bluuebunny/crossref_metadata_2025 huggingface dataset:
Accelerated mapping of electronic density of states patterns of metallic nanoparticles via machine-learning
Authors: Bang Kihoon , Yeo Byung Chul , Kim Donghun , Han Sang Soo , Lee Hyuck Mo
Published: June 2021

Within first-principles density functional theory (DFT) frameworks, it is challenging to predict the electronic structures of nanoparticles (NPs) accurately but fast. Herein, a machine-learning architecture is proposed to rapidly but reasonably predict electronic density of states (DOS) patterns of metallic NPs via a combination of principal component analysis (PCA) and the crystal graph convolutional neural network (CGCNN). With the PCA, a mathematically high-dimensional DOS image can be converted to a low-dimensional vector. The CGCNN plays a key role in reflecting the effects of local atomic structures on the DOS patterns of NPs with only a few of material features that are easily extracted from a periodic table. The PCA-CGCNN model is applicable for all pure and bimetallic NPs, in which a handful DOS training sets that are easily obtained with the typical DFT method are considered. The PCA-CGCNN model predicts the R2 value to be 0.85 or higher for Au pure NPs and 0.77 or higher for Au@Pt core@shell bimetallic NPs, respectively, in which the values are for the test sets. Although the PCA-CGCNN method showed a small loss of accuracy when compared with DFT calculations, the prediction time takes just ~ 160 s irrespective of the NP size in contrast to DFT method, for example, 13,000 times faster than the DFT method for Pt147. Our approach not only can be immediately applied to predict electronic structures of actual nanometer scaled NPs to be experimentally synthesized, but also be used to explore correlations between atomic structures and other spectrum image data of the materials (e.g., X-ray diffraction, X-ray photoelectron spectroscopy, and Raman spectroscopy).
Development of a loop-mediated isothermal amplification assay for the detection of Tilletia controversa based on genome comparison
Authors: Sedaghatjoo Somayyeh , Forster Monika K. , Niessen Ludwig , Karlovsky Petr , Killermann Berta , Maier Wolfgang
Published: June 2021

Tilletia controversa causing dwarf bunt of wheat is a quarantine pathogen in several countries. Therefore, its specific detection is of great phytosanitary importance. Genomic regions routinely used for phylogenetic inferences lack suitable polymorphisms for the development of species-specific markers. We therefore compared 21 genomes of six Tilletia species to identify DNA regions that were unique and conserved in all T. controversa isolates and had no or limited homology to other Tilletia species. A loop-mediated isothermal amplification (LAMP) assay for T. controversa was developed based on one of these DNA regions. The specificity of the assay was verified using 223 fungal samples comprising 43 fungal species including 11 Tilletia species, in particular 39 specimens of T. controversa, 92 of T. caries and 40 of T. laevis, respectively. The assay specifically amplified genomic DNA of T. controversa from pure cultures and teliospores. Only Tilletia trabutii generated false positive signals. The detection limit of the LAMP assay was 5 pg of genomic DNA per reaction. A test performance study that included five laboratories in Germany resulted in 100% sensitivity and 97.7% specificity of the assay. Genomic regions, specific to common bunt (Tilletia caries and Tilletia laevis together) are also provided.
Ipomoeassin-F disrupts multiple aspects of secretory protein biogenesis
Authors: Roboti Peristera , O’Keefe Sarah , Duah Kwabena B. , Shi Wei Q. , High Stephen
Published: June 2021

