bluuebunny/crossref_metadata_2025 huggingface dataset:
Predictive simulation of post-stroke gait with functional electrical stimulation
Authors: Santos Gilmar F. , Jakubowitz Eike , Pronost Nicolas , Bonis Thomas , Hurschler Christof
Published: November 2021

Post-stroke patients present various gait abnormalities such as drop foot, stiff-knee gait (SKG), and knee hyperextension. Functional electrical stimulation (FES) improves drop foot gait although the mechanistic basis for this effect is not well understood. To answer this question, we evaluated the gait of a post-stroke patient walking with and without FES by inverse dynamics analysis and compared the results to an optimal control framework. The effect of FES and cause-effect relationship of changes in knee and ankle muscle strength were investigated; personalized muscle–tendon parameters allowed the prediction of pathologic gait. We also predicted healthy gait patterns at different speeds to simulate the subject walking without impairment. The passive moment of the knee played an important role in the estimation of muscle force with knee hyperextension, which was decreased during FES and knee extensor strengthening. Weakening the knee extensors and strengthening the flexors improved SKG. During FES, weak ankle plantarflexors and strong ankle dorsiflexors resulted in increased ankle dorsiflexion, which reduced drop foot. FES also improved gait speed and reduced circumduction. These findings provide insight into compensatory strategies adopted by post-stroke patients that can guide the design of individualized rehabilitation and treatment programs.
Construction and application of a high precision 3D simulation model for geomechanics of the complex coal seam
Authors: Zhao Lijuan , Zhang Meichen , Jin Xin
Published: November 2021

The high-precision 3D simulation model for geomechanics of a complex coal seam is the necessary premise for the research on intelligent shearer and unmanned mining. However, at present, a simulation model for geomechanics of a complex coal seam generally has the problems of simplifying complex geological structures and low accuracy for structures. In order to meet the needs of a coal seam simulation model in the mining process of an intelligent shearer, it is necessary to optimize the simplified model of a coal seam. Therefore, based on a 3D simplified simulation model constructed with discrete element technology, the complex coal seam application plug-in was compiled with the help of an Application Program Interface. Moreover, according to the geological characteristics, new attributes were added to the structures to complete the construction of the model of a complex coal seam. Finally, the model was verified with laboratory experiments. The results showed that the high-precision 3D simulation model for geomechanics of a complex coal seam effectively improved the accuracy of the modeling. The real-time transmission and the real-time sharing of multi-source data were realized by considering the 3D simulation model for geomechanics of a complex coal seam as the core. Additionally, the purpose of the real-time sensing of the coal cutting state was achieved in order to lay the foundation for the realization of unmanned mining.
Wireless signal modulation identification method based on RF I/Q data distribution
Authors: Wang Lihui , Chen Zhenjia , Zhang Yonghui
Published: November 2021

Electromagnetic spectrum detection is the basis of the next generation wireless communication technology. Wireless signal identification is an important part of electromagnetic spectrum detection and management activities. This paper proposes to extract the distribution features of different modulated signals from the signal I/Q data. A two-dimensional gradient matrix is used to describe the characteristics of the signal classification. The minimum gradient cumulative distance (GCD) estimate between the sample and the model is used as the decision criterion for the signal classification. According to the result of the confusion matrix, the weight of the model is adjusted. Experiments show that the recognition rate of the modulated signal mentioned in this paper can reach 82.75%. The I/Q data sample was extracted under actual engineering conditions involving random noise, and the recognition rate dropped to approximately 79%. Based on the initial model gradient matrix, a reasonable algorithm is set to adjust the weight of the model, which can effectively improve the recognition rate of the modulated signal.
Hsp70-containing extracellular vesicles are capable of activating of adaptive immunity in models of mouse melanoma and colon carcinoma
Authors: Komarova Elena Y. , Suezov Roman V. , Nikotina Alina D. , Aksenov Nikolay D. , Garaeva Luiza A. , Shtam Tatiana A. , Zhakhov Alexander V. , Martynova Marina G. , Bystrova Olga A. , Istomina Maria S. , Ischenko Alexander M. , Margulis Boris A. , Guzhova Irina V.
Published: October 2021

The release of Hsp70 chaperone from tumor cells is found to trigger the full-scale anti-cancer immune response. Such release and the proper immune reaction can be induced by the delivery of recombinant Hsp70 to a tumor and we sought to explore how the endogenous Hsp70 can be transported to extracellular space leading to the burst of anti-cancer activity. Hsp70 transport mechanisms were studied by analyzing its intracellular tracks with Rab proteins as well as by using specific inhibitors of membrane domains. To study Hsp70 forms released from cells we employed the assay consisting of two affinity chromatography methods. Hsp70 content in culture medium and extracellular vesicles (EVs) was measured with the aid of ELISA. The properties and composition of EVs were assessed using nanoparticle tracking analysis and immunoblotting. The activity of immune cells was studied using an assay of cytotoxic lymphocytes, and for in vivo studies we employed methods of affinity separation of lymphocyte fractions. Analyzing B16 melanoma cells treated with recombinant Hsp70 we found that the chaperone triggered extracellular transport of its endogenous analog in soluble and enclosed in EVs forms; both species efficiently penetrated adjacent cells and this secondary transport was corroborated with the strong increase of Natural Killer (NK) cell toxicity towards melanoma. When B16 and CT-26 colon cancer cells before their injection in animals were treated with Hsp70-enriched EVs, a powerful anti-cancer effect was observed as shown by a two-fold reduction in tumor growth rate and elevation of life span. We found that the immunomodulatory effect was due to the enhancement of the CD8-positive response and anti-tumor cytokine accumulation; supporting this there was no delay in CT-26 tumor growth when Hsp70-enriched EVs were grafted in nude mice. Importantly, pre-treatment of B16 cells with Hsp70-bearing EVs resulted in a decline of arginase-1-positive macrophages, showing no generation of tumor-associated macrophages. In conclusion, Hsp70-containing EVs generated by specifically treated cancer cells give a full-scale and effective pattern of anti-tumor immune responses.
Controlling droplet splashing and bouncing by dielectrowetting
Authors: Quetzeri-Santiago M. A. , Castrejón-Pita J. R. , Castrejón-Pita A. A.
Published: November 2021

