bluuebunny/crossref_metadata_2025 huggingface dataset:
Energy transfer between the nicotinamide nucleotide transhydrogenase and ATP synthase of Escherichia coli
Authors: Graf Simone Sandra , Hong Sangjin , Müller Philipp , Gennis Robert , von Ballmoos Christoph
Published: October 2021

Membrane bound nicotinamide nucleotide transhydrogenase (TH) catalyses the hydride transfer from NADH to NADP+. Under physiological conditions, this reaction is endergonic and must be energized by the pmf, coupled to transmembrane proton transport. Recent structures of transhydrogenase holoenzymes suggest new mechanistic details, how the long-distance coupling between hydride transfer in the peripheral nucleotide binding sites and the membrane-localized proton transfer occurs that now must be tested experimentally. Here, we provide protocols for the efficient expression and purification of the Escherichia coli transhydrogenase and its reconstitution into liposomes, alone or together with the Escherichia coli F1F0 ATP synthase. We show that E. coli transhydrogenase is a reversible enzyme that can also work as a NADPH-driven proton pump. In liposomes containing both enzymes, NADPH driven H+-transport by TH is sufficient to instantly fuel ATP synthesis, which adds TH to the pool of pmf generating enzymes. If the same liposomes are energized with ATP, NADPH production by TH is stimulated > sixfold both by a pH gradient or a membrane potential. The presented protocols and results reinforce the tight coupling between hydride transfer in the peripheral nucleotide binding sites and transmembrane proton transport and provide powerful tools to investigate their coupling mechanism.
Lipid profiles and outcomes of patients with prior cancer and subsequent myocardial infarction or stroke
Authors: Koo Chieh Yang , Zheng Huili , Tan Li Ling , Foo Ling-Li , Seet Raymond , Chong Jun-Hua , Hausenloy Derek J. , Chng Wee-Joo , Richards A. Mark , Lee Chi-Hang , Chan Mark Y.
Published: October 2021

Patients with cancer are at increased risk of myocardial infarction (MI) and stroke. Guidelines do not address lipid profile targets for these patients. Within the lipid profiles, we hypothesized that patients with cancer develop MI or stroke at lower low density lipoprotein cholesterol (LDL-C) concentrations than patients without cancer and suffer worse outcomes. We linked nationwide longitudinal MI, stroke and cancer registries from years 2007–2017. We identified 42,148 eligible patients with MI (2421 prior cancer; 39,727 no cancer) and 43,888 eligible patients with stroke (3152 prior cancer; 40,738 no cancer). Median LDL-C concentration was lower in the prior cancer group than the no cancer group at incident MI [2.43 versus 3.10 mmol/L, adjusted ratio 0.87 (95% CI 0.85–0.89)] and stroke [2.81 versus 3.22 mmol/L, adjusted ratio 0.93, 95% CI 0.91–0.95)]. Similarly, median triglyceride and total cholesterol concentrations were lower in the prior cancer group, with no difference in high density lipoprotein cholesterol. Prior cancer was associated with higher post-MI mortality [adjusted hazard ratio (HR) 1.48, 95% CI 1.37–1.59] and post-stroke mortality (adjusted HR 1.95, 95% CI 1.52–2.52). Despite lower LDL-C concentrations, patients with prior cancer had worse post-MI and stroke mortality than patients without cancer.
Uncovering early events in primary Epstein-Barr virus infection using a rabbit model
Authors: Reguraman Narendran , Hassani Asma , Philip Pretty , Khan Gulfaraz
Published: October 2021

Epstein-Barr virus (EBV) is an oncogenic herpesvirus implicated in the pathogenesis of several malignant and non-malignant conditions. However, a number of fundamental aspects about the biology of EBV and the mechanism(s) by which this virus induces pathology remain unknown. One major obstacle has been the lack of a suitable animal model for EBV infection. In this study, using our recently established rabbit model of EBV infection, we examined the early events following primary EBV infection. We show that, both immunocompetent and immunosuppressed animals were readily susceptible to EBV infection. However, immunosuppressed animals showed marked splenomegaly and widespread infection. Following EBV infection, the virus primarily targeted naïve IgM+, CD20+, CD21+ and CD79a+ B cells. Infected cells expressed varying sets of viral latent/lytic gene products. Notably, co-expression of latent and lytic proteins in the same cell was not observed. Infected cells in type 0/1 latency (EBERs+), were small and proliferating (Ki67+). By contrast, cells in type 2/3 latency (LMP1+), were large, non-proliferating (Ki-67−) and p53+. Although infected B-cells were widely present in splenic follicles, they did not express germinal center marker, BCL-6. Taken together, this study shows for the first time, some of the early events following primary EBV infection.
A low-cost easily implementable physiotherapy intervention clinically improves gait implying better adaptation to lower limb prosthesis: a randomized clinical trial
Authors: Almeida Leticia Vargas , Fukuchi Claudiane Arakaki , Sakanaka Tania Emi , Cliquet Alberto
Published: October 2021

