bluuebunny/crossref_metadata_2025 huggingface dataset:
Viscosity of Fe‐Ni‐C Liquids up to Core Pressures and Implications for Dynamics of Planetary Cores
Authors: Zhu Feng , Lai Xiaojing , Wang Jianwei , Williams Quentin , Liu Jiachao , Kono Yoshio , Chen Bin
Published: February 2022

The viscosity of iron alloy liquids is the key for the core dynamo and core‐mantle differentiation of terrestrial bodies. Here we measured the viscosity of Fe‐Ni‐C liquids up to 7 GPa using the floating sphere viscometry method and up to 330 GPa using first‐principles calculations. We found a viscosity increase at ∼3–5 GPa, coincident with a structural transition in the liquids. After the transition, the viscosity reaches ∼14–27 mPa·s, a factor of 2–4 higher than that of Fe and Fe‐S liquids. Our computational results from 5 to 330 GPa also indicate a high viscosity of the Fe‐Ni‐C liquids. For a carbon‐rich core in large terrestrial body, the level of turbulence in the outer core would be lessened approaching the inner core boundary. It is also anticipated that Fe‐Ni‐C liquids would percolate in Earth's deep silicate mantle at a much slower speed than Fe and Fe‐S liquids.
Ice Sheet Surface and Subsurface Melt Water Discrimination Using Multi‐Frequency Microwave Radiometry
Authors: Colliander Andreas , Mousavi Mohammad , Marshall Shawn , Samimi Samira , Kimball John S. , Miller Julie Z. , Johnson Joel , Burgin Mariko
Published: February 2022

For understanding englacial hydrology and its impact on ice sheet mass balance, observations of the liquid water content (LWC) within the ice sheets are needed. We combined 1.4–10.7 GHz passive microwave measurements with traditional 18.7–36.5 GHz measurements to detect subsurface LWC. In situ measurements from the DYE‐2 experiment site in Greenland and a modeled LWC at this site were used to calibrate and validate the method. Our analysis showed sensitivity of the lower microwave frequencies to LWC in surface and subsurface layers down to at least 2 m, enabling detection of seasonal subsurface LWC and its refreezing. A simplified retrieval detected a delayed refreezing of subsurface LWC following surface freezing, while also capturing total seasonal meltwater production. These advancements open the door to detection of subsurface meltwater and refreezing twice a day at pan‐Greenland scale, thereby enabling improved estimates of ice sheet contributions to global sea level rise.
Global Asymmetries of Hot Flow Anomalies
Authors: Lin Yu , Wang Xueyi , Sibeck David G. , Wang Chih‐Ping , Lee Sun‐Hee
Published: February 2022

A three‐dimensional global hybrid simulation is conducted for the interaction of the Earth's bow shock with an interplanetary directional tangential discontinuity (TD) whose normal lies in the equatorial plane. Although the convection electric field points into the TD from its trailing side both north and south of the equator, the interaction only generates a hot flow anomaly (HFA) in the southern hemisphere. HFA generation results from bow shock‐reflected ions energized by the inward‐pointing electric field on one side of the TD and inward ion gyration on the other side. The latter only occurs south of the equator due to the global bow shock geometry. The global HFA asymmetry is driven by a reversal in the north‐south component of reflected ion velocities in the two hemispheres, such that ions gyrate into (away from) the TD in the southern (northern) hemisphere. Our results indicate HFAs must generally exhibit north‐south and dawn‐dusk asymmetries.
Wetting Dynamics of Spontaneous Imbibition in Porous Media: From Pore Scale to Darcy Scale
Authors: Qin Chao‐Zhong , Wang Xin , Hefny Mahmoud , Zhao Jianlin , Chen Sidian , Guo Bo
Published: February 2022

Spontaneous imbibition plays an important role in many subsurface and industrial applications. Unveiling pore‐scale wetting dynamics, and particularly its upscaling to the Darcy model, are still unresolved. We conduct image‐based pore‐network modeling of cocurrent spontaneous imbibition and the corresponding quasi‐static imbibition in homogeneous sintered glass beads and heterogeneous Estaillades carbonate. We find that pore‐scale heterogeneity significantly influences entrapment of the nonwetting fluid, which in Estaillades is mainly because of the poor connectivity of pores. We show that wetting dynamics significantly deviates capillary pressure and relative permeability away from their quasi‐static counterparts. Moreover, we propose a nonequilibrium model for wetting permeability that well incorporates flow dynamics. We implement the nonequilibrium model into two‐phase Darcy modeling of a 10 cm long medium. Sharp wetting fronts are numerically predicted, which are in good agreement with experimental observations. Our studies provide insights into developing a two‐phase imbibition model with measurable material properties.
CMIP6 Simulations With the CMCC Earth System Model (CMCC‐ESM2)
Authors: Lovato T. , Peano D. , Butenschön M. , Materia S. , Iovino D. , Scoccimarro E. , Fogli P. G. , Cherchi A. , Bellucci A. , Gualdi S. , Masina S. , Navarra A.
Published: February 2022