Stopping droplets from bouncing or splashing after impacting a surface is fundamental in preventing cross-contamination, and the spreading of germs and harmful substances. Here we demonstrate that dielectrowetting can be applied to actively control the dynamics of droplet impact. Moreover, we demonstrate that dielectrowetting can be used to prevent droplet bouncing and suppress splashing. In our experiments, the dielectrowetting effect is produced on a flat substrate by two thin interdigitated electrodes connected to an alternating current potential. Our findings show that the strength of the electric potential can affect the dynamic contact angle and regulate the spreading, splashing and receding dynamics at the right time-scales.
Evaluation of cochlear implant electrode scalar position by 3 Tesla magnet resonance imaging
Authors: Riemann C. , Scholtz L. U. , Gehl H. B. , Schürmann M. , Sudhoff H. , Todt I.
Published: October 2021

The estimation of scalar electrode position is a central point of quality control during the cochlear implant procedure. Ionic radiation is a disadvantage of commonly used radiologic estimation of electrode position. Recent developments in the field of cochlear implant magnets, implant receiver magnet position, and MRI sequence usage allow the postoperative evaluation of inner ear changes after cochlear implantation. The aim of the present study was to evaluate the position of lateral wall and modiolar cochlear implant electrodes using 3 T MRI scanning. In a prospective study, we evaluated 20 patients (10× Med-El Flex 28; 5× HFMS AB and 5× SlimJ AB) with a 3 T MRI and a T2 2D Drive MS sequence (voxel size: 0.3 × 0.3 × 0.9 mm) for the estimation of the intracochlear position of the cochlear implant electrode. In all cases, MRI allowed a determination of the electrode position in relation to the basilar membrane. This observation made the estimation of 19 scala tympani electrode positions and a single case of electrode translocation possible. 3 T MRI scanning allows the estimation of lateral wall and modiolar electrode intracochlear scalar positions.
Biomimetic cellulose-based superabsorbent hydrogels for treating obesity
Authors: Madaghiele Marta , Demitri Christian , Surano Ivo , Silvestri Alessandra , Vitale Milena , Panteca Eliana , Zohar Yishai , Rescigno Maria , Sannino Alessandro
Published: November 2021

In the treatment of obesity, nutritional and behavioral modifications are difficult to implement and maintain. Since vegetable consumption is a fundamental part of many dietary interventions and daily nutrient requirements, we developed a novel cellulose-based superabsorbent hydrogel (CB-SAH) platform, inspired by the composition and mechanical properties of raw vegetables, as a mechanobiological therapy. The CB-SAHs properties were studied in a simulated gastrointestinal environment, while their impact on gut tissue was investigated by an ex vivo organ culture (EVOC) model. Functional fibers and raw vegetables were used as reference. CB-SAHs demonstrated orders of magnitude higher elasticity in comparison to the tested functional fibers, however performed similar to the tested raw vegetables. Notably, the biomimetic CB-SAHs with elasticity levels similar to raw vegetables showed benefits in preserving and regulating the gut tissue in the EVOC model. Non-systemic oral mechanotherapeutics based on this technology were advanced through clinical studies, with a first product cleared as an aid for weight management in the US and Europe.
Nematode CDC-37 and DNJ-13 form complexes and can interact with HSP-90
Authors: Schmauder Lukas , Absmeier Eva , Bepperling Alexander , Barkovits Katalin , Marcus Katrin , Richter Klaus
Published: November 2021

The molecular chaperones Hsc70 and Hsp90 are required for proteostasis control and specific folding of client proteins in eukaryotic and prokaryotic organisms. Especially in eukaryotes these ATP-driven molecular chaperones are interacting with cofactors that specify the client spectrum and coordinate the ATPase cycles. Here we find that a Hsc70-cofactor of the Hsp40 family from nematodes, DNJ-13, directly interacts with the kinase-specific Hsp90-cofactor CDC-37. The interaction is specific for DNJ-13, while DNJ-12 another DnaJ-like protein of C. elegans, does not bind to CDC-37 in a similar manner. Analytical ultracentrifugation is employed to show that one CDC-37 molecule binds to a dimeric DNJ-13 protein with low micromolar affinity. We perform cross-linking studies with mass spectrometry to identify the interaction site and obtain specific cross-links connecting the N-terminal J-domain of DNJ-13 with the N-terminal domain of CDC-37. Further AUC experiments reveal that both, the N-terminal part of CDC-37 and the C-terminal domain of CDC-37, are required for efficient interaction. Furthermore, the presence of DNJ-13 strengthens the complex formation between CDC-37 and HSP-90 and modulates the nucleotide-dependent effects. These findings on the interaction between Hsp40 proteins and Hsp90-cofactors provide evidence for a more intricate interaction between the two chaperone systems during client processing.
Possible interplay between estrogen and the BAFF may modify thyroid activity in Graves’ disease
Authors: Cheng Chao-Wen , Fang Wen-Fang , Tang Kam-Tsun , Lin Jiunn-Diann
Published: November 2021