Lower limb amputation highly impacts the lives of individuals. The inability to walk due to difficulties in adapting to wearing prosthesis can potentially result in physical degeneration and comorbidity in this population. In this randomized clinical trial study, we investigated if a low-cost and easily implementable physiotherapy intervention was effective in improving gait performance and adaptation to lower limb prosthesis in individuals with an amputation. A total of 26 individuals participated in the study, 16 with lower limb amputation and 10 without amputation. Participants with amputation were further divided in intervention and control groups. The intervention group underwent a rehabilitation protocol aimed at strengthening muscles and improving prosthesis adaptation. Muscle strengthening targeted the hip segment, prioritizing the abdominal muscles, hip flexors, extensors, adductors and abductors, followed by cicatricial mobilization and weight-bearing on the stump for desensitization. Assessment and measures were performed across the kinetic and kinematic parameters of gait. In the comparison between pre-and post-intervention, a significant increase in gait speed (0.68—2.98, 95% CI, 1.83, effect size ES) and cadence (0.56—2.69, 95% CI, 1.63, ES) was found between groups and time points. Step (0.73—3.11, 95% CI, 1.92, ES) and stride length (0.62—2.84, 95% CI, 1.73) increased between pre- and post-intervention, while in the control group both variables remained smaller. The intervention group decreased stance phase as a percentage of gait cycle between pre- and post-intervention (− 1.33—0.62, 95% CI, − 36, ES), while it increased in the control group. Improvement in a combination of important gait parameters indicates that the intervention protocol promoted the adaptation to prosthesis and the functional independence of individuals with lower limb amputation. It is recommended that the participants continue receiving follow-up assessments and rehabilitation interventions.
High accumulation of Mx2 renders limited multiplication of oncolytic herpes simplex virus-1 in human tumor cells
Authors: Ren Yong , Chen Meiling , Wu Guangxian , Ji Dongmei , Zhou Grace Guoying , Ren Pei-Gen , Fu Wenmin
Published: October 2021

Increasing studies demonstrated that oncolytic activities of oHSV-1 are limited to the capacity of virus replicating in tumors. In order to potentiate the oHSV-1 oncolytic activity and expand the application of oHSV-1 treatment in multiple types of tumors, it is critical to explore the potential factors or mechanisms mediating tumor resistance to oHSV-1 infection. Here we evaluated the levels of oHSV-1 multiplication in various tumor cell lines and showed that glioblastoma cell line A172 had the lowest virus yields but intrinsically accumulated the highest levels of Mx2 protein. Subsequently we demonstrated that genetic depletion of Mx2 specifically enhanced oHSV-1 productive replication in A172 cells through promoting the nuclear translocation of uncoated viral genomic DNA and down-regulating innate antiviral response. In the further investigation, we found that Mx2 knockdown could alter the intrinsic mRNA accumulation of diverse sets innate immune genes in A172 cells, in particular DHX36 and MyD88. Mx2 depletion led to a decrease in mRNA levels of MyD88 and DHX36 in A172 cells and MyD88/DHX36 knockdown increased virus yield in A172 cells and decreased the production of IFNα, activation of IRF3 activity and NF-κB signaling in A172 cells. This shed new lights on understanding the roles of some intrinsic antiviral genes in oHSV-1 resistance, facilitating to offer potential targets to improve oHSV-1 oncolytic efficacy and develop candidates of biomarkers to predict the efficiency of oHSV-1 multiplication in tumors.
The resistive ground fault of PWM voltage inverter in the EV charging station
Authors: Zurek-Mortka Marta , Szymanski Jerzy R.
Published: October 2021

During the direct touch of the inverter output voltage or with the ungrounded shield of the cable connecting the inverter to the motor or other type of load, the nonsinusoidal ground currents with a basic harmonic frequency between 1.5 and 16 kHz, flow via a human’s body. Here was proved that Residual Current Device (RCD) ($$I_{\triangle n}$$

I

▵
n

= 30 mA) does not switch off the power supply when a ground current with a value of about some hundred milliamps occurs. Because RCDs do not disconnect the power supply, the touch on the inverter’s voltage is dangerous to health and life. For the authors, the RCD usage in the Voltage Frequency Converters (VFCs) is not a good engineer practice when high-frequency common-mode distortion currents flow through it. The paper presents tests of RCD operation in the event of a resistance ground fault (via human body) during EV battery charging where the PWM voltage inverter is connected to the external rectifier to provide DC charging battery voltage. Finally, the authors propose a method of eliminating common-mode (CM) current from short protection system by using a separate circuit in which the parasitic leakage current omits an RCD.
Visual feedback improves bimanual force control performances at planning and execution levels
Authors: Kim Hyun Joon , Lee Joon Ho , Kang Nyeonju , Cauraugh James H.
Published: October 2021

The purpose of this study was to determine the effect of different visual conditions and targeted force levels on bilateral motor synergies and bimanual force control performances. Fourteen healthy young participants performed bimanual isometric force control tasks by extending their wrists and fingers under two visual feedback conditions (i.e., vision and no-vision) and three targeted force levels (i.e., 5%, 25%, and 50% of maximum voluntary contraction: MVC). To estimate bilateral motor synergies across multiple trials, we calculated the proportion of good variability relative to bad variability using an uncontrolled manifold analysis. To assess bimanual force control performances within a trial, we used the accuracy, variability, and regularity of total forces produced by two hands. Further, analysis included correlation coefficients between forces from the left and right hands. In addition, we examined the correlations between altered bilateral motor synergies and force control performances from no-vision to vision conditions for each targeted force level. Importantly, our findings revealed that the presence of visual feedback increased bilateral motor synergies across multiple trials significantly with a reduction of bad variability as well as improved bimanual force control performances within a trial based on higher force accuracy, lower force variability, less force regularity, and decreased correlation coefficients between hands. Further, we found two significant correlations in (a) increased bilateral motor synergy versus higher force accuracy at 5% of MVC and (b) increased bilateral motor synergy versus lower force variability at 50% of MVC. Together, these results suggested that visual feedback effectively improved both synergetic coordination behaviors across multiple trials and stability of task performance within a trial across various submaximal force levels.
The regulatory effect of hyaluronan on human mesenchymal stem cells’ fate modulates their interaction with cancer cells in vitro
Authors: Vogeley Christian , Degistirici Özer , Twarock Sören , Wladarz Jessica , Reiners Oliver , Gorges Tobias , Fischer Jens W. , Meisel Roland , Gorges Katharina
Published: October 2021