This article introduces the second generation CMCC Earth System Model (CMCC‐ESM2) that extends a number of marine and terrestrial biogeochemical processes with respect to its CMIP5 predecessor. In particular, land biogeochemistry was extended to a wider set of carbon pools and plant functional types, along with a prognostic representation of the nitrogen cycle. The marine ecosystem representation was reshaped toward an intermediate complexity of lower trophic level interactions, including an interactive benthic compartment and a new formulation of heterotrophic bacterial population. Details are provided on the model setup and implementation for the different experiments performed as contribution to the sixth phase of the Coupled Model Intercomparison Project. CMCC‐ESM2 shows an equilibrium climate sensitivity of 3.57°C and a transient climate response of 1.97°C which are close to the CMIP5 and CMIP6 multi‐model averages. The evaluation of the coupled climate‐carbon response in the historical period against available observational datasets show a consistent representation of both physical and biogeochemical quantities. However, the land carbon sink is found to be weaker than the current global carbon estimates and the simulated marine primary production is slightly below the satellite‐based average over recent decades. Future projections coherently show a prominent global warming over the northern hemisphere with intensified precipitations at high latitudes. The expected ranges of variability for oceanic pH and oxygen, as well as land carbon and nitrogen soil storage, compare favorably with those assessed from other CMIP6 models.
Bidirectional River‐Floodplain Connectivity During Combined Pluvial‐Fluvial Events
Authors: Tull Nelson , Passalacqua Paola , Hassenruck‐Gudipati Hima J. , Rahman Shazzadur , Wright Kyle , Hariharan Jayaram , Mohrig David
Published: February 2022

Hydrologic connectivity controls the lateral exchange of water, solids, and solutes between rivers and floodplains, and is critical to ecosystem function, water treatment, flood attenuation, and geomorphic processes. This connectivity has been well‐studied, typically through the lens of fluvial flooding. In regions prone to heavy rainfall, the timing and magnitude of lateral exchange may be altered by pluvial flooding on the floodplain. We collected measurements of flow depth and velocity in the Trinity River floodplain in coastal Texas (USA) during Tropical Storm Imelda (2019), which produced up to 75 cm of rainfall locally. We developed a two‐dimensional hydrodynamic model at high resolution for a section of the Trinity River floodplain inspired by the compound flooding of Imelda. We then employed Lagrangian particle routing to quantify how residence times and particle velocities changed as flooding shifted from rainfall‐driven to river‐driven. Results show that heavy rainfall initiated lateral exchange before river discharge reached flood levels. The presence of rainwater also reduced floodplain storage, causing river water to be confined to a narrow corridor on the floodplain, while rainwater residence times were increased from the effect of high river flow. Finally, we analyzed the role of floodplain channels in facilitating surface‐water connectivity by varying model resolution in the floodplain. While the resolution of floodplain channels was important locally, it did not affect as much the overall floodplain behavior. This study demonstrates the complexity of floodplain hydrodynamics under conditions of heavy rainfall, with implications for sediment deposition and nutrient removal during floods.
Structure of infective Getah virus at 2.8 Å resolution determined by cryo-electron microscopy
Authors: Wang Aojie , Zhou Feng , Liu Congcong , Gao Dongsheng , Qi Ruxi , Yin Yiheng , Liu Sheng , Gao Yuanzhu , Fu Lutang , Xia Yinhe , Xu Yawei , Wang Chuanqing , Liu Zheng
Published: February 2022

Getah virus (GETV), a member of the genus alphavirus, is a mosquito-borne pathogen that can cause pyrexia and reproductive losses in animals. Although antibodies to GETV have been found in over 10% of healthy people, there are no reports of clinical symptoms associated with GETV. The biological and pathological properties of GETV are largely unknown and antiviral or vaccine treatments against GETV are still unavailable due to a lack of knowledge of the structure of the GETV virion. Here, we present the structure of infective GETV at a resolution of 2.8 Å with the atomic models of the capsid protein and the envelope glycoproteins E1 and E2. We have identified numerous glycosylation and S-acylation sites in E1 and E2. The surface-exposed glycans indicate a possible impact on viral immune evasion and host cell invasion. The S-acylation sites might be involved in stabilizing the transmembrane assembly of E1 and E2. In addition, a cholesterol and a phospholipid molecule are observed in a transmembrane hydrophobic pocket, together with two more cholesterols surrounding the pocket. The cholesterol and phospholipid stabilize the hydrophobic pocket in the viral envelope membrane. The structural information will assist structure-based antiviral and vaccine screening, design, and optimization.
Allosteric control of Ubp6 and the proteasome via a bidirectional switch
Authors: Hung Ka Ying Sharon , Klumpe Sven , Eisele Markus R. , Elsasser Suzanne , Tian Geng , Sun Shuangwu , Moroco Jamie A. , Cheng Tat Cheung , Joshi Tapan , Seibel Timo , Van Dalen Duco , Feng Xin-Hua , Lu Ying , Ovaa Huib , Engen John R. , Lee Byung-Hoon , Rudack Till , Sakata Eri , Finley Daniel
Published: February 2022

The proteasome recognizes ubiquitinated proteins and can also edit ubiquitin marks, allowing substrates to be rejected based on ubiquitin chain topology. In yeast, editing is mediated by deubiquitinating enzyme Ubp6. The proteasome activates Ubp6, whereas Ubp6 inhibits the proteasome through deubiquitination and a noncatalytic effect. Here, we report cryo-EM structures of the proteasome bound to Ubp6, based on which we identify mutants in Ubp6 and proteasome subunit Rpt1 that abrogate Ubp6 activation. The Ubp6 mutations define a conserved region that we term the ILR element. The ILR is found within the BL1 loop, which obstructs the catalytic groove in free Ubp6. Rpt1-ILR interaction opens the groove by rearranging not only BL1 but also a previously undescribed network of three interconnected active-site-blocking loops. Ubp6 activation and noncatalytic proteasome inhibition are linked in that they are eliminated by the same mutations. Ubp6 and ubiquitin together drive proteasomes into a unique conformation associated with proteasome inhibition. Thus, a multicomponent allosteric switch exerts simultaneous control over both Ubp6 and the proteasome.
Analysis of vibronic coupling in a 4f molecular magnet with FIRMS
Authors: Kragskow Jon G. C. , Marbey Jonathan , Buch Christian D. , Nehrkorn Joscha , Ozerov Mykhaylo , Piligkos Stergios , Hill Stephen , Chilton Nicholas F.
Published: February 2022