A link between sex hormones and B-cell activating factor (BAFF), a crucial immunoregulator of autoimmune thyroid disease (AITD), may exist. The study aimed to elucidate the role of estrogen (E2) in regulating BAFF in Graves' disease (GD). In clinical samples, serum BAFF levels were higher in women than in men in both the GD and control groups. serum BAFF levels were associated with thyroid-stimulating hormone receptor antibody levels and thyroid function only in women and not in men. BAFF transcripts in peripheral blood mononuclear cells were higher in women with GD than those in the control group. Among GD patients with the AA genotype of rs2893321, women had higher BAFF transcripts and protein levels than men. In the progression of a spontaneous autoimmune thyroiditis (SAT) murine model, NOD.H-2h4, serum free thyroxine and BAFF levels were higher in female than in male mice. Moreover, exogenous E2 treatment increased serum BAFF levels in male SAT mice. Meanwhile, female SAT mice exhibited higher thyroid BAFF transcripts levels than either the E2-treated or untreated male SAT mouse groups. Our results showed that E2 might be implicated in modulating BAFF expression, and support a possible mechanism for the higher incidence of AITD in women.
A cryo-TSEM with temperature cycling capability allows deep sublimation of ice to uncover fine structures in thick cells
Authors: Usukura Jiro , Narita Akihiro , Matsumoto Tomoharu , Usukura Eiji , Sunaoshi Takeshi , Watanabe Syunya , Tamba Yusuke , Nagakubo Yasuhira , Mizuo Takashi , Azuma Junzo , Osumi Masako , Nimura Kazutaka , Tamochi Ryuichiro , Ose Yoichi
Published: November 2021

The scanning electron microscope (SEM) has been reassembled into a new type of cryo-electron microscope (cryo-TSEM) by installing a new cryo-transfer holder and anti-contamination trap, which allowed simultaneous acquisition of both transmission images (STEM images) and surface images (SEM images) in the frozen state. The ultimate temperatures of the holder and the trap reached − 190 °C and − 210 °C, respectively, by applying a liquid nitrogen slush. The STEM images at 30 kV were comparable to, or superior to, the images acquired with conventional transmission electron microscope (100 kV TEM) in contrast and sharpness. The unroofing method was used to observe membrane cytoskeletons instead of the frozen section and the FIB methods. Deep sublimation of ice surrounding unroofed cells by regulating temperature enabled to emerge intracellular fine structures in thick frozen cells. Hence, fine structures in the vicinity of the cell membrane such as the cytoskeleton, polyribosome chains and endoplasmic reticulum (ER) became visible. The ER was distributed as a wide, flat structure beneath the cell membrane, forming a large spatial network with tubular ER.
Treatment of Pauwels type III femoral neck fracture with medial femoral neck support screw: a biomechanical and clinical study
Authors: Gao Zhichao , Wang Mei , Shen Baojie , Chu Xiaodong , Ruan Di
Published: November 2021

A femoral neck fracture is currently one of the most common types of fracture in clinical practice. The incidence continues to increase due to traffic accidents, trauma, and osteoporosis. This research includes a biomechanical study and a clinical retrospective study. In the biomechanical studies, three groups’ effects (Control Group: 3CCS, DHS group, and study Group: 3CCS + mFNSS group) were compared by vertical compression tests, torsion tests, and fatigue tests. All the data were collected and analyzed. We subsequently performed a retrospective analysis of 131 patients with femoral neck fractures. The operative time, intraoperative blood loss, quality of postoperative fracture reduction, and follow-up observation of fracture healing, screw retreatment rates and fixation failure rates, as well as femoral head necrosis rates and hip function in two groups with 3CCS and 3CCS + mFNSS were compared. By the biomechanical study, we found that 3CCS + Mfnss group were biomechanically superior to 3CCS group and superior to the DHS group in terms of resistance to torsion. However, it was less effective than the DHS group in compressive strength and fatigue resistance. In terms of clinical application, 3CCS + mFNSS group was found to have lower screw retreatment rates and femoral head necrosis rates, and to have better fracture healing rates than group with 3CCS, indicating that medial support screws can effectively resist the vertical shear forces of fracture ends and promote the stability and healing of fracture ends, as well as to reduce the incidence of postoperative complications.
Roles of metal ions in the selective inhibition of oncogenic variants of isocitrate dehydrogenase 1
Authors: Liu Shuang , Abboud Martine I. , John Tobias , Mikhailov Victor , Hvinden Ingvild , Walsby-Tickle John , Liu Xiao , Pettinati Ilaria , Cadoux-Hudson Tom , McCullagh James S. O. , Schofield Christopher J.
Published: November 2021

Cancer linked isocitrate dehydrogenase (IDH) 1 variants, notably R132H IDH1, manifest a ‘gain-of-function’ to reduce 2-oxoglutarate to 2-hydroxyglutarate. High-throughput screens have enabled clinically useful R132H IDH1 inhibitors, mostly allosteric binders at the dimer interface. We report investigations on roles of divalent metal ions in IDH substrate and inhibitor binding that rationalise this observation. Mg2+/Mn2+ ions enhance substrate binding to wt IDH1 and R132H IDH1, but with the former manifesting lower Mg2+/Mn2+KMs. The isocitrate-Mg2+ complex is the preferred wt IDH1 substrate; with R132H IDH1, separate and weaker binding of 2-oxoglutarate and Mg2+ is preferred. Binding of R132H IDH1 inhibitors at the dimer interface weakens binding of active site Mg2+ complexes; their potency is affected by the Mg2+ concentration. Inhibitor selectivity for R132H IDH1 over wt IDH1 substantially arises from different stabilities of wt and R132H IDH1 substrate-Mg2+ complexes. The results reveal the importance of substrate-metal ion complexes in wt and R132H IDH1 catalysis and the basis for selective R132H IDH1 inhibition. Further studies on roles of metal ion complexes in TCA cycle and related metabolism, including from an evolutionary perspective, are of interest.
EGFR Regulates the Hippo pathway by promoting the tyrosine phosphorylation of MOB1
Authors: Ando Toshinori , Arang Nadia , Wang Zhiyong , Costea Daniela Elena , Feng Xiaodong , Goto Yusuke , Izumi Hiroki , Gilardi Mara , Ando Kazuyo , Gutkind J. Silvio
Published: November 2021