Metastatic spread of cancer cells into a pre-metastatic niche is highly dependent on a supporting microenvironment. Human bone marrow-derived mesenchymal stem cells (bmMSCs) contribute to the tumor microenvironment and promote cancer metastasis by inducing epithelial-to-mesenchymal transition and immune evasion. The underlying mechanisms, however, are incompletely understood. The glycosaminoglycan hyaluronan (HA) is a central component of the extracellular matrix and has been shown to harbor pro-metastatic properties. In this study we investigated the highly disseminating breast cancer and glioblastoma multiforme cell lines MDA-MB-321 and U87-MG which strongly differ in their metastatic potential to evaluate the impact of HA on tumor promoting features of bmMSC and their interaction with tumor cells. We show that adipogenic differentiation of bmMSC is regulated by the HA-matrix. This study reveals that MDA-MB-231 cells inhibit this process by the induction of HA-synthesis in bmMSCs and thus preserve the pro-tumorigenic properties of bmMSC. Furthermore, we show that adhesion of MDA-MB-231 cells to bmMSC is facilitated by the tumor cell-induced HA-rich matrix and is mediated by the HA-receptor LAYN. We postulate that invasive breast cancer cells modulate the HA-matrix of bmMSC to adapt the pre-metastatic niche. Thus, the HA-matrix provides a potential novel therapeutic target to prevent cancer metastasis.
Vestiges of underplating and assembly in the central North China Craton based on S-wave velocities
Authors: Tian Haoyu , He Chuansong
Published: October 2021

The destruction of the North China Craton (NCC) is a controversial topic among researchers. In particular, the crustal structure associated with the craton’s destruction remains unclear, even though a large number of seismic studies have been carried out in this area. To investigate the crustal structure and its dynamic implications, we perform noise tomography in the central part of the NCC. In this study, continuous vertical-component waveforms spanning one year from 112 broadband seismic stations are used to obtain the group velocity dispersion curves of Rayleigh waves at different periods, and surface wave tomography is employed to extract the Rayleigh wave group velocity distributions at 9–40 s. Finally, the S-wave velocity structure at depths of 0–60 km is determined by the inversion of pure-path dispersion data. The results show obvious differences in the crustal structure among the Western Block (WB), the Trans-North China Orogen (TNCO) and the Eastern Block (EB). The lower crust of the northern part of the EB exhibits a high-velocity S-wave anomaly, which may be related to magmatic underplating in the lower crust induced by an upwelling mantle plume. The S-wave velocity of the WB is lower than that of the TNCO in the upper and middle crust and is lower than that of both the TNCO and the EB in the lower crust. The crust of the TNCO shows higher S-wave velocities than the WB and EB in the upper and middle crust, and its overall S-wave velocity structure is clearly different from those of the WB and EB, implying that the crustal structure of the TNCO may contain vestiges of the Paleoproterozoic collision between the WB and EB and their subsequent assembly. This study marks the first time these findings are identified for the NCC.
Effects of bee venom and dopamine-loaded nanoparticles on reserpine-induced Parkinson’s disease rat model
Authors: Ahmed-Farid Omar A. , Taha Mohamed , Bakeer Rofanda M. , Radwan Omyma K. , Hendawy Hassan A. M. , Soliman Ayman S. , Yousef Einas
Published: October 2021

Parkinson’s disease (PD) is a progressive chronic neurodegenerative condition characterized by the loss of dopaminergic neurons within the substantia nigra. Current PD therapeutic strategies are mainly symptomatic and can lead to motor complications overtime. As a result, alternative medicine may provide an effective adjuvant treatment for PD as an addition to or as a replacement of the conventional therapies. The aim of this work was to evaluate the effects of Bee Venom (BV) and dopamine (DA)-loaded nanoparticles in a reserpine-induced animal model of PD. After inducing PD with reserpine injection, different groups of male rats were treated with L-Dopa, BV, DA-nanoparticles. Our findings showed that BV and DA-nanoparticles administration restored monoamines, balanced glutamate/GABA levels, halted DNA fragmentation, decreased pro-inflammatory mediators (IL-1β and TNF-α), and elevated anti-inflammatory mediators (PON1) and neurotropic factor (BDNF) levels in comparison with conventional therapy of PD. Furthermore, in a reserpine-induced PD rat model, the ameliorative effects of BV were significantly superior to that of DA-nanoparticles. These findings imply that BV and DA-nanoparticles could be useful as adjuvant treatments for PD.
Socioeconomic differences and persistent segregation of Italian territories during COVID-19 pandemic
Authors: Bonaccorsi Giovanni , Pierri Francesco , Scotti Francesco , Flori Andrea , Manaresi Francesco , Ceri Stefano , Pammolli Fabio
Published: October 2021