Vibronic coupling, the interaction between molecular vibrations and electronic states, is a fundamental effect that profoundly affects chemical processes. In the case of molecular magnetic materials, vibronic, or spin-phonon, coupling leads to magnetic relaxation, which equates to loss of magnetic memory and loss of phase coherence in molecular magnets and qubits, respectively. The study of vibronic coupling is challenging, and most experimental evidence is indirect. Here we employ far-infrared magnetospectroscopy to directly probe vibronic transitions in [Yb(trensal)] (where H3trensal = 2,2,2-tris(salicylideneimino)trimethylamine). We find intense signals near electronic states, which we show arise due to an “envelope effect” in the vibronic coupling Hamiltonian, which we calculate fully ab initio to simulate the spectra. We subsequently show that vibronic coupling is strongest for vibrational modes that simultaneously distort the first coordination sphere and break the C3 symmetry of the molecule. With this knowledge, vibrational modes could be identified and engineered to shift their energy towards or away from particular electronic states to alter their impact. Hence, these findings provide new insights towards developing general guidelines for the control of vibronic coupling in molecules.
Decoding reactive structures in dilute alloy catalysts
Authors: Marcella Nicholas , Lim Jin Soo , Płonka Anna M. , Yan George , Owen Cameron J. , van der Hoeven Jessi E. S. , Foucher Alexandre C. , Ngan Hio Tong , Torrisi Steven B. , Marinkovic Nebojsa S. , Stach Eric A. , Weaver Jason F. , Aizenberg Joanna , Sautet Philippe , Kozinsky Boris , Frenkel Anatoly I.
Published: February 2022

Rational catalyst design is crucial toward achieving more energy-efficient and sustainable catalytic processes. Understanding and modeling catalytic reaction pathways and kinetics require atomic level knowledge of the active sites. These structures often change dynamically during reactions and are difficult to decipher. A prototypical example is the hydrogen-deuterium exchange reaction catalyzed by dilute Pd-in-Au alloy nanoparticles. From a combination of catalytic activity measurements, machine learning-enabled spectroscopic analysis, and first-principles based kinetic modeling, we demonstrate that the active species are surface Pd ensembles containing only a few (from 1 to 3) Pd atoms. These species simultaneously explain the observed X-ray spectra and equate the experimental and theoretical values of the apparent activation energy. Remarkably, we find that the catalytic activity can be tuned on demand by controlling the size of the Pd ensembles through catalyst pretreatment. Our data-driven multimodal approach enables decoding of reactive structures in complex and dynamic alloy catalysts.
Single-cell RNA sequencing reveals time- and sex-specific responses of mouse spinal cord microglia to peripheral nerve injury and links ApoE to chronic pain
Authors: Tansley Shannon , Uttam Sonali , Ureña Guzmán Alba , Yaqubi Moein , Pacis Alain , Parisien Marc , Deamond Haley , Wong Calvin , Rabau Oded , Brown Nicole , Haglund Lisbet , Ouellet Jean , Santaguida Carlo , Ribeiro-da-Silva Alfredo , Tahmasebi Soroush , Prager-Khoutorsky Masha , Ragoussis Jiannis , Zhang Ji , Salter Michael W. , Diatchenko Luda , Healy Luke M. , Mogil Jeffrey S. , Khoutorsky Arkady
Published: February 2022

Activation of microglia in the spinal cord following peripheral nerve injury is critical for the development of long-lasting pain hypersensitivity. However, it remains unclear whether distinct microglia subpopulations or states contribute to different stages of pain development and maintenance. Using single-cell RNA-sequencing, we show that peripheral nerve injury induces the generation of a male-specific inflammatory microglia subtype, and demonstrate increased proliferation of microglia in male as compared to female mice. We also show time- and sex-specific transcriptional changes in different microglial subpopulations following peripheral nerve injury. Apolipoprotein E (Apoe) is the top upregulated gene in spinal cord microglia at chronic time points after peripheral nerve injury in mice. Furthermore, polymorphisms in the APOE gene in humans are associated with chronic pain. Single-cell RNA sequencing analysis of human spinal cord microglia reveals a subpopulation with a disease-related transcriptional signature. Our data provide a detailed analysis of transcriptional states of mouse and human spinal cord microglia, and identify a link between ApoE and chronic pain in humans.
High content screening and proteomic analysis identify a kinase inhibitor that rescues pathological phenotypes in a patient-derived model of Parkinson’s disease
Authors: Antoniou Nasia , Prodromidou Kanella , Kouroupi Georgia , Boumpoureka Ioanna , Samiotaki Martina , Panayotou George , Xilouri Maria , Kloukina Ismini , Stefanis Leonidas , Grailhe Regis , Taoufik Era , Matsas Rebecca
Published: February 2022

Combining high throughput screening approaches with induced pluripotent stem cell (iPSC)-based disease modeling represents a promising unbiased strategy to identify therapies for neurodegenerative disorders. Here we applied high content imaging on iPSC-derived neurons from patients with familial Parkinson’s disease bearing the G209A (p.A53T) α-synuclein (αSyn) mutation and launched a screening campaign on a small kinase inhibitor library. We thus identified the multi-kinase inhibitor BX795 that at a single dose effectively restores disease-associated neurodegenerative phenotypes. Proteomics profiling mapped the molecular pathways underlying the protective effects of BX795, comprising a cohort of 118 protein-mediators of the core biological processes of RNA metabolism, protein synthesis, modification and clearance, and stress response, all linked to the mTORC1 signaling hub. In agreement, expression of human p.A53T-αSyn in neuronal cells affected key components of the mTORC1 pathway resulting in aberrant protein synthesis that was restored in the presence of BX795 with concurrent facilitation of autophagy. Taken together, we have identified a promising small molecule with neuroprotective actions as candidate therapeutic for PD and other protein conformational disorders.
Dual-comb cavity ring-down spectroscopy
Authors: Lisak Daniel , Charczun Dominik , Nishiyama Akiko , Voumard Thibault , Wildi Thibault , Kowzan Grzegorz , Brasch Victor , Herr Tobias , Fleisher Adam J. , Hodges Joseph T. , Ciuryło Roman , Cygan Agata , Masłowski Piotr
Published: February 2022