The Hippo pathway is frequently dysregulated in cancer, leading to the unrestrained activity of its downstream targets, YAP/TAZ, and aberrant tumor growth. However, the precise mechanisms leading to YAP/TAZ activation in most cancers is still poorly understood. Analysis of large tissue collections revealed YAP activation in most head and neck squamous cell carcinoma (HNSCC), but only 29.8% of HNSCC cases present genetic alterations in the FAT1 tumor suppressor gene that may underlie persistent YAP signaling. EGFR is overexpressed in HNSCC and many other cancers, but whether EGFR controls YAP activation is still poorly understood. Here, we discover that EGFR activates YAP/TAZ in HNSCC cells, but independently of its typical signaling targets, including PI3K. Mechanistically, we find that EGFR promotes the phosphorylation of MOB1, a core Hippo pathway component, and the inactivation of LATS1/2 independently of MST1/2. Transcriptomic analysis reveals that erlotinib, a clinical EGFR inhibitor, inactivates YAP/TAZ. Remarkably, loss of LATS1/2, resulting in aberrant YAP/TAZ activity, confers erlotinib resistance on HNSCC and lung cancer cells. Our findings suggest that EGFR-YAP/TAZ signaling plays a growth-promoting role in cancers harboring EGFR alterations, and that inhibition of YAP/TAZ in combination with EGFR might be beneficial to prevent treatment resistance and cancer recurrence.
Antisense oligonucleotide activity in tumour cells is influenced by intracellular LBPA distribution and extracellular vesicle recycling
Authors: Kapustin Alexander N. , Davey Paul , Longmire David , Matthews Carl , Linnane Emily , Rustogi Nitin , Stavrou Maria , Devine Paul W. A. , Bond Nicholas J. , Hanson Lyndsey , Sonzini Silvia , Revenko Alexey , MacLeod A. Robert , Ross Sarah , Chiarparin Elisabetta , Puri Sanyogitta
Published: November 2021

Next generation modified antisense oligonucleotides (ASOs) are commercially approved new therapeutic modalities, yet poor productive uptake and endosomal entrapment in tumour cells limit their broad application. Here we compare intracellular traffic of anti KRAS antisense oligonucleotide (AZD4785) in tumour cell lines PC9 and LK2, with good and poor productive uptake, respectively. We find that the majority of AZD4785 is rapidly delivered to CD63+late endosomes (LE) in both cell lines. Importantly, lysobisphosphatidic acid (LBPA) that triggers ASO LE escape is presented in CD63+LE in PC9 but not in LK2 cells. Moreover, both cell lines recycle AZD4785 in extracellular vesicles (EVs); however, AZD4785 quantification by advanced mass spectrometry and proteomic analysis reveals that LK2 recycles more AZD4785 and RNA-binding proteins. Finally, stimulating LBPA intracellular production or blocking EV recycling enhances AZD4785 activity in LK2 but not in PC9 cells thus offering a possible strategy to enhance ASO potency in tumour cells with poor productive uptake of ASOs.
Rational design of allosterically regulated toehold mediated strand displacement circuits for sensitive and on-site detection of small molecule metabolites
Authors: Lin Haosi , Rodríguez-Serrano Alan F. , Hsing I-Ming
Published: October 2021

In this paper we established an allosterically-regulated toehold-mediated strand displacement circuit enhanced by a two-cycle design. This system allowed one-step, rapid uric acid detection in user-friendly non-invasive saliva samples.
Use of 3D domain swapping in constructing supramolecular metalloproteins
Authors: Hirota Shun , Mashima Tsuyoshi , Kobayashi Naoya
Published: October 2021

Many metalloproteins can undergo 3D domain swapping. This future article summarizesin vitroandin vivoformation of supramolecular metalloproteins through 3D domain swapping.
Systematic assessment of DFT methods for geometry optimization of mononuclear platinum-containing complexes
Authors: Debefve Louise M. , Pollock Christopher J.
Published: October 2021

DFT methods for the geometry optimization of Pt-containing complexes were investigated and an optimization protocol capable of reproducing the experimental geometries of a wide variety of complexes was determined.
Size and crystal symmetry breaking effects on negative thermal expansion in ScF3 nanostructures
Authors: Wang Chunyan , Chang Dahu , Wang Junfei , Gao Qilong , Zhang Yinuo , Niu Chunyao , Liu Chengyan , Jia Yu
Published: October 2021

New membrane vibration and surface symmetry breaking effects determine the negative coefficient of thermal expansion at the nanoscale.
A complete ab initio thermodynamic and kinetic catalogue of the defect chemistry of hematite α-Fe2O3, its cation diffusion, and sample donor dopants
Authors: Shousha Shehab , Khalil Sarah , Youssef Mostafa
Published: October 2021

This paper studies comprehensively the defect chemistry of and cation diffusion in α-Fe2O3.
Conformational dynamics and energetics of viral RNA recognition by lab-evolved proteins
Authors: Kumar Amit , Vashisth Harish
Published: October 2021

The conserved and structured elements in viral RNA genomes interact with proteins to regulate various events in the viral life cycle and have become key targets for developing novel therapeutic approaches.
Thermally activated delayed fluorescence materials with aggregation-induced emission properties: a QM/MM study
Authors: Wei Zhuangzhuang , Lin Shiyun , Zuo Tao , Li Qikai , Jiang Shanshan , Qi Fangfang , Yang Mingxue , Gu Junjing , Meng Lingyi , Lu Can-Zhong
Published: October 2021