Lockdowns implemented to address the COVID-19 pandemic have disrupted human mobility flows around the globe to an unprecedented extent and with economic consequences which are unevenly distributed across territories, firms and individuals. Here we study socioeconomic determinants of mobility disruption during both the lockdown and the recovery phases in Italy. For this purpose, we analyze a massive data set on Italian mobility from February to October 2020 and we combine it with detailed data on pre-existing local socioeconomic features of Italian administrative units. Using a set of unsupervised and supervised learning techniques, we reliably show that the least and the most affected areas persistently belong to two different clusters. Notably, the former cluster features significantly higher income per capita and lower income inequality than the latter. This distinction persists once the lockdown is lifted. The least affected areas display a swift (V-shaped) recovery in mobility patterns, while poorer, most affected areas experience a much slower (U-shaped) recovery: as of October 2020, their mobility was still significantly lower than pre-lockdown levels. These results are then detailed and confirmed with a quantile regression analysis. Our findings show that economic segregation has, thus, strengthened during the pandemic.
Predictive usefulness of RT-PCR testing in different patterns of Covid-19 symptomatology: analysis of a French cohort of 12,810 outpatients
Authors:   The AP-HP/Universities/Inserm COVID-19 Research Collaboration,   Writing Committee, Apra Caroline , Caucheteux Charlotte , Mensch Arthur , Mansour Jenny , Bernaux Mélodie , Dechartres Agnès , Debuc Erwan , Lescure Xavier , Dinh Aurélien , Yordanov Youri , Jourdain Patrick ,   Data Science Committee, Mensch Arthur , Caucheteux Charlotte , Apra Caroline , Mansour Jenny , Paris Nicolas , Gramfort Alexandre ,   Scientific Committee, Aime-Eusebi Amélie , Apra Caroline , Bleibtreu Alexandre , Debuc Erwan , Dechartres Agnès , Deconinck Laurène , Dinh Aurélien , Jourdain Patrick , Katlama Christine , Lebel Josselin , Lescure François-Xavier , Yordanov Youri ,   Covidom Regional Center Steering Committee, Artigou Yves , Banzet Amélie , Boucheron Elodie , Boudier Christiane , Buzenac Edouard , Chapron Marie-Claire , Chekaoui Dalhia , De Bastard Laurent , Debuc Erwan , Dinh Aurélien , Grenier Alexandre , Haas Pierre-Etienne , Hody Julien , Jarraya Michèle , Jourdain Patrick , Lacaille Louis , Le Guern Aurélie , Leclert Jeremy , Male Fanny , Marchand-Arvier Jerôme , Martin-Blondet Emmanuel , Nassour Apolinne , Ourahou Oussama , Penn Thomas , Ribardiere Ambre , Robin Nicolas , Rouge Camille , Schmidt Nicolas , Villie Pascaline
Published: October 2021

Reverse transcriptase polymerase chain reaction (RT-PCR) is a key tool to diagnose Covid-19. Yet it may not be the most efficient test in all patients. In this paper, we develop a clinical strategy for prescribing RT-PCR to patients based on data from COVIDOM, a French cohort of 54,000 patients with clinically suspected Covid-19, including 12,810 patients tested by RT-PCR. We use a machine-learning algorithm (decision tree) in order to predict RT-PCR results based on the clinical presentation. We show that symptoms alone are sufficient to predict RT-PCR outcome with a mean average precision of 86%. We identify combinations of symptoms that are predictive of RT-PCR positivity (90% for anosmia/ageusia) or negativity (only 30% of RT-PCR+ for a subgroup with cardiopulmonary symptoms): in both cases, RT-PCR provides little added diagnostic value. We propose a prescribing strategy based on clinical presentation that can improve the global efficiency of RT-PCR testing.
Direct analysis of naphthenic acids in produced water and crude oil by NH2-surface-modified wooden-tip electrospray ionization mass spectrometry
Authors: da Silva Thais A. M. , Pereira Igor , de Aguiar Deborah V. A. , dos Santos Gabriel F. , de Brito Talita P. , de Carvalho Rogério M. , Medeiros Junior I. , Simas Rosineide C. , Vaz Boniek G.
Published: October 2021

An NH2-surface-coated wooden-tip electrospray ionization mass spectrometry method was developed for naphthenic acid analysis in water samples.
Visualization of lipophagy using a supramolecular FRET pair
Authors: Lee Ara , Li Meng , Ko Young Ho , Park Sanghwang , Seo Jongcheol , Park Kyeng Min , Kim Kimoon
Published: October 2021

Host–guest interactions between rationally designed fluorescent probes enable the visualization of lipophagy in live cells.
Reduction induced S-nucleophilicity in mono-dithiolene molybdenum complexes – in situ generation of sulfonium ligands
Authors: Elvers Benedict J. , Krewald Vera , Schulzke Carola , Fischer Christian
Published: October 2021

Formation of hitherto unknown sulfonium ligands from reduced mono-dithiolene molybdenum complexes and dichloromethane.
Synthesis of β-cyanoalkylsulfonylated vinyl selenides through a four-component reaction
Authors: He Fu-Sheng , Yao Yanfang , Tang Zhimei , Qiu Yanjie , Xie Wenlin , Wu Jie
Published: October 2021

A copper-catalyzed multicomponent selenosulfonylation of alkynes with sulfur dioxide for the synthesis of β-cyanoalkylsulfonylated vinyl selenides is achieved.
Factors affecting the electron–phonon coupling in FeSe under pressure
Authors: Li Tingting , Zhang Xiaoli , Zeng Zhi
Published: October 2021

The Wyckoff position, zSe, and the lattice constants affecting the electron–phonon coupling in FeSe are studied separately using DFT calculations.
A method for designing tunable chiral mechanical carbon networks for energy storage
Authors: Cai Kun , Li Xin , Zhong Zheng , Shi Jiao , Qin Qing-Hua
Published: October 2021

A method is proposed for designing tunable chiral nano-networks using partly hydrogenated graphene ribbons and carbon nanotubes (CNTs).
Carbon-wrapped Fe–Ni bimetallic nanoparticle-catalyzed Friedel–Crafts acylation for green synthesis of aromatic ketones
Authors: Zhang Hao , Song Xiaojing , Sun Hao , Lei Zhenyu , Bao Shouxin , Zhao Chen , Hu Dianwen , Zhang Wenxiang , Liu Jingyao , Jia Mingjun
Published: October 2021

