Shankar Madan Kumar , Wahlgren Weixiao Yuan , Nimmrich Amke , Furrer Antonia , James Daniel , Wranik Maximilian , Aumonier Sylvain , Beale Emma V. , Dworkowski Florian , Standfuss Jörg , Weinert Tobias , Westenhoff Sebastian
Published: March 2022

The structural response of the drosophila (6-4) photolyase to photoinduced electron transfer along a chain of tryptophans is revealed using a serial crystallographic snapshot of the protein in its radical pair state.
Metal–organic cages against toxic chemicals and pollutants
Authors: Percástegui Edmundo G.
Published: March 2022

Metal–organic cages can selectively encapsulate, adsorb, remove from water, or chemically degrade toxic substances and pollutants; notable examples are highlighted.
Energetic host–guest inclusion compounds: an effective design paradigm for high-energy materials
Authors: Guo Zhaoqi , Wang Yu , Zhang Yazhou , Ma Haixia
Published: March 2022

Due to the stringent requirements of performance, safety, and cost for the development of new energetic materials (EMs), the synthesis of host–guest inclusion compounds is an attractive way to fully exploit the application potential of existing EMs.
Inclusion complexes of the macrocycle nonactin with benchmark protonated amines: aniline and serine
Authors: Avilés-Moreno Juan Ramón , Gámez Francisco , Berden Giel , Oomens Jos , Martínez-Haya Bruno
Published: March 2022

Nonactin binds protonated aniline and l-serine via coordination of oxolane O atoms with the ammonium moiety. The accommodation of the side groups of l-serine is favoured when nonactin adopts an enantiomeric-selective folding.
Triethylsulfonium-based ionic liquids enforce lithium salt electrolytes
Authors: Haghani Hossein , Behrouz Marzieh , Chaban Vitaly V.
Published: March 2022

The demand for cheap production of energy and its efficient storage is huge nowadays.
Pyrazole-, isoxazole- and pyrrole-ring fused derivatives of C60: synthesis and electrochemical properties as well as morphological characterization
Authors: BinSabt Mohammad H. , Alazemi Abdulrahman , Al-Matar Hamad M. , Balch Alan L. , Shalaby Mona A.
Published: March 2022

Pyrazole-, isoxazole- and pyrrole-ring fused derivatives of C60.
Preparation and performance of novel Ni-doped iron oxychloride with high singlet oxygen generation
Authors: Lu Deli , Chen Zhe , Yang Qidong , Han Sheng
Published: March 2022

Singlet oxygen with lower oxide electrode potential but higher selective oxidation ability towards specific organic contaminants has been paid a great deal of attention.
Boron doped fluorescent carbon nano dots for the reduction of ionic dyes and as encryption/decryption QR security code labels
Authors: Vinoth Kumar Jothi , Arul Velusamy , Arulmozhi Rajaram , Abirami Natarajan
Published: March 2022

This work discusses the synthesis of fluorescent undoped and boron-doped carbon nanodots (BDCNDs) by a simple hydrothermal approach usingTribulus terrestrisas the carbon precursor and boric acid as the boron source.
Enhanced surface properties of a graphene oxide reinforced high-entropy alloy composite prepared by spark plasma sintering
Authors: Zhang Wei , Ma Zhichao , Liu Dongni , Xiong Junming , Zhao Hongwei , Ren Luquan
Published: March 2022

A graphene oxide reinforced high-entropy alloy composite was prepared by spark plasma sintering. The surface hardness and wear resistance of the high-entropy alloy were significantly improved after the addition of graphene oxide reinforcement.
Reducing the crystallinity of PCL chains by copolymerization with substituted δ/ε-lactones and its impact on the phase separation of PCL-based block copolymers
Authors: Kayser Franck , Fleury Guillaume , Thongkham Somprasong , Navarro Christophe , Martin-Vaca Blanca , Bourissou Didier
Published: March 2022

Different self-segregation behavior of ABA triblock copolymers with central PBD or PBD H blocks and semi-crystalline or amorphous PCL-like external blocks.
Topology-directed multi-tunable self-assembly of linear and tadpole-shaped amorphous-responsive-crystalline terpolymers
Authors: Liu Peng , Wang Zhigang , Hu Jiaman , Zhao Youliang
Published: March 2022

Rational design of ABC linear terpolymer and (c-AB)C tadpole-shaped terpolymer allows the construction of a topology-directed crystallization/thermo/pH-tunable hierarchical self-assembly platform.
The copper-catalyzed radical aminophosphinoylation of maleimides with anilines and diarylphosphine oxides
Authors: Xu Yaling , Zhou Xueying , Chen Luya , Ma Yunfei , Wu Ge
Published: March 2022

The radical aminophosphinoylation of maleimides with anilines and diarylphosphine oxides.
D–π–A type conjugated indandione derivatives: ultrafast broadband nonlinear absorption responses and transient dynamics
Authors: Chen Lu , Wu Xingzhi , Li Zhongguo , Niu Ruipeng , Zhou Wenfa , Liu Kun , Sun Yingfei , Shao Zhangyang , Yang Junyi , Song Yinglin
Published: March 2022