Based on the quantum mechanics and molecular mechanics (QM/MM) method, theoretical studies reveal the aggregation effect induced TADF mechanism for a 4,4′-(6-(9,9-dimethylacridine-10(9H)-yl)quinoline-2,3-dibenzonitrile (DMAC-CNQ) emitter.
Enhanced adsorption performance for aromatic sulfur compounds over a hierarchical structured AgX zeolite
Authors: Jiang Kunhong , Li Zhenyu , Zheng Zexuan , Li Jiefei , Qi Xingyue , Zhou Jian , Wei Hang , He Yalin , Xue Mei , Chu Haibin
Published: November 2021

Schematic illustration of the design for the synthesis of hierarchical-AgX. (a) Sequential acid–alkali treatments of NaX; (b) silver supported on original NaX; (c) silver supported on hierarchical NaX after sequential acid–alkali treatments.
In situ decoration of La(OH)3 on polyethyleneimine-linked dendritic mesoporous silica nanospheres targeting at efficient and simultaneous removal of phosphate and Congo red
Authors: Huang Weiya , Tan Ying , Zhang Chuanqun , Zhou Qin , Yang Kai , Zhang Yongcai , Li Dan , Dionysiou Dionysios D.
Published: November 2021

La(OH)3 and polyethyleneimine functionalized 3D dendritic mesoporous silica spheres as novel porous adsorbents efficiently removed phosphate and Congo red. In P/CR binary solution, the formed LaPO4 promoted the simultaneous adsorptive removal of CR.
Computationally driven design of an artificial metalloenzyme using supramolecular anchoring strategies of iridium complexes to alcohol dehydrogenase
Authors: Martins Floriane L. , Pordea Anca , Jäger Christof M.
Published: October 2021

A new artificial metalloenzyme for the transfer hydrogenation reaction of cyclic imines following a supramolecular anchoring strategy of the Ir-based metal catalyst to a natural alcohol hydrogenase supported by computational modelling from the start.
A frugal microfluidic pump
Authors: Fajrial Apresio K. , Vega Adam , Shakya Gazendra , Ding Xiaoyun
Published: October 2021

A frugal microfluidic pump is a fluid actuation system that is Fully self-sufficient, RobUst, Gravity-Assisted, and Low-cost (FRUGAL). The pump can generate pressure for versatile microfluidic applications.
Effects of transition metal cations and temperature on the luminescence of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate anion
Authors: Gurskiy Stanislav I. , Maklakov Sergey S. , Dmitrieva Natalia E. , Tafeenko Viktor A.
Published: October 2021

The luminescence intensity of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-olate anion (HA−) drops to zero upon complexation with transition metal cations, and reversibly drops by 6–7 times upon heating from 27 up to 123 °C.
Rare earth material CeO2 modified CoS2 nanospheres for efficient photocatalytic hydrogen evolution
Authors: Ma Lijun , Xu Jing , Zhang Juan , Liu Zhenlu , Liu Xinyu
Published: October 2021

The construction of a heterojunction promoted the separation of electrons and holes, so that CeO2/CoS2 exhibited an excellent hydrogen evolution performance.
Improving the emission quantum yield in dinuclear Eu(iii) and Tb(iii) complexes with 2-fluorobenzoate
Authors: Tubau Ànnia , Rodríguez Laura , Lázaro Ariadna , Vicente Ramon , Font-Bardía Mercè
Published: October 2021

Luminescence studies performed on Ln(iii) compounds with the formula [Ln2(μ2-2FBz)4(2FBz)2(H-2FBz)2(H2O)2] for Ln = Eu (1) and Tb (2) indicate improved luminescence emission.
CuCo2O4 nanoparticles wrapped in a rGO aerogel composite as an anode for a fast and stable Li-ion capacitor with ultra-high specific energy
Authors: Sajjad Muhammad , Javed Muhammad Sufyan , Imran Muhammad , Mao Zhiyu
Published: October 2021

To meet practical application requirements, high specific energy and specific power and excellent cyclability are highly desired.
Mechanical and electronic properties of boron nitride nanosheets with graphene domains under strain
Authors: Lima J. S. , Oliveira I. S. , Azevedo S. , Freitas A. , Bezerra C. G. , Machado L. D.
Published: October 2021

We investigate the mechanical and electronic properties of hBN nanosheets with graphene domains under strain. We find that the structures withstand large strain values and present highly adjustable band gaps, ranging from 1.0 to 3.5 eV.
Quantification of silver in several samples using a new ionophore polymer membrane as an optical sensor
Authors: El-Feky Hesham H. , Askar Abdelrazek M. , Amin Alaa S.
Published: November 2021

Growing concerns about the possible toxicity of silver to aquatic organisms, bacteria and humans have led to newly issued regulations by the United States Environmental Protection Agency and the Food and Drug Administration regarding the use of silver.
Layered Si–Ti oxide thin films with tailored electrical and optical properties by catalytic tandem MLD-ALD
Authors: Kalderon Boaz , Sarkar Debabrata , Killi Krushnamurty , Danzig Tamuz , Azulay Doron , Millo Oded , Cohen-Taguri Gili , Yerushalmi Roie
Published: October 2021

Layer-by-layer deposition of Si–Ti layered oxide thin films are obtained using catalytic tandem M/ALD methodology. The films exhibit optical (RI) and electrical conductivities by selecting the MLD to ALD proportion in the super cycle.
Dual-purpose high-efficiency air filter paper loaded with reactive zirconium hydroxide for the filtration aerosols and degradation of chemical warfare agents
Authors: Huang Xingqi , Zhao Ting , Zhang Hongpeng , Yan Chunxiao , Sha Jiulong , Tang Huamin , Zhu Haiyan , Wu Yue
Published: November 2021

Dual-functional air filter paper with addition of Zr(OH)4was prepared by an intra-pulp addition method, whose filtration performance is maintained while the decontamination performance is added for HD and VX.
Penicacids H–J, three new mycophenolic acid derivatives from the marine-derived fungus Rhizopus oryzae
Authors: Pilevneli Amine Dilara , Ebada Sherif S. , Kaşkatepe Banu , Konuklugil Belma
Published: November 2021