FexNi1−x@NC efficiently catalyzed Friedel–Crafts acylation for green synthesis of aromatic ketones and exploration of the essence of catalytically active sites.
Metal triflate formation of C12–C22 phenolic compounds by the simultaneous C–O breaking and C–C coupling of benzyl phenyl ether
Authors: Rahaman Mohammad Shahinur , Tulaphol Sarttrawut , Molley Ashten , Mills Kyle , Hossain Md. Anwar , Yelle Daniel , Maihom Thana , Sathitsuksanoh Noppadon
Published: October 2021

Hafnium triflate catalyzes C–O breaking and C–C coupling of lignin-derived benzyl phenyl ether into C12–C22 phenolic compounds for phenol-formaldehyde resins, liquid organic hydrogen carriers, and diesel/jet fuels.
Tanz zircon megacrysts: a new zircon reference material for the microbeam determination of U–Pb ages and Zr–O isotopes
Authors: Hu Zhaochu , Li Xian-Hua , Luo Tao , Zhang Wen , Crowley James , Li Qiuli , Ling Xiaoxiao , Yang Chuan , Li Yang , Feng Lanping , Xia Xiaoping , Zhang Shao-Bing , Wang Zaicong , Guo Jinliang , Xu Lei , Lin Jie , Liu Xiaoming , Bao Zhian , Liu Yongsheng , Zong Keqing , Chen Wei , Hu Shenghong
Published: October 2021

A new ideal zircon microanalytical reference material (Tanz) is presented for in situ U–Pb, O and Zr isotope measurements.
Enhanced oxygen reduction activity of bimetallic Pd–Ag alloy-supported on mesoporous cerium oxide electrocatalysts in alkaline media
Authors: Sridharan M. , Maiyalagan T.
Published: October 2021

Currently, the rational design and fabrication of Pt-free electrocatalysts towards the oxygen reduction reaction for extensive applications in fuel cells is a challenging task.
Preparation of gels of chitosan through a hydrothermal reaction in the presence of malonic acid and cinnamaldehyde: characterization and antibacterial activity
Authors: Govindaraj Prabha , Subramanian Sivanesan , Raghavachari Dhamodharan
Published: October 2021

The preparation of composite gels through the hydrothermal reaction of a mixture of chitosan (CH), malonic acid (MLA), urea (UR) and cinnamaldehyde (CA), all of which are sustainable materials, is reported.
Comparing the self-assembly processes of two redox-active exTTF-based regioisomer ligands
Authors: Dekhtiarenko Maksym , Allain Magali , Carré Vincent , Aubriet Frédéric , Voitenko Zoia , Sallé Marc , Goeb Sébastien
Published: October 2021

A new exTTF-based ligand was synthesized and its coordination-driven self-assembly behavior with a square planar palladium complex was compared with a previously described regioisomer.
Rearrangement of protein structures on a gold nanoparticle surface is regulated by ligand adsorption modes
Authors: Wang Xiaofeng , Lei Rong , Li Limei , Fei Xinyu , Ju Rui , Sun Xiwen , Cao Huiying , Zhang Qingfang , Chen Chunying , Wang Xinyi
Published: October 2021

The protein structure rearrangement on nanosurface regulated by ligand adsorption modes is the result of internal energy adjustment to offset the nano-protein interface energy, by elevating H-bonds involving α-helix decrease and β-sheet increase.
Polypyrrole-based nanotheranostic agent for MRI guided photothermal-chemodynamic synergistic cancer therapy
Authors: Zhou Bangyi , Yin Chenhui , Feng Qiang , Wu Yiting , Pan Xiaoyu , Liu Chuang , Tian Jinjin , Geng Siqi , Wang Kexin , Xing Jie , Cao Yi , Shou Pingbo , Yu Zhangsen , Wu Aiguo
Published: October 2021

Schematic illustration of the simple two-step synthesis process and excellent MR-guided photothermal/chemotherapy synergistic treatment mechanism of PPy@BSA-MnO2 nanoprobes, which have outstanding potential in biomedical and clinical applications.
Structure–antitumor activity relationships of tripodal imidazolium-amino acid based salts. Effect of the nature of the amino acid, amide substitution and anion
Authors: Valls Adriana , Altava Belén , Aseyev Vladimir , Carreira-Barral Israel , Conesa Laura , Falomir Eva , García-Verdugo Eduardo , Luis Santiago Vicente , Quesada Roberto
Published: October 2021

Imidazolium tripodal compounds derived from amino acids presented good cancer cell growth inhibition against different cancer cell lines, increasing the inhibition whenin vitroexperiments were carried out at acidic pHe.
Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes
Authors: Oulmidi Afaf , Radi Smaail , Idir Abderrazak , Zyad Abdelmajid , Kabach Imad , Nhiri Mohamed , Robeyns Koen , Rotaru Aurelian , Garcia Yann
Published: October 2021

The complexes: [CoL2](ClO4)2(1), [FeL2](ClO4)2(2), [NiL2](ClO4)2(3) and [MnLCl2] (4), with L = diethyl-1,1′-(pyridine-2,6-diyl)bis(5-methyl-1H-pyrazole-3-carboxylate), were synthesized and fully characterized.
A novel characterisation approach to reveal the mechano–chemical effects of oxidation and dynamic distension on polypropylene surgical mesh
Authors: Farr Nicholas T. H. , Roman Sabiniano , Schäfer Jan , Quade Antje , Lester Daniel , Hearnden Vanessa , MacNeil Sheila , Rodenburg Cornelia
Published: October 2021