In the red region (650–800 nm), the nonlinear absorption of trithiophene-based compound INT3 is greater than that of triphenylamine-based compound INB3, while in the NIR region (800–1100 nm), the strength of nonlinear absorption is the opposite.
A heavily doped germanium pyramid array for tunable optical antireflection in the broadband mid-infrared range
Authors: Son Bongkwon , Shin Sang-Ho , Jin Yuhao , Liao Yikai , Zhao Zhi-Jun , Jeong Jun-Ho , Wang Qi Jie , Wang Xincai , Tan Chuan Seng , Kim Munho
Published: March 2022

A highly ordered microscale Ge inverted pyramid array is fabricated by HF-free metal-assisted chemical etching. Doping in the structure significantly modifies the reflection behavior in the mid-infrared region.
Online Training Modules for Teaching Assessment Skills to Graduate Student Clinicians
Authors: Radville Katharine M. , Larrivee Emilie C. , Baron Lauren S. , Kelley-Nazzaro Patricia , Christodoulou Joanna A.
Published: March 2022

Purpose:

Assessment is a crucial skill for speech-language pathologists, who rely on standardized tests to identify characteristics of speech, language, hearing, literacy, and related skill sets. Training in assessment administration is an integral part of graduate education that lays the foundation for appropriate use of these tools. Teaching students to administer standardized assessments is time intensive, can vary depending on student learning pace, and involves both general and test-specific knowledge. The current pilot study investigated the effectiveness of researcher-developed and scalable online training modules for beginning and advanced graduate students for knowledge and self-efficacy outcomes.

Method:

Graduate students (
n
= 61) across four cohorts (two beginning and two advanced) were trained using online, asynchronous assessment training modules. The modules addressed the administration of standardized assessments using written tutorials, video demonstrations, and quizzes. Students completed pre- and posttests on knowledge and self-efficacy for administering and scoring the trained assessments before and after the online training modules.

Results:

We found significant pretest to posttest gains in specific assessment-related knowledge for beginning and advanced groups. Following completion of the training modules, beginning graduate students demonstrated increased self-efficacy for general assessment principles, whereas advanced graduate students started and remained high in self-efficacy at posttest.

Conclusions:

Using researcher-developed online training modules, both beginning and advanced graduate students improved knowledge for assessment skills. These training modules can be used as a model for developing teaching materials across a range of assessments and related topics that are scalable in the context of remote teaching and learning.
Star formation of X-ray AGN in COSMOS: The role of AGN activity and galaxy stellar mass
Authors: Mountrichas G. , Masoura V. A. , Xilouris E. M. , Georgantopoulos I. , Buat V. , Paspaliaris E.-D.
Published: March 2022

We use approximately 1000 X-ray sources in the COSMOS-Legacy survey and study the position of the AGN relative to the star forming main sequence (MS). We also construct a galaxy (non-AGN) reference sample that includes about 90 000 sources. We apply the same photometric selection criteria to both datasets and construct their spectral energy distributions (SEDs) using optical to far-infrared photometry compiled by the HELP project. We perform SED fitting using the X-CIGALE algorithm and the same parametric grid for both datasets in order to measure the star formation rate (SFR) and stellar mass of the sources. The mass completeness of the data is calculated at different redshift intervals and is applied to both samples. We define our own MS based on the distributions of the specific SFR at different redshift ranges and exclude quiescent galaxies from our analysis. These allow us to compare the SFR of the two populations in a uniform manner, minimising systematic errors and selection effects. Our results show that at low to moderate X-ray luminosities, AGN tend to have lower or at most equal SFRs compared to non-AGN systems with similar stellar mass and redshift. At higher (LX, 2 − 10 keV > 2 − 3 × 1044 erg s−1), we observe an increase in the SFR of AGN for systems that have 10.5 < log [M*(M⊙)] < 11.5.
Quelle place pour l’imagerie sismique dans la caractérisation des failles en domaine intraplaque ?
Authors: Manchuel Kevin , Pouliquen Sylvain , Vergniault Christophe , Arroucau Pierre , Le Roux Mallouf Romain , Ritz Jean-François
Published: March 2022

Localisés à distance des grandes limites de plaques lithosphériques, les domaines intraplaques présentent de faibles vitesses de déformation géologique, se traduisant par des niveaux de sismicité faibles à modérés, avec des temps de retour longs entre deux séismes significatifs. Dans ces régions, les processus de surface sont plus rapides que les processus tectoniques et tendent à effacer les éventuelles traces de rupture laissées en surface par des séismes majeurs du passé. L’estimation de l’activité des failles dans de tels contextes nécessite la mise en œuvre d’une approche pluridisciplinaire combinant géophysique, géologie et paléosismologie. Nous présentons ici l’approche développée par EDF, dans le cadre de ses études d’aléa sismique, pour améliorer la connaissance des failles en France métropolitaine, en se focalisant sur l’utilisation de la sismique réflexion (imagerie) à différentes échelles. Les lignes sismiques de Haute Résolution (HR ; i.e. sismique profonde de type pétrolière) permettent d’estimer la localisation et la géométrie des failles en profondeur, ainsi que leur histoire cinématique. La sismique ultra haute résolution en ondes S (UHRS) donne quant à elle une information sur la localisation des failles en très proche surface et permet de localiser d’éventuelles tranchées paléosismologiques visant à analyser l’activité des failles.
Synthesis of P- and S-Stereogenic Compounds via Enantioselective C–H Functionalization
Authors: Qian Pu-Fan , Li Jun-Yi , Zhou Tao , Shi Bing-Feng
Published: March 2022