Cavity ring-down spectroscopy is a ubiquitous optical method used to study light-matter interactions with high resolution, sensitivity and accuracy. However, it has never been performed with the multiplexing advantages of direct frequency comb spectroscopy without significantly compromising spectral resolution. We present dual-comb cavity ring-down spectroscopy (DC-CRDS) based on the parallel heterodyne detection of ring-down signals with a local oscillator comb to yield absorption and dispersion spectra. These spectra are obtained from widths and positions of cavity modes. We present two approaches which leverage the dynamic cavity response to coherently or randomly driven changes in the amplitude or frequency of the probe field. Both techniques yield accurate spectra of methane—an important greenhouse gas and breath biomarker. When combined with broadband frequency combs, the high sensitivity, spectral resolution and accuracy of our DC-CRDS technique shows promise for applications like studies of the structure and dynamics of large molecules, multispecies trace gas detection and isotopic composition.
Immediate voluntary activation deficits following submaximal eccentric contractions of knee extensors are associated with alterations of the sense of movement
Authors: Da Silva Flavio , Colson Serge S. , Zghal Firas , Chorin Frédéric , Guérin Olivier , Monjo Florian
Published: February 2022

The mechanisms underlying movement sense alterations following repeated eccentric contractions remain unclear. This study concomitantly investigated the effects of unilateral eccentric contractions on movement sense and on neuromuscular function at the knee before, immediately after (POST), 24 (POST24) and 48 (POST48) h after the exercise. Twelve participants performed sets of submaximal knee extensors (KE) eccentric contractions until a 20% decrease in maximal voluntary isometric contraction (MVIC) torque was reached. Threshold to detect passive movement (TTDPM) tasks were used to assess movement sense during both knee flexion (TTDPMFLEX) and extension (TTDPMEXT). KE fatigability was assessed using the interpolated twitch technique. TTDPM values expressed in seconds and the percentage of unsuccessful trials only increased at POST during TTDPMFLEX and TTDPMEXT. The 20%-MVIC decrease was associated with significant decreases in voluntary activation level (− 12.7%, p < 0.01) and potentiated doublet torque at 100 Hz (− 18.1%, p < 0.001). At POST24, despite persistent reductions of maximal voluntary and electrically evoked torques associated with increased perceived muscle soreness, TTDPM values and the percentage of unsuccessful trials returned to baseline values. Consequently, movement sense alterations were only observed in the presence of voluntary activation deficits, suggesting that some exercise-induced central alterations may affect the somatosensory function.
RYBP regulates Pax6 during in vitro neural differentiation of mouse embryonic stem cells
Authors: Sutus Enikő , Henry Surya , Adorján Lili , Kovács Gergő , Pirity Melinda Katalin
Published: February 2022

We have previously reported that RING1 and YY1 binding protein (RYBP) is important for central nervous system development in mice and that Rybp null mutant (Rybp−/−) mouse embryonic stem (ES) cells form more progenitors and less terminally differentiated neural cells than the wild type cells in vitro. Accelerated progenitor formation coincided with a high level of Pax6 expression in the Rybp−/− neural cultures. Since Pax6 is a retinoic acid (RA) inducible gene, we have analyzed whether altered RA signaling contributes to the accelerated progenitor formation and impaired differentiation ability of the Rybp−/− cells. Results suggested that elevated Pax6 expression was driven by the increased activity of the RA signaling pathway in the Rybp−/− neural cultures. RYBP was able to repress Pax6 through its P1 promoter. The repression was further attenuated when RING1, a core member of ncPRC1s was also present. According to this, RYBP and PAX6 were rarely localized in the same wild type cells during in vitro neural differentiation. These results suggest polycomb dependent regulation of Pax6 by RYBP during in vitro neural differentiation. Our results thus provide novel insights on the dynamic regulation of Pax6 and RA signaling by RYBP during mouse neural development.
ASCL1 phosphorylation and ID2 upregulation are roadblocks to glioblastoma stem cell differentiation
Authors: Azzarelli Roberta , McNally Aoibheann , Dell’Amico Claudia , Onorati Marco , Simons Benjamin , Philpott Anna
Published: February 2022

The growth of glioblastoma (GBM), one of the deadliest adult cancers, is fuelled by a subpopulation of stem/progenitor cells, which are thought to be the source of resistance and relapse after treatment. Re-engagement of a latent capacity of these cells to re-enter a trajectory resulting in cell differentiation is a potential new therapeutic approach for this devastating disease. ASCL1, a proneural transcription factor, plays a key role in normal brain development and is also expressed in a subset of GBM cells, but fails to engage a full differentiation programme in this context. Here, we investigated the barriers to ASCL1-driven differentiation in GBM stem cells. We see that ASCL1 is highly phosphorylated in GBM stem cells where its expression is compatible with cell proliferation. However, overexpression of a form of ASCL1 that cannot be phosphorylated on Serine–Proline sites drives GBM cells down a neuronal lineage and out of cell cycle more efficiently than its wild-type counterpart, an effect further enhanced by deletion of the inhibitor of differentiation ID2, indicating mechanisms to reverse the block to GBM cell differentiation.
Formation and function of OmpG or OmpA-incorporated liposomes using an in vitro translation system
Authors: Kamiya Koki
Published: February 2022