The application of novel SEM-based spectroscopical characterisation techniques reveals the mechano–chemical effects of oxidation and dynamic distension on polypropylene surgical mesh.
Investigation of element migration characteristics and product properties during biomass pyrolysis: a case study of pine cones rich in nitrogen
Authors: Wu Jielong , Wang Liangcai , Ma Huanhuan , Zhou Jianbin
Published: October 2021

To further understand the element migration characteristics and product properties during biomass pyrolysis, herein, pine cone (PC) cellulose and PC lignin were prepared, and their pyrolysis behavior was determined using thermogravimetric analysis (TGA).
Challenges and opportunities of hydrothermal carbonisation in the UK; case study in Chirnside
Authors: Bevan Eloise , Fu Jile , Luberti Mauro , Zheng Ying
Published: October 2021

The latest research and development in hydrothermal carbonisation (HTC) processes are reviewed and the feasibility of application to small towns in the UK is assessed.
One-dimensional core–shell motif nanowires with chemically-bonded transition metal sulfide-carbon heterostructures for efficient sodium-ion storage
Authors: Wei Pengcheng , Zhu Jinliang , Qiu Yuyan , Wang Guifang , Xu Xingtao , Ma Shaojian , Shen Pei Kang , Wu Xing-Long , Yamauchi Yusuke
Published: October 2021

A chemical-vapor deposition-like strategy was developed for the synthesis of versatile core–shell transition metal sulfide (TMS)@carbon heterostructured nanowires for electrochemical sodium ion storage.
Enhancing electrocatalytic nitrogen reduction to ammonia with rare earths (La, Y, and Sc) on high-index faceted platinum alloy concave nanocubes
Authors: Mao Yu-Jie , Liu Feng , Chen You-Hu , Jiang Xin , Zhao Xin-Sheng , Sheng Tian , Ye Jin-Yu , Liao Hong-Gang , Wei Lu , Sun Shi-Gang
Published: October 2021

High-index faceted Pt–RE (RE = La, Y, and Sc) alloys exhibit an excellent electrocatalytic performance for nitrogen reduction to ammonia due to the high density of low-coordinated Pt step sites and the unique electronic effect of Pt–RE.
Promoting Zn2+ storage capability of a vanadium-based cathode via structural reconstruction for aqueous Zn-ion batteries
Authors: Wang Yi , Zhou Lijun , Cao Xianshuo , Gao Xingyuan , Lu Xihong
Published: October 2021

A promising VO2·0.81H2O (VOHO) nanorods cathode with an excellent performance towards Zn2+ storage was developed via the structural reconstruction of commercial V2O5 (VO) nanoparticles by a simple hydrothermal treatment.
Differential biomolecular recognition by synthetic vs. biologically-derived components in the stone-forming process using 3D microfluidics
Authors: Awuah Boadi Eugenia , Shin Samuel , Gombedza Farai , Bandyopadhyay Bidhan C.
Published: October 2021

Synthetic vs. biological crystal aggregation in renal tubule. (A) Non-specific recognition by synthetic crystals resulted in larger floppy aggregates. (B) Specific recognition by biogenic crystals with matrix proteins, induced discrete aggregation.
Reversible stimuli-responsive luminescence of bimetallic cuprous complexes based on NH-deprotonated 3-(2′-pyridyl)pyrazole
Authors: Tong Yang , Chen Xing-Wei , He Li-Hua , Chen Jing-Lin , Liu Sui-Jun , Wen He-Rui
Published: October 2021

Reversible stimuli-responsive luminescence virtually stems from the breaking and rebuilding of various CH⋯O hydrogen bonds around ClO4−, as supported by single-crystal analysis, the1H NMR spectra, and the PXRD and FT-IR spectra in various forms.
Broadband light emitting zero-dimensional antimony and bismuth-based hybrid halides with diverse structures
Authors: Deng Chenkai , Hao Shiqiang , Liu Kunjie , Molokeev Maxim S. , Wolverton Christopher , Fan Liubing , Zhou Guojun , Chen Da , Zhao Jing , Liu Quanlin
Published: October 2021

A series of hybrid metal halides were obtained, and among them, (TMEDA)3Sb2Br12·H2O exhibits the strongest yellow emission centered at 625 nm with a full-width at half-maximum of ∼150 nm originating from self-trapped excitons.
Predictable luminescence performance of polyphenylpyrazine derivatives based on a theoretical model via hole–electron overlap
Authors: Luo Juanjuan , Wu Haozhong , Liu Lu , Wang Zhiming , Tang Ben Zhong
Published: October 2021

A theoretical model is developed to predict the luminescence of TPP derivatives via hole–electron overlap and to obtain AIE tailored materials.
Speech Therapy Telepractice Services in Fiji: A Multicultural Experience for Graduate Student Clinicians
Authors: Walker Judy P. , Richards MaryBeth , Budway Emma
Published: October 2021

Purpose:

The University of Maine Speech Therapy Telepractice Program provides speech therapy telepractice services to children with communication disorders at the International School Suva (ISS), Fiji. This partnership has fostered international engagement and multicultural experiences for graduate student clinicians in the Department of Communication Sciences and Disorders while filling a need for speech therapy services in Fiji. Despite infrastructure, scheduling, and COVID-19 issues, the benefits of this partnership have far outweighed the challenges. Clinical observations of the ISS children's responses have revealed excellent progress toward achieving therapy goals. Parents and school personnel have also reported a high degree of satisfaction with our services. The program has encouraged our graduate students to be resilient, out-of-the-box thinkers as they research a variety of multicultural issues and apply this new knowledge to the clinical programs of their clients.