Transition metal-catalyzed enantioselective C–H functionalization has emerged as an efficient and powerful strategy to access various chiral molecules. Recently, this strategy has also provided a complementary pathway to the construction of P- and S-stereogenic compounds. In this short review, we summarize the development and applications of various catalytic systems: Pd(II)/mono-N-protected amino acids (MPAA), Pd(0)/trivalent phosphorus chiral ligands, chiral cyclopentadienyl-ligated metal catalysts [CpxM(III)] (M = Rh, Ir), half-sandwich d6 Ir(III) and Ru(II) with a chiral carboxylic acid (CCA) ligand, Ir(I)/chiral bidentate boryl ligand, and Ir(I)/chiral cation, for accessing these chiral compounds via enantioselective C–H functionalization.

1 Introduction

2 Pd(II)/Mono-N-protected Amino Acids

3 Pd(0)/Trivalent Phosphorus Chiral Ligands

4 Chiral Cyclopentadienyl-Ligated Metal Catalysts [CpxM(III)] (M = Rh, Ir)

5 Half-sandwich d6 Ir(III) and Ru(II) with a Chiral Carboxylic Acid (CCA) Ligand

6 Ir(I)/Chiral Bidentate Boryl Ligand

7 Ir(I)/Chiral Cation

8 Conclusion and Outlook
Assessment of Laparoscopic Posterior Mesh Rectopexy for Complete Rectal Prolapse: A Case Series with Review of Literature
Authors: Chawda Vishal , Joshi Abhijit
Published: March 2022

Background Trans-abdominal rectopexy for complete rectal prolapse (CRP) reportedly yields more definitive results as compared with trans-perineal surgery. In the era of minimal access surgery, minimally invasive laparoscopic rectopexy has become a popular treatment option for patients with rectal prolapse (RP). Herein, we describe our preferred surgical procedure for the correction of RP and evaluate its results. We further aim to perform a comparative assessment between perioperative outcomes achieved with open and laparoscopic applications of this technique.

Materials and methods This was a retrospective cross-sectional observational study conducted at a tertiary health care center in Maharashtra, India. We studied cases of RP who underwent laparoscopic posterior mesh rectopexy during the past 15 years (2005–2021), in our institution, operated upon by a single surgeon.

Results Of the total 14 patients, 12 were managed with laparoscopic posterior mesh rectopexy. The remaining two underwent laparoscopic suture rectopexy. The mean operative time was 120 minutes. Constipation improved among 28.57%, remained the same among 21.42%, and worsened among 35.71% patients. No intra-operative blood transfusion was required. Mean length of hospital stay was 4 days. There were no recurrences over a mean follow-up period of 94 months, i.e., 7.83 years (range 7–197 months).

Conclusions Laparoscopic posterior rectopexy can be safely performed in older patients to achieve early postoperative ambulation and significantly shorten the hospital stay. It may, therefore, be considered an effective treatment for CRP and urinary dysfunction. However, the incidence of de-novo constipation and worsening of pre-existing constipation is significantly high.
Improved multivariable reasoning control method for carbon content control of argon–oxygen refining ferrochrome
Authors: Jiang Baoliang , Wei Bingkun , Ma Haitao , You Yuan , Guan Changjun
Published: March 2022

In order to control the end-point carbon content in the process of argon–oxygen refining ferrochromium alloys, according to the mechanism model of the oxygen supply rate and carbon content variation, the mechanism model of the argon supply rate and carbon content variation, and the mechanism model of the supply rate of the two gases and molten iron temperature variation, this paper proposes an improved multivariable inference control system and uses expert control to realize the automatic adjustment of the filter time constant in the multivariable reasoning controller. The simulation results show that this method can ensure the stability of the control system without errors and maintain the furnace temperature below the maximum withstanding temperature, further improving the dynamic response of the system and effectively shortening the smelting time of the entire argon–oxygen refining ferrochromium alloy. It is beneficial for improving smelting efficiency and prolonging furnace service.
Electromagnetic parameter retrieval technique utilizing eigenvalue analysis and field averaging
Authors: Nitas Michalis , Yioultsis Traianos V.
Published: March 2022

In this paper, a fully numerical homogenization technique is presented for the retrieval of the effective constitutive parameters of a periodic composite medium. Based on the eigensolution returned by the utilized field-flux FEM formulation, a proper field averaging process of the field components is proposed over specific paths of the periodic unit cell of an arbitrary structure. Subsequently, the constitutive relations for every eigenmode supported by the medium are derived, forming a linear system of equations. The solution of this system returns a set of fifteen effective constitutive parameters, including the magnetoelectric coefficients, which account for possible cross-polarization effects, causing bianisotropy.