Outer membrane proteins (OMPs), located on the outer membrane of gram-negative bacteria, have a β-strand structure and form nanopores, which allow passage of ions, sugars, and small molecules. Recently, OMPs have been used as sensing elements to detect biological molecules. OMPs are normally expressed and purified from Escherichia coli (E. coli). Although the cell-free synthesis of OMPs, such as OmpA and OmpG, is achieved in the presence of liposomes and periplasmic chaperones, the amount of OmpA and OmpG incorporated into the nano-sized liposomes is not clear. In this study, after in vitro translation, the incorporation of OmpG into purified nano-sized liposomes with various lipid compositions was investigated. Liposomes containing the synthesized OmpG were purified using a stepwise sucrose density gradient. We report that liposomes prepared with the E. coli lipid extract (PE/PG) had the highest amount of OmpG incorporated compared to liposomes with other lipid compositions, as detected by recording the current across the OmpG containing liposomes using the patch clamp technique. This study reveals some of the requirements for the insertion and refolding of OMPs synthesized by the in vitro translation system into lipid membranes, which plays a role in the biological sensing of various molecules.
A disintegrin derivative as a case study for PHIP labeling of disulfide bridged biomolecules
Authors: Fleckenstein Max , Herr Kevin , Theiß Franziska , Knecht Stephan , Wienands Laura , Brodrecht Martin , Reggelin Michael , Buntkowsky Gerd
Published: February 2022

A specific labeling strategy for bioactive molecules is presented for eptifibatide (integrilin) an antiplatelet aggregation inhibitor, which derives from the disintegrin protein barbourin in the venom of certain rattlesnakes. By specifically labeling the disulfide bridge this molecule becomes accessible for the nuclear spin hyperpolarization method of parahydrogen induced polarization (PHIP). The PHIP-label was synthesized and inserted into the disulfide bridge of eptifibatide via reduction of the peptide and insertion by a double Michael addition under physiological conditions. This procedure is universally applicable for disulfide-containing biomolecules and preserves their tertiary structure with a minimum of change. HPLC and MS spectra prove the successful insertion of the label.1H-PHIP-NMR experiments yield a factor of over 1000 as lower limit for the enhancement factor. These results demonstrate the high potential of the labeling strategy for the introduction of site selective PHIP-labels into biomolecules’ disulfide bonds.
Quality of life score as a prognosticator for pharyngeal cancer patients treated with radiotherapy
Authors: Ishiyama Hiromichi , Kawakami Shogo , Sekiguchi Akane , Kainuma Takuro , Miyamoto Shunsuke , Yamashita Taku , Nakano Masahiro
Published: February 2022

The purpose of this study was to evaluate the prognostic value of quality of life (QOL) scores acquired not only pre-treatment, but also 1 month after treatment for locoregional control (LRC), distant metastasis-free survival (DMFS), and overall survival (OS) in patients with pharyngeal cancer treated using radiotherapy. Data for 102 patients with naso-, oro-, or hypo-pharyngeal cancer treated between December 2008 and September 2017 were retrospectively analyzed. About 90% of the patients were male. The European Organization for Research and Treatment of Cancer (EORTC) Quality of Life Questionnaire (QLQ-C30) was used for QOL assessments. Associations between QLQ-C30 scores before and 1 month after treatment and outcomes including LRC, DMFS, and OS were analyzed using Cox proportional hazard models. Median follow-up was 37 months (range, 5–117 months). Three-year LRC, DMFS, and OS rates were 77.8%, 60.0%, and 66.5%, respectively. Pre-treatment emotional functioning and diarrhea at 1 month after treatment were identified as significant predictors of LRC. Pre-treatment global QOL and diarrhea at 1 month after treatment were detected as significant predictors of DMFS. Pre-treatment emotional functioning, pre-treatment appetite loss, and diarrhea at 1 month after treatment were detected as significant predictors of OS. Diarrhea at 1 month after treatment was the most powerful QOL variable for predicting LRC, DMFS and OS. Our study revealed that several QOL scores not only before treatment but also 1 month after treatment correlated with LRC, DMFS and OS. In particular, the diarrhea domain of QOL at 1 month after treatment offered the most powerful prognosticator for pharyngeal cancer patients treated with radiotherapy.
Putative variants, genetic diversity and population structure among Soybean cultivars bred at different ages in Huang-Huai-Hai region
Authors: Liu Jialin , Xie Huimin , Lin Ting , Tie Congxiao , Luo Huolin , Yang Boyun , Xiong Dongjin
Published: February 2022