The Sec61 complex translocates nascent polypeptides into and across the membrane of the endoplasmic reticulum (ER), providing access to the secretory pathway. In this study, we show that Ipomoeassin-F (Ipom-F), a selective inhibitor of protein entry into the ER lumen, blocks the in vitro translocation of certain secretory proteins and ER lumenal folding factors whilst barely affecting others such as albumin. The effects of Ipom-F on protein secretion from HepG2 cells are twofold: reduced ER translocation combined, in some cases, with defective ER lumenal folding. This latter issue is most likely a consequence of Ipom-F preventing the cell from replenishing its ER lumenal chaperones. Ipom-F treatment results in two cellular stress responses: firstly, an upregulation of stress-inducible cytosolic chaperones, Hsp70 and Hsp90; secondly, an atypical unfolded protein response (UPR) linked to the Ipom-F-mediated perturbation of ER function. Hence, although levels of spliced XBP1 and CHOP mRNA and ATF4 protein increase with Ipom-F, the accompanying increase in the levels of ER lumenal BiP and GRP94 seen with tunicamycin are not observed. In short, although Ipom-F reduces the biosynthetic load of newly synthesised secretory proteins entering the ER lumen, its effects on the UPR preclude the cell restoring ER homeostasis.
Maximizing the potential of aggressive mouse tumor models in preclinical drug testing
Authors: Elghetany M. Tarek , Ho Jia-Min , Shi-Qi Lois Hew , Karthik Sekar , Su Jack M. F. , Lin Qi , Du YuChen , Shen Jianhe , Chow Wing-Yuk , Lau Ching C. , Adesina Adekunle , Major Angela , Erdreich-Epstein Anat , Hui Kam-Man , Li Xiao-Nan , Teo Wan-Yee
Published: June 2021

Atypical teratoid rhabdoid tumor (ATRT) is an aggressive embryonal brain tumor among infants and young children. Two challenges exist for preclinical testing in ATRT. First, genetically quiet, ATRT is a difficult tumor to target molecularly. Tumor cells need to divide to propagate tumor growth—intercepting the common crossroads in cell cycle progression is a feasible strategy. KIF11 is needed for bipolar spindle formation in metaphase. We identified KIF11 as a universal target of all ATRT-molecular-subtypes. Ispinesib, a KIF11-inhibitor, effectively inhibited tumor proliferation in all seven cell lines. A second challenge—a major challenge in preclinical drug testing in-vivo among aggressive tumor models, is the narrow therapeutic window to administer drugs within the limited murine lifespan. Our most aggressive ATRT tumor model was lethal in all mice within ~ 1 month of tumor implantation. Such short-surviving mouse models are difficult to employ for preclinical drug testing due to the narrow time window to administer drugs. To overcome this time restriction, we developed a clinical staging system which allowed physically-fit mice to continue treatment, in contrast to the conventional method of fixed drug-dose-duration regimen in preclinical testing which will not be feasible in such short-surviving mouse models. We validated this approach in a second embryonal brain tumor, medulloblastoma. This is a clinically relevant, cost-efficient approach in preclinical testing for cancer and non-cancer disease phenotypes. Widely used preclinical mouse models are not the most accurate and lack the aggressive tumor spectrum found within a single tumor type. Mice bearing the most aggressive tumor spectrum progress rapidly in the limited murine life-span, resulting in a narrow therapeutic window to administer drugs, and are thus difficult to employ in preclinical testing. Our approach overcomes this challenge. We discovered ispinesib is efficacious against two embryonal brain tumor types.
BAFF predicts immunogenicity in older patients with rheumatoid arthritis treated with TNF inhibitors
Authors: Hernández-Breijo Borja , Navarro-Compán Victoria , Plasencia-Rodríguez Chamaida , Parodis Ioannis , Gehin Johanna E. , Martínez-Feito Ana , Novella-Navarro Marta , Mezcua Araceli , Warren David J. , Nozal Pilar , Pascual-Salcedo Dora , Balsa Alejandro
Published: June 2021