Conclusions:

This article highlights the partnership between The University of Maine, Speech Therapy Telepractice Training Program and the ISS, Fiji, as an example for other academic programs that are interested in establishing international telepractice partnerships. A description of the telepractice clinical procedures and technology for service provision at the ISS is included, along with a discussion of the challenges and benefits for providing international speech therapy telepractice services. Two case examples illustrate the complexity of providing services to multilingual children with different cultural backgrounds.
A risk‐based multi‐step corrective control method for mitigation of cascading failures
Authors: Liu Yumeng , Wang Tao , Gu Xueping
Published: October 2021

Minimizing the risk of cascading failures in a power system is vital to balance the operational economy and security. A multi‐step corrective control (MSCC) method is proposed to mitigate cascading effects in terms of reducing risk of blackout by considering the multi‐step propagation characteristics of cascading failures caused by overload. Based on fault chain model and the DC power flow equation, the dynamic interaction between the process of cascading failures and control schemes is first discussed. The corrective control problem is then expressed as a multi‐step decision‐making optimisation problem based on the defined risk indices. The MSCC model with flexibility of control timing is designed by optimizing probability weighting expected cost and overload risk of cascading failure. In this control method, generation re‐scheduling and load shedding are selected as the main remedial actions, and a multi‐layer coding genetic algorithm is employed to obtain the optimal remedial control schemes. The numerical results indicate that control schemes generated by the proposed method could mitigate the cascading failures and result in better performance than non‐recurring corrective control (NCC) in terms of economy and operational risk.
Enabling hybrid energy storage systems in VSC‐based MTDC grids for decentralized fast frequency response control in low‐inertia AC/DC systems
Authors: Shadabi Hamed , Kamwa Innocent
Published: October 2021

This paper studies the hybrid energy storage system to provide frequency support for the interconnected AC grid through MTDC systems interfacing renewable resources. A hybrid energy storage structure was created using a supercapacitor (SC) and battery storage systems (BESs). To coordinate the sharing of power between SC and BESS, an improved droop controller based on virtual inductance, capacitance, and resistance gain (VICRC) is suggested. Meanwhile, the droop controller's steady‐state deviation of the DC link voltage is immediately suppressed. The SC will be in charge of compensating the high‐frequency demand, whereas the BESS will be in charge of compensating the low‐frequency power demand, thanks to a decentralized energy management process. In addition, the suggested method aids in the rehabilitation of the SC's SOC. Finally, the simulation results with detailed models of the wind farms and AC–DC grid converters are performed on IEEE tests systems in Simulink/SPS and the results extensively discussed to evaluate the proposed structure.
LESC: Superpixel cut‐based local expansion for accurate stereo matching
Authors: Cheng Xianjing , Zhao Yong , Yang Wenbang , Hu Zhijun , Yu Xiaomin , Sang Haiwei , Zhang Guiying
Published: October 2021

The rapid estimation of the accurate disparity between pixels is the goal of stereo matching. However, it is very difficult for the 3D labels‐based methods due to huge search space of 3D labels, especially for high‐resolution images. In this paper, a novel superpixel cut‐based method is proposed, in an attempt to get the accurate disparity map efficiently, including the multi‐layer superpixel optimization and iteractive local ‐expansion in parallel. As for the multi‐layer superpixel optimization, feature point optimization is designed to get accurate candidate labels that are set for most pixels using non‐local cost aggregation strategy and update per‐pixel labels of the corresponding superpixels from the candidate label sets on the small‐size superpixel layer, and then update the middle to large‐size superpixel layers progressively using non‐local cost aggregation strategy. In order to provide more prior information to identify weak texture and textureless regions in non‐local cost aggregation, the weight combination of “intensity + gradient + binary image” is proposed for constructing an optimal minimum spanning tree (MST) to calculate the aggregated matching cost and obtain the labels of minimum aggregated matching cost. Moreover, the local patch surrounding the corresponding superpixels is designed to accelerate superpixel optimization in parallel, and a neighborhood structure is presented to optimize the algorithm in this study, including superpixel neighborhood and patch neighborhood. As for the iteractive local ‐expansion, three layers of patch structure corresponding to the superpixel neighborhood structure is proposed for optimizing the algorithm in this study. The experimental results show that higher accuracy could be achieved via the method in this study compared with some known state‐of‐the‐art stereo methods on KITTI 2015 and Middlebury benchmark V3, which are the standard benchmarks for testing the stereo matching methods.
Dyadic Green's function of partially filled graphene‐loaded rectangular waveguides
Authors: Lotfalizadeh Hamed , Ghaffari‐Miab Mohsen
Published: October 2021

In this study, dyadic Green's functions (DGFs) for a partially filled rectangular waveguide in the presence of a graphene layer is derived in closed form using the Ohm‐Rayleigh method and the method of scattering superposition. Having DGFs of a linear medium, the response of the structure to any arbitrary current distribution can be achieved. In this work, after a brief review on governing equations for graphene conductivity, the electric fields of the structure due to infinitesimal electric dipoles are obtained using the proposed DGFs in closed form. To show the efficiency and accuracy of the proposed method, the results are compared with the simulation results of commercial software, where excellent agreement is observed.
Phase curves of small bodies from the SLOAN Moving Objects Catalog
Authors: Alvarez-Candal A. , Benavidez P. G. , Campo Bagatin A. , Santana-Ros T.
Published: October 2021

Context. Extensive photometric surveys continue to produce enormous stores of data on small bodies. These data are typically sparsely obtained at arbitrary (or unknown) rotational phases. Therefore, new methods for processing such data need to be developed to make the most of these vast catalogs.