Penicacids H–J (1–3), three new natural MPA derivatives, were purified from a marine-derived fungus, Rhizopus oryzae, together with two known naphtho-γ-pyrone dimers, asperpyrone A (4) and dianhydroaurasperone C (5).
Highly improved performance of a film-based fluorescent sensor via a nanomesh scaffold strategy
Authors: Liu Quan , Liu Meng , Li Dong , Li Kun , Xu Haitao , Lu Jiufu , Shao Xianzhao , Liu Taihong
Published: November 2021

A simple and effective nanomesh scaffold strategy for preparing the film-based fluorescent sensor was developed.
Gradient-dynamics model for liquid drops on elastic substrates
Authors: Henkel Christopher , Snoeijer Jacco H. , Thiele Uwe
Published: October 2021

The presented simple long-wave gradient-dynamics model for soft wetting recovers the double transition for static drops and spreading laws on elastic substrates. It allows one to consider the influence of substrate softness on coarsening.
Exploiting the flexibility of the pyrochlore composition for acid-resilient iridium oxide electrocatalysts in proton exchange membranes
Authors: Burnett David L. , Petrucco Enrico , Kashtiban Reza J. , Parker Stewart F. , Sharman Jonathan D. B. , Walton Richard I.
Published: November 2021

Iridate pyrochlores formed by hydrothermal synthesis provide robust OER catalysts for membrane electrode assemblies, giving effective oxygen evolution with minimal carbon corrosion.
On the role of surfaces and interfaces in electrochemical performance and long-term stability of nanostructured LSC thin film electrodes
Authors: Develos-Bagarinao Katherine , Celikbilek Ozden , Budiman Riyan A. , Kerherve Gwilherm , Fearn Sarah , Skinner Stephen J. , Kishimoto Haruo
Published: November 2021

Nanostructured La0.6Sr0.4CoO3−δ(LSC) thin film electrodes with higher porosities exhibit better electrochemical performance and long-term stability owing to enhanced surface exchange properties and suppressed cation diffusion across interfaces.
Bridged and fused triazolic energetic frameworks with an azo building block towards thermally stable and applicable propellant ingredients
Authors: Yu Qiong , Li Fengsheng , Yin Ping , Pang Siping , Staples Richard J. , Shreeve Jean'ne M.
Published: October 2021

Smart assembly of an azo bridge into trinitromethyl triazoles, and controllable azo-trinitromethyl cyclization yield a novel green high-density energetic oxidizer and two fused nitrotriazolones with excellent thermal stabilities.
Construction of a gradient-type 2D/3D perovskite structure for subsurface passivation and energy-level alignment of an MAPbI3 film
Authors: Liu Yang , Lu Ruixue , Zhang Jiafeng , Guo Xin , Li Can
Published: November 2021

A gradient-type 2D/3D perovskite structure with both small and large n value 2D perovskites was constructed to passivate both surface and subsurface defects, outperforming the traditional bilayered 2D/3D perovskite structure for photovoltaics.
Macroporous microspheres consisting of thickness-controlled bamboo-like CNTs and flower-like Co3O4 nanoparticles as highly efficient bifunctional oxygen electrocatalysts for Zn–air batteries
Authors: Kim Sun Jun , Hong Jeong Hoo , Lee Jung-Kul , Kang Yun Chan
Published: October 2021

Co3O4 nanoparticle-decorated porous hollow microspheres composed of N-doped CNTs are synthesized by spray pyrolysis. When tested as electrocatalysts for a Zn–air battery cathode, they exhibit superior bifunctional oxygen catalytic activities.
Panchromatic terthiophenyl-benzodithiophene conjugated porphyrin donor for efficient organic solar cells
Authors: Tang Wei , Xie Liuping , Liu Zhixin , Zeng Jie , Zhou Xuan , Bi Pengqing , Tang Wencheng , Yan Lei , Wong Wai-Kwok , Zhu Xunjin , Hao Xiaotao , Zhu Weiguo , Wang Xingzhu
Published: November 2021

A panchromatic terthiophenyl-benzodithiophene conjugated porphyrin donor for efficient organic solar cells exhibited an optimized PCE of 8.59%.
Splendid cryogenic optical thermometry and rewritable photomemory based on the up-conversion luminescence of K0.5Bi0.5TiO3: Er/In ceramic
Authors: Wang Yuzhen , Wang Yanan , Ma Chaoyang , Li Yanbin , Zhao Chong , Ye Wanggui , Wen Zicheng , Yuan Xuanyi , Cao Yongge
Published: October 2021

Up-conversion luminescence of ceramic K0.5Bi0.5TiO3: Er/In can integrate applications on cryogenic optical thermometry and rewritable photomemory.
The sensing mechanism of pristine and transition metals doped Zn12O12, Sn12O12 and Ni12O12 nanocages towards NH3 and PH3: a DFT study
Authors: Li Yuanchao , Li Xin , Xu Yanling
Published: November 2021

Zn12O12, Sn12O12 and Ni12O12 nanocages exhibit excellent sensitivity toward NH3 with respect to PH3. In addition, Ti doped Zn12O12 and Sn12O12 can be considered as potential candidates for NH3 detection.
3D hydrogel models of the neurovascular unit to investigate blood–brain barrier dysfunction
Authors: Potjewyd Geoffrey , Kellett Katherine A.B. , Hooper Nigel M.
Published: November 2021