Immunogenicity related to treatment with TNF inhibitors (TNFi) is one of the causes for the decreased attainment of clinical response in patients with rheumatoid arthritis (RA). The B-cell activating factor (BAFF) may be playing a role in the development of immunogenicity. The objective of this study was to analyse the association of baseline concentration of serum B-cell activating factor (BAFF) with immunogenicity after 6 months of TNFi treatment. A total of 127 patients with RA starting a TNFi (infliximab, adalimumab, certolizumab pegol or golimumab) were followed-up for 6 months. Serum samples were obtained at baseline and at 6 months and anti-drug antibody (ADA) and BAFF concentrations were measured. Logistic regression models were employed in order to analyse the association between BAFF concentrations and immunogenicity. Receiver operating characteristic analysis was performed to determine the BAFF concentrations with a greater likelihood of showing immunogenicity association. At 6 months, 31 patients (24%) developed ADA. A significant interaction between the age and baseline BAFF concentration was found for the development of ADA (Wald chi-square value = 5.30; p = 0.02); therefore, subsequent results were stratified according to mean age (≤ / > 55 years). Baseline serum BAFF concentration was independently associated with ADA development only in patients over 55 years (OR = 1.51; 95% CI 1.03–2.21). Baseline serum BAFF ≥ 1034 pg/mL predicted the presence of ADA at 6 months (AUC = 0.81; 95% confidence interval (CI) 0.69–0.93; p = 0.001; positive likelihood ratio = 3.7). In conclusion, our results suggest that the association of BAFF concentration and immunogenicity depends on the patient’s age. Baseline serum BAFF concentration predicts the presence of ADA within 6 months of TNFi therapy in older patients with RA.
MHD hybrid nanofluid flow comprising the medication through a blood artery
Authors: Alghamdi Wajdi , Alsubie Abdelaziz , Kumam Poom , Saeed Anwar , Gul Taza
Published: June 2021

The current study focuses on the laminar flow of copper and copper oxide ($${\text{Cu/blood}}$$
Cu/blood
and $${\text{Cu}} + {\text{CuO/blood}}$$

Cu
+
CuO/blood

) hybrid nanoliquid, considering blood as a carrier fluid in a rectangular domain between two permeable channels. This study may manipulate for the purpose such as the drug delivery process, flow dynamic mechanism of the micro-circulatory system. In the proposed model, MHD and heat source/sink on the flow pattern have been studied. Furthermore, the sides of each channel are permeable, allowing the nanoliquid to escape, filter, squeezing and dilating with a fixed velocity. Appropriate transformations are incorporated to convert the governing partial differential equations and the boundary conditions suitable for computation. The elegant homotopy analysis method (HAM) is used to obtain analytic approximations for the resulting system of nonlinear differential equations. The features of flow characteristics such as velocity, and temperature profiles in response to the variations of the emerging parameters are simulated and examined with a physical explanation. The magnetic field plays a vital role in the blood flow and therefore the existing literature has been extending with the addition of magnetic field. Among the many outputs of the study, it is found that the pressure distribution decline with the accumulated values of the magnetic parameter at the center of the flow regime. The augmentation in the temperature distribution estimates the pH values and electric conductivity. Therefore, the $${\text{Cu}}\,\,{\text{and}}\,\,{\text{CuO}}$$

Cu

and

CuO

hybrid nanofluids are used in this study for medication purposes. The magnetic field has an important role in the blood flow and therefore the extending study has been extending using the magnetic field. The heat emission/absorption term is added to the energy equation to maintain the homogeneous temperature for the blood flow. We expect that this work will provide efficient outputs for medical purposes such as drug delivery.
Focused peptide library screening as a route to a superior affinity ligand for antibody purification
Authors: Bozovičar Krištof , Jenko Bizjan Barbara , Meden Anže , Kovač Jernej , Bratkovič Tomaž
Published: June 2021