Aims. We aim to produce a method of recreating the phase curves of small bodies by considering the uncertainties introduced by the nominal errors in the magnitudes and the effect introduced by rotational variations. We use the SLOAN Moving Objects Catalog data as a benchmark to construct phase curves of all small bodies in u′, g′, r′, i′, and z′ filters. From the phase curves, we obtain the absolute magnitudes and we use them to set up the absolute colors, which are the colors of the asteroids that are not affected by changes in the phase angle.

Methods. We selected objects with ≥3 observations taken in at least one filter and spanning over a minimum of 5 degrees in the phase angle. We developed a method that combines Monte Carlo simulations and Bayesian inference to estimate the absolute magnitudes using the HG12* photometric system.

Results. We obtained almost 15 000 phase curves, with about 12 000 of these including all five filters. The absolute magnitudes and absolute colors are compatible with previously published data that support our method.

Conclusions. The method we developed is fully automatic and well suited for a run based on large amounts of data. Moreover, it includes the nominal uncertainties in the magnitudes and the whole distribution of possible rotational states of the objects producing what are possibly less precise values, that is, larger uncertainties, but more accurate, namely, closer to the actual value. To our knowledge, this work is the first to include the effect of rotational variations in such a manner.
Orbital and atmospheric parameters of two wide O-type subdwarf binaries: BD−11o162 and Feige 80
Authors: Molina Francisco , Vos Joris , Németh Péter , Østensen Roy , Vuković Maja , Tkachenko Andrew , van Winckel Hans
Published: October 2021

Context. There are 23 long-period binary systems discovered to date that contain a B-type hot subdwarf whose orbital parameters have been fully solved. They evolve into O-type subdwarfs (sdO) once the helium burning transitions from the core to the He shell. Their study will help constraint parameters on the formation and evolution of these binaries and explain some of their puzzling features.

Aims. In this study, we aim to solve orbital and atmospheric parameters of two long-period sdO binaries and, for the first time, investigate the chemical composition of their main-sequence (MS) companions.

Methods. HERMES high-resolution spectra are used to obtain radial velocities and solve their orbits. The GSSP code is used to derive the atmospheric parameters and photospheric chemical abundances of the MS companions. Stellar evolution models (MIST) are fitted to the companion atmospheric parameters to derive masses.

Results. The orbital and atmospheric parameters have been fully solved. Masses of the companions and the sdOs were obtained. The photospheric chemical abundances of the MS stars for elements with available lines in the optical range have been derived. They match general trends expected from Galactic chemical evolution but show a depletion of yttrium in both systems and an enrichment of carbon in the BD−11o162 MS.

Conclusions. In the bimodal period-eccentricity diagram, the orbital parameters indicate that Feige 80 matches the same correlation as the majority of the systems. The analysis suggests that Feige 80 has a canonical subdwarf mass and followed a standard formation channel. However, BD−11o162 is an exceptional system with a lower mass. It also shows a C overabundance, which could be caused by a higher progenitor mass. The Y depletion in the MS companions could indicate the existence of a circumbinary disk in these systems’ pasts. Nevertheless, a chemical analysis of a larger sample is necessary to draw strong conclusions.
Complex development of a digital platform of the agricultural economy
Authors: Amirova Elmira , Safiullin Ilnur , Sakhbieva Amina , Aygumov Timur
Published: October 2021

This paper describes the key points in the development of a digital platform for the agrarian economy of Russia. The main problems of transition of the Russian economy to a digital format of work, development, expansion of digital literacy, ways of solving the problems of digitalization of agricultural production are revealed. The creation of complex digital models of production processes in agriculture will increase the productivity of the business of agricultural producers. This requires generally valid agricultural production management systems with hundreds of parameters and analysis of big data, which includes the formation and algorithmization of management: equipment, devices, things, processes, money supply. Each platform is built on the management of the processes of crop production, livestock production, logistics of supply and sale. The basis of the digital platform which is being created as a knowledge platform that reflects the availability of professional staff in creating the necessary programs and providing farms with new IT opportunities to increase productivity. Thus, according to our research, improvement of digital infrastructure can be attributed to the main directions of development of digital technologies in the agricultural sector; updating the human resources of citizens by reducing the digital divide; orientation towards the use of domestic scientific and technical developments; development of domestic technologies correlated with scientific developments. A comprehensive scientific and technical program should also include a training system for the development and functioning of digital agriculture, and this requires the modernization of the entire educational process in agricultural educational institutions.
Questions of control of hormone content in fish and other aquatic organisms (metaanalysis)
Authors: Bagryantseva Olga , Skakun Vladimir , Sokolov Ilya , Gureu Zinaida
Published: October 2021

Between 1995 and 2018, the production of fish and fishery products using feed increased from 12 to 54.3 million tons. In the cultivation of such products in many countries, hormones are widely used as growth stimulants to increase the efficiency of feed conversion for the purpose of sex reversal, as well as for artificial reproduction. Hormones, especially their synthetic forms, are poorly metabolized in the marine organisms, which leads to their accumulation in the food matrix. When they enter the human body, they are capable of accumulation in tissues, affect the endocrine system and can cause the development of a number of metabolic disorders. The possibility of a carcinogenic effect of hormones has been proven. The data presented substantiate the need to control the content of hormones in fish and fish products, develop highly sensitive methods for their detection, establish a list of controlled hormones and hormone-like drugs and safety regulations for food products produced with their use. The most sensitive and accurate method in this case is the HPLC-MS/MS method. We believe that for natural (non-synthetic hormones) and synthetic hormones, the criterion for their absence in the sample should be the sensitivity threshold of the used research method (at least 20 ng/kg).