Soybean cultivars bred in the Huang-Huai-Hai region (HR) are rich in pedigree information. To date, few reports have exposed the genetic variants, population structure and genetic diversity of cultivars in this region by making use of genome-wide resequencing data. To depict genetic variation, population structure and composition characteristics of genetic diversity, a sample of soybean population composed all by cultivars was constructed. We re-sequenced 181 soybean cultivar genomes with an average depth of 10.38×. In total, 11,185,589 single nucleotide polymorphisms (SNPs) and 2,520,208 insertion-deletions (InDels) were identified on all 20 chromosomes. A considerable number of putative variants existed in important genome regions that may have an incalculable influence on genes, which participated in momentous biological processes. All 181 varieties were divided into five subpopulations according to their breeding years, SA (1963–1980), SB (1983–1988), SC (1991–2000), SD (2001–2011), SE (2012–2017). PCA and population structure figured out that there was no obvious grouping trend. The LD semi-decay distances of sub-population D and E were 182 kb, and 227 kb, respectively. Sub-population A (SA) had the highest value of nucleotide polymorphism (π). With the passage of time, the nucleotide polymorphism of SB and SC decreased gradually, however that of SD and SE, opposite to SB and SC, gave a rapid up-climbing trend, which meant a sharp increase in genetic diversity during the latest 20 years, hinting that breeders may have different breeding goals in different breeding periods in HR. Analysis of the PIC statistics exhibited very similar results with π. The current study is to analyze the genetic variants and characterize the structure and genetic diversity of soybean cultivars bred in different decades in HR, and to provide a theoretical reference for other identical studies.
Single-particle spectroscopic investigation on the scattering spectrum of Au@MoS2 core–shell nanosphere heterostructure
Authors: You Jian , Xie Hao , Yang Yanhe , Ni Weihai , Ye Weixiang
Published: February 2022

QSA theory can predict scattering spectra of Au@MoS2 core−shell nanoparticles. The A and B exciton absorption peaks do not rely on the local refractive index change while the particle plasmon resonance position does, which is a helpful internal reference against defocusing.
Stepwise synthesis and catalysis in C–S cross-coupling of pyridine-functionalized N-heterocyclic carbene nickel(ii) complexes by mechanochemistry
Authors: Cui Xiaoxiao , Hao Xiujia , Guo Fang
Published: February 2022

A mechanochemical technique provided a stepwise synthesis of three nickel complexes and the subsequent mechanical catalysis of C–S cross-coupling, making the whole research system green and sustainable.
Creation of a rigid host framework with optimum crystal structure and interface for zero-strain K-ion storage
Authors: Zhu Yun-Hai , Wang Jia-Zhi , Zhang Qi , Cui Yang-Feng , Huang Gang , Yan Jun-Min , Zhang Xin-Bo
Published: February 2022

Crystal engineering coupled with in situ interface engineering built a robust host for large K-ion storage, enabling a long cycle life of nearly 10 000 cycles without obvious capacity degradation.
Formation pathways of aldehydes from heated cooking oils
Authors: Takhar Manpreet , Li Yunchun , Ditto Jenna C. , Chan Arthur W. H.
Published: February 2022

We studied the mechanisms of cooking oil decomposition that lead to emission of aldehydes, an important group of air pollutants, from food cooking.
When chicken manure compost meets iron nanoparticles: an implication for the remediation of chlorophenothane-polluted riverine sediment
Authors: Song Biao , Yin Zhuo , Almatrafi Eydhah , Sang Fan , Shen Maocai , Xiong Weiping , Zhou Chengyun , Liu Yang , Zeng Guangming , Gong Jilai
Published: February 2022

The addition of nZVI could improve the degradation efficiency for chlorophenothane using chicken manure compost, while the compost mitigated the negative effect of nZVI on the bacterial community structure in sediment.
Redox-triggered dearomative [5 + 1] annulation of indoles with O-alkyl ortho-oxybenzaldehydes for the synthesis of spirochromanes
Authors: Cao Lianyi , Hu Fangzhi , Sun Hongmei , Zhang Xiaomei , Li Shuai-Shuai
Published: February 2022

The dearomative [5 + 1] annulation of 2-methylindoles with new five-membered synthon was developed through cascade [1,5]-hydride transfer/dearomative cyclization in HFIP for the synthesis of spirochromanes bearing the 2-methylindolenine skeleton.
Temperature controlled di- and monosulfonylation of propargyl alcohols with sodium sulfinates: switchable access to (E)-allyl, vinyldisulfones and propargyl sulfones
Authors: Liu Chang-Qing , Li Hang , Wang Bo , Guo Zi-Yi , Wang Yu , Zhang Ji-Tan , Xie Mei-Hua
Published: February 2022

A switchable di- and monosulfonylation of propargyl alcohols with sodium sulfinates is developed.
Probing the dynamics of turbid colloidal suspensions using differential dynamic microscopy
Authors: Nixon-Luke Reece , Arlt Jochen , Poon Wilson C. K. , Bryant Gary , Martinez Vincent A.
Published: February 2022

We show that Differential Dynamic Microscopy can reliably measure the dynamics of colloidal suspensions over a wide range of turbidities, identify an additional short-time process and explore the role of the four relevant experimental length scales.
Maximizing phonon scattering efficiency by Cu2Se alloying in AgCuTe thermoelectric materials
Authors: Li Lanwei , Zhai Wenya , Wang Chao , Chen Yanqun , Li Shuyao , Fan Pengya , Cheng Zhenxiang , Yang Gui , Wang Jianli , Mao Yanli
Published: February 2022

Multi-layered nanostructures obtained by Cu2Se achieve extremely low thermal conductivity in AgCuTe.
Ultralight, highly compressible, thermally stable MXene/aramid nanofiber anisotropic aerogels for electromagnetic interference shielding
Authors: Du Yiqian , Xu Jian , Fang Jiangyu , Zhang Yantai , Liu Xiaoyun , Zuo Peiyuan , Zhuang Qixin
Published: February 2022

Due to the high conductivity of the anisotropic structure, the aerogel achieves excellent shielding properties. Meanwhile, the aerogel has high compressibility and excellent thermal stability, which greatly enriches the application scenarios of this shielding device.
Iterative synthesis of nitrogen-containing polyketide via oxime intermediates
Authors: Takeuchi Yuta , Kawasaki Shun , Akagawa Kengo , Kudo Kazuaki
Published: February 2022