The neurovascular unit (NVU), consisting of neurons, glial cells, vascular cells (endothelial cells, pericytes and vascular smooth muscle cells (VSMCs)) together with the surrounding extracellular matrix (ECM), is an important interface between the peripheral blood and the brain parenchyma. Disruption of the NVU impacts on blood–brain barrier (BBB) regulation and underlies the development and pathology of multiple neurological disorders, including stroke and Alzheimer’s disease (AD). The ability to differentiate induced pluripotent stem cells (iPSCs) into the different cell types of the NVU and incorporate them into physical models provides a reverse engineering approach to generate human NVU models to study BBB function. To recapitulate the in vivo situation such NVU models must also incorporate the ECM to provide a 3D environment with appropriate mechanical and biochemical cues for the cells of the NVU. In this review, we provide an overview of the cells of the NVU and the surrounding ECM, before discussing the characteristics (stiffness, functionality and porosity) required of hydrogels to mimic the ECM when incorporated into in vitro NVU models. We summarise the approaches available to measure BBB functionality and present the techniques in use to develop robust and translatable models of the NVU, including transwell models, hydrogel models, 3D-bioprinting, microfluidic models and organoids. The incorporation of iPSCs either without or with disease-specific genetic mutations into these NVU models provides a platform in which to study normal and disease mechanisms, test BBB permeability to drugs, screen for new therapeutic targets and drugs or to design cell-based therapies.
Valve-seat components in a diesel engine: a tribological approach to limit wear
Authors: Crozet Martial , Berthier Yves , Saulot Aurélien , Jones David , Bou-Saïd Benyebka
Published: October 2021

Within diesel engines, the valve-seat contact is one of the few non-lubricated contacts which is subjected to significant degradation. This degradation is put in evidence by material removal at the intake valve. The material pull out is promoted by the replication of combustion cycles (500 million) and severe operating conditions (pressure 18 MPa). The wear can lead to gas leakage and engine failure. The target of this work was to identify the main parameters affecting this wear. Our approach was based on the tribological triplet and material flows within the contact involving both numerical and experimental approaches. A dynamic model and a valvetrain test bench showed that the wear flows could be activated by the architecture of the valve opening system. Consequently, the limitation of these flows can be obtained by controlling the “global” geometry of the system and therefore without modifying the properties of the materials. In the same way, a finite element model of the local response of the seat-valve contact highlighted the impact of the “local” geometry of the contact. The change of this geometry is a lever to limit the shearing forces which reduces the tearing of the particles and therefore wear. Finally, tests carried out on the engine and on a specifically adapted test bench completed the understanding of degradation mechanisms (source flow, wear flow, etc.). Morphological interpretations of worn surfaces in terms of material flows allowed the understanding of the build-up stages of a protective layer. One solution to promote this internal flow is the use of pollutants from combustion. For example, the burned oil in contact, which isa prioriharmful, becomes an opportunity here. In addition, un-burned hydrocarbons from the combustion of biodiesel help to protect the contact.
“Endoscopy Salon” for Controlling Respiratory Droplet Spreading During Endoscopic Procedure
Authors: Kasemsiri Pornthep , Vatanasapt Patravoot , Naruekon Jakkree , Peintong Chamsai , Chayaopas Nichtima , Thongrong Cattleya , Laohakittikul Chanticha , Teeramatwanich Watchareeporn , Laohasiriwong Supawan , Ratanaanekchai Teeraporn , Tongchai Panwad
Published: October 2021

Introduction Preventing droplet dispersal is an important issue for decreasing the coronavirus 2019 (COVID-19) transmission rate; numerous personal protective equipment (PPE) devices have been recently developed for this.

Objective To evaluate the effectiveness of a novel PPE device to prevent droplet spread during nasal endoscopic and fiber optic laryngoscopic examination and postuse equipment cleaning technique.

Methods The “endoscopy salon” was created with a hooded salon hair dryer, plastic sheath, and silicone nipple. Comparison fluorescence dye dispersal from simulating forceful coughing with and without using the “endoscopy salon” was conducted to assess the droplet spread control. The effects of heat produced in the “endoscopy salon” and disinfection cleaning were also evaluated.

Results Fluorescent dye droplet spread from a mannequin's mouth without using the “endoscopy salon” to care providers' clothes and the floor surrounding mannequin, whereas no dye droplets spread out when using the “endoscopy salon”. The maximal temperature observed in the hair dryer was 56.3°C. During the cleaning process, when a plastic bag was attached to the hair dryer's hood to create a closed system, the temperature increased to 79.8 ± 3.1 °C. These temperatures eliminated four test organism cultures during equipment disinfection.

Conclusion This novel “endoscopy salon” device prevented respiratory droplet spread and eliminated infectious organisms during postuse equipment cleaning.
Dynamic Hemostasis and Fibrinolysis Assays in Intensive Care COVID-19 Patients and Association with Thrombosis and Bleeding—A Systematic Review and a Cohort Study
Authors: Hvas Christine Lodberg , Larsen Julie Brogaard , Adelborg Kasper , Christensen Steffen , Hvas Anne-Mette
Published: October 2021