Affinity chromatography is the linchpin of antibody downstream processing and typically relies on bacterial immunoglobulin (Ig)-binding proteins, epitomized by staphylococcal protein A-based ligands. However, such affinity ligands are fairly costly and suffer from chemical instability, leading to ligand denaturation and leaching from chromatographic support. Innovations in this area are aimed at developing robust and highly selective antibody ligands capable of withstanding harsh column sanitization conditions. We report the development and first-stage characterization of a selective short linear peptide ligand of the IgG Fc region capable of capturing all four IgG subclasses. The ligand was discovered through in vitro directed evolution. A focused phage-display library based on a previously identified peptide lead was subjected to a single-round screen against a pool of human IgG. The hits were identified with next-generation sequencing and ranked according to the enrichment ratio relative to their frequency in the pre-screened library. The top enriched peptide GSYWYNVWF displaying highest affinity for IgG was coupled to bromohydrin-activated agarose beads via a branched linker. The resulting affinity matrix was characterized with a dynamic binding capacity of approx. 43 mg/mL, on par with commercially employed protein A-based resin.
Aberrant activity of mitochondrial NCLX is linked to impaired synaptic transmission and is associated with mental retardation
Authors: Stavsky Alexandra , Stoler Ohad , Kostic Marko , Katoshevsky Tomer , Assali Essam A. , Savic Ivana , Amitai Yael , Prokisch Holger , Leiz Steffen , Daumer-Haas Cornelia , Fleidervish Ilya , Perocchi Fabiana , Gitler Daniel , Sekler Israel
Published: June 2021

Calcium dynamics control synaptic transmission. Calcium triggers synaptic vesicle fusion, determines release probability, modulates vesicle recycling, participates in long-term plasticity and regulates cellular metabolism. Mitochondria, the main source of cellular energy, serve as calcium signaling hubs. Mitochondrial calcium transients are primarily determined by the balance between calcium influx, mediated by the mitochondrial calcium uniporter (MCU), and calcium efflux through the sodium/lithium/calcium exchanger (NCLX). We identified a human recessive missense SLC8B1 variant that impairs NCLX activity and is associated with severe mental retardation. On this basis, we examined the effect of deleting NCLX in mice on mitochondrial and synaptic calcium homeostasis, synaptic activity, and plasticity. Neuronal mitochondria exhibited basal calcium overload, membrane depolarization, and a reduction in the amplitude and rate of calcium influx and efflux. We observed smaller cytoplasmic calcium transients in the presynaptic terminals of NCLX-KO neurons, leading to a lower probability of release and weaker transmission. In agreement, synaptic facilitation in NCLX-KO hippocampal slices was enhanced. Importantly, deletion of NCLX abolished long term potentiation of Schaffer collateral synapses. Our results show that NCLX controls presynaptic calcium transients that are crucial for defining synaptic strength as well as short- and long-term plasticity, key elements of learning and memory processes.
PP2A in LepR+ mesenchymal stem cells contributes to embryonic and postnatal endochondral ossification through Runx2 dephosphorylation
Authors: Yen Yu-Ting , Chien May , Wu Pei-Yi , Hung Shih-Chieh
Published: June 2021

It has not been well studied which cells and related mechanisms contribute to endochondral ossification. Here, we fate mapped the leptin receptor-expressing (LepR+) mesenchymal stem cells (MSCs) in different embryonic and adult extremities using Lepr-cre; tdTomato mice and investigated the underling mechanism using Lepr-cre; Ppp2r1afl/fl mice. Tomato+ cells appear in the primary and secondary ossification centers and express the hypertrophic markers. Ppp2r1a deletion in LepR+ MSCs reduces the expression of Runx2, Osterix, alkaline phosphatase, collagen X, and MMP13, but increases that of the mature adipocyte marker perilipin, thereby reducing trabecular bone density and enhancing fat content. Mechanistically, PP2A dephosphorylates Runx2 and BRD4, thereby playing a major role in positively and negatively regulating osteogenesis and adipogenesis, respectively. Our data identify LepR+ MSC as the cell origin of endochondral ossification during embryonic and postnatal bone growth and suggest that PP2A is a therapeutic target in the treatment of dysregulated bone formation.
Compensatory mechanisms in resistant Anopheles gambiae AcerKis and KdrKis neurons modulate insecticide-based mosquito control
Authors: Perrier Stéphane , Moreau Eléonore , Deshayes Caroline , El-Adouzi Marine , Goven Delphine , Chandre Fabrice , Lapied Bruno
Published: June 2021