An iterative synthesis of nitrogen-containing polyketides has been developed. Structurally diverse polyketides with nitrogen functional groups were obtained by the uniform protocol.
Aggregation caused quenching to aggregation induced emission transformation: a precise tuning based on BN-doped polycyclic aromatic hydrocarbons toward subcellular organelle specific imaging
Authors: Huang Huanan , Liu Lingxiu , Wang Jianguo , Zhou Ying , Hu Huanan , Ye Xinglin , Liu Guochang , Xu Zhixiong , Xu Han , Yang Wen , Wang Yawei , Peng You , Yang Pinghua , Sun Jianqi , Yan Ping , Cao Xiaohua , Tang Ben Zhong
Published: February 2022

A one-stone-two-birds strategy including simultaneous exploration of reactivity and tuning of the optical and electronic properties for BN-fused polycyclic aromatics through flexible regioselective functionalization engineering is presented.
The role of the molecular weight of the adsorbed layer on a substrate in the suppressed dynamics of supported thin polystyrene films
Authors: Ren Weizhao , Wang Xin , Shi Jiahui , Xu Jianquan , Taneda Hidenobu , Yamada Norifumi L. , Kawaguchi Daisuke , Tanaka Keiji , Wang Xinping
Published: February 2022

The molecular weight of the adsorbed layer on a substrate affects the suppressed dynamics of supported thin polystyrene films.
Deep learning‐based substation remote construction management and AI automatic violation detection system
Authors: Yan Kai , Li Quanjing , Li Hao , Wang Haifeng , Fang Yuping , Xing Lin , Yang Yang , Bai Haicheng , Zhou Chengjiang
Published: February 2022

Workplace video surveillance and timely response to operational violations are critical to avoid operator injuries at power construction sites. Here, a system that combines remote substation construction management and artificial intelligence object detection techniques to intellectualize the power construction management process and identify violations during construction in real time is proposed. To improve the detection accuracy, a data augmentation method, including three operations: (1) object segmentation and background fusion; (2) partial erasing; and (3) other basic transformations, is also proposed. Six variants of the You Only Look Once (YOLO) model are trained as detectors for comparative experiments on a dataset collected at the practical construction site. The experimental results show that the detection precision and recall of the YOLOv5‐s model are 0.852 and 0.922, with high accuracy and low miss rate, which meet the requirements of robustness and accuracy in detecting realistic power construction violations.
Evaluation of the turn‐off transient controllability for high‐power IGBT modules
Authors: Tan Kun , Ji Bing , Wang Jun , Deng Wenjuan , Li Daohui , Wang Zhiqiang , Liu Zheng , Cao Wenping
Published: February 2022

The efficient and flexible conversion of electrical energy is increasingly accomplished by megawatt insulated gate bipolar transistor (IGBT) modules. Their dynamic performance is influenced by the gate driver control, operating points and the switching loop parasitics, which are crucial to their optimized operational behaviours, efficiency and field reliability. This paper investigates the controllability of the transient voltage and current slopes of megawatt IGBT modules during their turn‐off transitions and proposes an efficient assessment method accordingly. Firstly, the causal relationship of transient characteristic variations and controllability is investigated analytically. Then, major factors impacting the controllability are analysed and validated, including the charge carrier profile, the operating points (i.e. the load voltage, the load current, and the junction temperature), and the gate resistance. Finally, an efficient method using the MOS‐channel turn‐off point on calibrated gate voltage waveform is proposed for the controllability evaluation, which can guide the IGBT, gate driver, and converter design.
An adaptive non‐searching method for long‐time coherent integration of manoeuvring target with multiple motion models
Authors: Zhao Jia , Chen Yan , Cheng Jiayu
Published: February 2022

Long‐time coherent integration (LTCI) is one of the effective methods to enhance the radar detection capability of manoeuvring targets. In most existing studies, the target is assumed to move at a consistent model during the total integration time. In modern times, this point is not always true. The modern targets often possess strong manoeuvring penetration capability, which enables the presence of multiple motion models (i.e. the target's motion model is changing during the total integration time) with a high possibility, especially when the coherent integration time is long. This factor would reduce the performance of the existing LTCI methods. In this study, an adaptive non‐searching method, based on the adjacent cross correlation function (ACCF)/modified ACCF (MACCF), Keystone transform (KT)/second‐order KT, Hough transform and fractional Fourier transform, is proposed for LTCI of a manoeuvring target with multiple motion models. First, the motion model change points are identified. Subsequently, the adaptive case prejudgement and parameters estimation for different motion stages are completed. Finally, the LTCI of the manoeuvring target with multiple motion models is realised after motion compensation. Simulation results demonstrate the effectiveness of the proposed method.
Dust scattering halo around the CCO in HESS J1731–347: A detailed analysis
Authors: Landstorfer A. , Doroshenko V. , Pühlhofer G.
Published: February 2022

The supernova remnant (SNR) HESS J1731−347 is one of the few objects exhibiting emission up to the TeV energy band and it stands as a prime target for the study of cosmic ray acceleration in SNRs. It also hosts a central compact object (CCO), which is of interest in the context of the ultra-dense matter equation of state in neutron stars. For both types of studies, however, the parameters of the respective models depend crucially on the assumed distance to the object and are affected to a certain extent by the assumed interstellar medium (ISM) properties around the SNR. Here, we report on the first quantitative analysis of the properties of the compact X-ray dust scattering halo that is assumed to be present around the CCO based on Chandra observations of the source. Our findings unambiguously confirm the presence of a compact halo around the CCO, and we show that the observed halo properties are consistent with expectations from independent measurements of the dust distribution along the line of sight and the distance to the source. Although we were not able to significantly improve those constraints, our results are important for future studies of the CCO itself. Indeed, the halo contribution is expected to affect the X-ray spectrum and the derived parameters of the neutron star when observed with moderate angular resolutions. Our results, which offer a quantitative characterization of the halo properties, will be useful in accounting for this effect.
Diffuse GeV emission in the field of HESS J1912+101 revisited
Authors: Sun Xiao-Na , Yang Rui-Zhi , Liang En-Wei
Published: February 2022