Patients admitted to the intensive care unit (ICU) with coronavirus disease 2019 (COVID-19), the infectious pathology caused by severe acute respiratory syndrome coronavirus 2, have a high risk of thrombosis, though the precise mechanisms behind this remain unclarified. A systematic literature search in PubMed and EMBASE identified 18 prospective studies applying dynamic coagulation assays in ICU COVID-19 patients. Overall, these studies revealed normal or slightly reduced primary hemostasis, prolonged clot initiation, but increased clot firmness. Thrombin generation assay parameters generally were equivalent to the control groups or within reference range. Fibrinolysis assays showed increased clot resistance. Only six studies related their findings to clinical outcome. We also prospectively included 51 COVID-19 patients admitted to the ICU. Blood samples were examined on day 1, 3–4, and 7–8 with platelet function tests, rotational thromboelastometry (ROTEM), in vivo and ex vivo thrombin generation, and clot lysis assay. Data on thrombosis, bleeding, and mortality were recorded during 30 days. Primary hemostasis was comparable to healthy controls, but COVID-19 patients had longer ROTEM-clotting times and higher maximum clot firmness than healthy controls. Ex vivo thrombin generation was similar to that of healthy controls while in vivo thrombin generation markers, thrombin–antithrombin (TAT) complex, and prothrombin fragment 1 + 2 (F1 + 2) were higher in ICU COVID-19 patients than in healthy controls. Impaired fibrinolysis was present at all time points. TAT complex and F1 + 2 levels were significantly higher in patients developing thrombosis (n = 16) than in those without. In conclusion, only few previous studies employed dynamic hemostasis assays in COVID-19 ICU-patients and failed to reveal a clear association with development of thrombosis. In ICU COVID-19 patients, we confirmed normal platelet aggregation, while in vivo thrombin generation was increased and fibrinolysis decreased. Thrombosis may be driven by increased thrombin formation in vivo.
Multi-frequency sound energy harvesting using Helmholtz resonators with irradiated cross-linked polypropylene ferroelectret films
Authors: Song Chao , Zhao Jinfeng , Ma Xingchen , Zhang Mi , Yuan Weitao , Yang Fan , Wang Zefeng , Zhang Xiaoqing , Pan Yongdong
Published: November 2021

Harvesting multi-frequency sound energy from environmental noise is a meaningful topic to supply energy for potential devices. In this work, we constructed an array of Helmholtz resonators (HRs) with cross-linked polypropylene (IXPP) ferroelectret films on the inner walls of HR cavities, whose resonant frequencies range from 300 to 800 Hz and quasi-static piezoelectric coefficient d33 is 230 pC/N. The energy harvesting performance of IXPP films is investigated, both theoretically and experimentally, in a single HR with various sizes, showing the high energy conversion capability close to the resonant frequencies of HRs, e.g., 337, 375, 445, 522, 588, 661, 739, 782, and 795 Hz, in the experiment. By putting one, two, three, and four samples of nine different sized HRs in series connection in order, we measured the average output power of 3.16, 5.31, 7.36, and 8.66 nW at the resonant frequencies. It shows that the output power of IXPP films has been significantly improved at multiple frequencies by series connection of IXPP films. In parallel, the optimal electrical resistance increases in a quasilinear way compared to the number of HRs. These results are helpful for designing efficient sound energy harvesters in the broadband frequency range.
Transferable room-temperature single-photon emitters in hexagonal boron nitride grown by molecular beam epitaxy
Authors: Lyu Chao , Liu Fang , Zang Zhihao , Wang Tingting , Li Yanping , Xu Xiaolong , Wang Xinqiang , Ye Yu
Published: November 2021

The solid-state single-photon source is the core of applications such as quantum cryptography, quantum sensing, and quantum computing. Recently, the point defects in two-dimensional (2D) hexagonal boron nitride (h-BN) have become excellent candidates for next-generation single-photon sources due to their chemical and physical stability and ultra-high brightness at room temperature. The 2D layered structure of h-BN allows the single-photon emitters (SPEs) in it to have high photon extraction efficiency and be integrated into photonic circuits easily. However, most of the SPEs found in h-BN flakes are present at the edges or wrinkles. Here, we report on the room-temperature SPEs in h-BN film grown by molecular beam epitaxy followed by a high-temperature post-annealing process and their deterministic transfer. Using the all-dry viscoelastic stamping method, the h-BN film grown on the Al2O3 substrate can be transferred to other substrates. The transferred SPEs are discretely distributed among the continuous h-BN flakes, and the SPE density is as high as ∼0.17 μm−2. After identification, the determined SPE can be deterministically transferred to other structures by the all-dry transfer method. The deterministic transfer of SPEs distributed on the h-BN flakes promises the potential to integrate SPEs into many quantum technology applications.
A Ka-band coaxial transit time oscillator with a focusing cathode
Authors: Song Lili , Gao Xingfu , He Juntao , Ling Junpu , Wang Lei , Xu Weili
Published: October 2021

A low guiding magnetic field facilitates the compactness of high power microwave sources, thus making it more practical. In order to reduce the guiding magnetic field, a focusing cathode is introduced in a Ka-band coaxial transit time oscillator in this paper. Based on the focusing cathode with a large impedance (>100 Ω) coaxial structure, a particle-in-cell simulation is conducted. When the diode voltage is 480 kV and the beam current is 3.62 kA, a microwave with an average power of 800 MW at 31.667 GHz is obtained under a guiding magnetic field of 0.5 T, the corresponding conversion efficiency is 46%, and the saturation time is 25 ns. Meanwhile, the maximum EZ field in the diode region is 350 kV/cm; thus, electron emission beyond the cathode region is avoided. When the guiding magnetic field is 0.5 T and the voltage varies in the range of 430–510 kV, the conversion efficiency is greater than 40%. In addition, when the voltage stays at 480 kV and the guiding magnetic field is in the range of 0.45–1.0 T, the conversion efficiency is also greater than 40%.
Mapping active strain using terahertz metamaterial laminates
Authors: Khatib Omar , Tyler Talmage , Padilla Willie J. , Jokerst Nan M. , Everitt Henry O.
Published: November 2021

The ability to image strain fields in composite materials is an indispensable necessity for structural health monitoring. Embedded electromagnetic metamaterials sensitive to applied stresses and operating in the terahertz regime have been proposed as a solution, but they have traditionally relied on slight amplitude or frequency shifts of their terahertz spectral resonance relative to a presumably unchanging, unstrained reference spectral map. Here, we demonstrate a facile, reference-free imaging technique to map the currently active local strain throughout a composite structure using a reversible passive terahertz metamaterial laminate with a tailored polarimetric signature. Only two orthogonal polarizations and a few frequencies are required to measure this strong terahertz response, from which the local strain environment may be rapidly and quantitatively mapped over large areas.