In the malaria vector Anopheles gambiae, two point mutations in the acetylcholinesterase (ace-1R) and the sodium channel (kdrR) genes confer resistance to organophosphate/carbamate and pyrethroid insecticides, respectively. The mechanisms of compensation that recover the functional alterations associated with these mutations and their role in the modulation of insecticide efficacy are unknown. Using multidisciplinary approaches adapted to neurons isolated from resistant Anopheles gambiae AcerKis and KdrKis strains together with larval bioassays, we demonstrate that nAChRs, and the intracellular calcium concentration represent the key components of an adaptation strategy ensuring neuronal functions maintenance. In AcerKis neurons, the increased effect of acetylcholine related to the reduced acetylcholinesterase activity is compensated by expressing higher density of nAChRs permeable to calcium. In KdrKis neurons, changes in the biophysical properties of the L1014F mutant sodium channel, leading to enhance overlap between activation and inactivation relationships, diminish the resting membrane potential and reduce the fraction of calcium channels available involved in acetylcholine release. Together with the lower intracellular basal calcium concentration observed, these factors increase nAChRs sensitivity to maintain the effect of low concentration of acetylcholine. These results explain the opposite effects of the insecticide clothianidin observed in AcerKis and KdrKis neurons in vitro and in vivo.
A sulfobetaine zwitterionic polymer–drug conjugate for multivalent paclitaxel and gemcitabine co-delivery
Authors: Sun Haotian , Yan Lingyue , Zhang Runsheng , Lovell Jonathan F. , Wu Yun , Cheng Chong
Published: June 2021

A zwitterionic polymer–drug conjugate (ZPDC) strategy for the co-delivery of two chemotherapeutics, together with an imaging agent, is reported.
A neutrophil-mimetic magnetic nanoprobe for molecular magnetic resonance imaging of stroke-induced neuroinflammation
Authors: Tang Chunming , Wang Qianqian , Li Kaiming , Li Xiuqi , Wang Cong , Xue Lingjing , Ju Caoyun , Zhang Can
Published: June 2021

Inspired by the specific neutrophil–endothelium interaction, neutrophil-camouflaged magnetic nanoprobes (NMNPs) were designed to target activated endothelial cells for improved stroke-induced neuroinflammation imaging.
Machine learning analysis and prediction models of alkaline anion exchange membranes for fuel cells
Authors: Zou Xiuyang , Pan Ji , Sun Zhe , Wang Bowen , Jin Zhiyu , Xu Guodong , Yan Feng
Published: June 2021

The artificial intelligence – aided analysis and prediction the performance of alkaline anion exchange membranes for fuel cells are reported.
Porous graphitic carbon nitride nanomaterials for water treatment
Authors: Huo Xiuqin , Yi Huan , Fu Yukui , An Ziwen , Qin Lei , Liu Xigui , Li Bisheng , Liu Shiyu , Li Ling , Zhang Mingming , Xu Fuhang , Zeng Guangming , Lai Cui
Published: June 2021

This review summarizes the application of porous g-C3N4 in water treatment and modification to enhance its catalytic performance, showing the potential of porous g-C3N4 for the actual treatment of water bodies.
A slow and sustained release of methotrexate (MTX) from a new polymeric dicalcium phosphate dehydrate cement (P-DCPD)
Authors: Vaidya Rahul , Ren Emily J , Shi Tong , Gardia Angelica , Ren Weiping
Published: June 2021

A novel and injectable polymeric dicalcium phosphate dihydrate (P-DCPD) was developed by the reaction of acidic CPP gel with alkali TTCP that is completely different from classical DCPD. P-DCPD is mechanically strong and has excellent cohesion.
Mechanochromism of dynamic disulfide bonds as a chromophoric indicator of adhesion strength for epoxy adhesive
Authors: Tsai Hsing-Ying , Nakamura Yasuyuki , Hu Wei-Hsun , Fujita Takehiro , Naito Masanobu
Published: June 2021