We have analyzed 12 years of Fermi Large Area Telescope data toward the HESS J1912+101 region. With the latest source catalog and diffuse background models, a γ-ray excess is detected with a significance of ~8σ in the energy range of above 10 GeV. It has been argued that the diffuse GeV emission in the vicinity of HESS J1912+101 are from an extended pulsar wind nebula powered by PSR J1913+1011 and also that the hard GeV emission above 10 GeV stems from the shell-type supernova remnant and is connected with the TeV emissions. Different from previous works, our analysis indicates that the H2 spatial template is preferred over the other spatial templates, suggesting that the diffuse emission component spatially correlates with the dense molecular gas. This spatial correlation favors a hadronic emission scenario, although a leptonic origin cannot be ruled out. In the hadronic scenario, the parent proton spectrum can be described by a power-law function with an index of α = 2.36 ± 0.16. Above 50 GeV, there is no emission, and the upper limits reveal a spectral cutoff or break in the parent proton spectrum that can be explained as propagation effects of cosmic rays. We argue that the parent protons may come from the candidate supernova remnant HESS J1912+101 or the young massive star cluster Mc20.
Claudine Hermann, physicienne de talent et militante infatigable
Authors: van der Beek Kees , Weisbuch Claude , Chandesris Dominique
Published: February 2022

Claudine Hermann est décédée le 17 juillet 2021, à l’âge de 75 ans. Première professeure à l’École polytechnique en 1992, ses contributions à la physique, à la communauté, à la société et à la cause des femmes sont immenses. Sa disparition laisse un grand vide et une profonde tristesse au coeur de ceux et celles qui l’ont connue.
Early Biochemical Markers in Predicting the Clinical Outcome of COVID-19 Patients Admitted in Tertiary Care Hospital
Authors: Prasad Shrishtidhar , Patel Suprava , Behera Ajoy Kumar , Gitismita Naik , Shah Seema , Nanda Rachita , Mohapatra Eli
Published: February 2022

Introduction An array of routinely accessible serum biomarkers was assessed to explore their overall impact on severity and mortality in coronavirus disease 2019.

Materials and Methods A retrospective analysis of 1,233 adults was conducted. The study groups comprised 127 nonsurvivors and 1,106 survivors. Data for demographic details, clinical presentations, and laboratory reports were recorded from the medical record section. The predictors were analyzed for their influence on mortality.

Results The mean (+ standard deviation) age of the patients in the nonsurvivor group was 58.8 (13.8) years. The mean age (56.4 years) was highest in severe grade patients. The odds ratio for death was 2.72 times for patients above the age of 40 years. About 46% of nonsurvivors died within 5 days of admission. Males were found to be more prone to death than females by a factor of 1.36. Serum urea depicted highest sensitivity (85%) for nonsurvival at 52.5 mg/dL. Serum albumin (3.23 g/dL), albumin-to-globulin ratio (0.97), and C-reactive protein-to albumin ratio (CAR) (2.08) showed a sensitivity of more than 70% for mortality outcomes. The high hazard ratio (HR) for deceased patients with hyperkalemia was 2.419 (95% confidence interval [CI] = 1.96–2.99; p < 0.001). The risk for nonsurvival was increased with elevated serum creatinine by 15.6% and uric acid by 21.7% (p < 0.001). The HR for hypoalbuminemia was 0.254 (95% CI: 0.196–0.33; p < 0.001) and CAR was 1.319 (95% CI: 1.246–1.397; p < 0.001). Saturation of oxygen (p < 0.001), lactate dehydrogenase (p = 0.006), ferritin (p = 0.004), hyperuricemia (p = 0.027), hyperkalemia (p < 0.001), hypoalbuminemia (p = 0.002), and high CAR values (0.031) served as potential predictors for mortality.

Conclusion Adjusting for all the predictor variables, serum uric acid, potassium, albumin, and CAR values at the time of admission were affirmed as the potential biomarkers for mortality.
Transition of natural convection of liquid metal in an annular enclosure
Authors: Masuda Takuya , Tagawa Toshio
Published: February 2022

Natural convection of a low-Prandtl-number fluid in an annular enclosure with a square cross section and radius ratio of the annulus of 0.5 is numerically studied using a finite-difference method in the cylindrical coordinate system. The fluid in the annular enclosure is heated from an inner vertical wall and cooled from an opposing vertical outer wall, both isothermally, whereas the two horizontal walls are adiabatic. Characteristics of the present natural convection are investigated in detail, with one of the annular computational domains divided into several equal parts. Three-dimensional (3D) regular oscillatory flow appears for a range of Rayleigh numbers when the computational domain angle is set to 90° or less. It is revealed that both the average Nusselt number and kinetic energy obtained from 3D flow are smaller than those obtained from a two-dimensional (2D) computation for the same Rayleigh number. When considered for an annular domain divided into 20 equal parts, flow transition of natural convection occurs gradually on the order of 2D steady, 3D regular steady, 3D regular oscillatory, and 3D irregular oscillatory flows, as the Rayleigh number increases. Most of the 3D regular oscillatory flows exhibit half-period symmetry in time and space. Both steady and oscillatory disturbance components coexist during the growing process from an initial state. In a fully developed stage of the 3D steady flow, only the steady disturbance component survives, whereas in that of the 3D regular half-symmetric oscillatory flow, only the oscillatory disturbance component survives.