We demonstrated that the introduction of disulfide bonds into epoxy adhesive could be used as a facile chromophoric indicator to predict the adhesive strength.
Azobenzene isomerization in condensed matter: lessons for the design of efficient light-responsive soft-matter systems
Authors: Giles Luke W. , Faul Charl F. J. , Tabor Rico F.
Published: June 2021

This work reviews photoswitching of azobenzenes in soft and self-assembled materials, providing an outlook for smart soft matter design.
Deglycase-activity oriented screening to identify DJ-1 inhibitors
Authors: Maksimovic Igor , Finkin-Groner Efrat , Fukase Yoshiyuki , Zheng Qingfei , Sun Shan , Michino Mayako , Huggins David J. , Myers Robert W. , David Yael
Published: June 2021

Tracking the esterase activity of DJ-1 via a fluorescent-based scalable assay to uncover and develop candidates with enhanced potency.
Nanofiber fabric based ion-gradient-enhanced moist-electric generator with a sustained voltage output of 1.1 volts
Authors: Sun Zhaoyang , Feng Lanlan , Wen Xian , Wang Liming , Qin Xiaohong , Yu Jianyong
Published: June 2021

Moisture-enabled electricity generation as an emerging new energy-harvesting technology is one of the most fascinating and promising candidates for supplying renewable and clean power.
Linewidth narrowing of aluminum breathing plasmon resonances in Bragg grating decorated nanodisks
Authors: Zhao Xiaomin , Du Chenglin , Leng Rong , Li Li , Luo Weiwei , Wu Wei , Xiang Yinxiao , Ren Mengxin , Zhang Xinzheng , Cai Wei , Xu Jingjun
Published: June 2021

The profound linewidth narrowing of the plasmon resonance of an individual Al nanoparticle through Bragg grating decoration was demonstrated with electron beams, suggesting a feasible approach to realize Al plasmon resonance with a higher quality factor.
A wide-angle and TE/TM polarization-insensitive terahertz metamaterial near-perfect absorber based on a multi-layer plasmonic structure
Authors: Sun Yuanbo , Shi Yanpeng , Liu Xiaoyu , Song Jinmei , Li Meiping , Wang Xiaodong , Yang Fuhua
Published: June 2021

This paper proposes a flexible method to design absorbers, each of which exhibits specific absorbing function. Especially for multi-band absorber, the number of absorption peaks is successfully increased without reducing the absorptance of each peak or changing their position.
Acid-catalyzed oxidative cross-coupling of acridans with silyl diazoenolates and a Rh-catalyzed rearrangement: two-step synthesis of γ-(9-acridanylidene)-β-keto esters
Authors: Li Weiyu , Xu Hao , Zhou Lei
Published: June 2021

A MsOH-catalyzed oxidative cross-coupling of acridans and silyl diazoenolates and Rh2(OAc)4-catalyzed rearrangement of the resultant diazo products were described, providing γ-(9-acridanylidene)-β-keto esters in good yields.
Synthesis and [3,3]-sigmatropic rearrangements of 5-(pentafluorosulfanyl)-pent-3-en-2-ol, its homologues, and trifluoromethyl analogues
Authors: Dudziński Piotr , Husstedt Wibke S. , Matsnev Andrej V. , Thrasher Joseph S. , Haufe Günter
Published: June 2021

[3,3]-Sigmatropic rearrangements based on different SF5-substituted allylic alcohols were investigated. The synthetic sequence developed for SF5 compounds is also useful for CF3 analogues and its application in Johnson–Claisen rearrangement.
Asymmetric small organic molecule-based NIR-II fluorophores for high performance tumor phototheranostics
Authors: Wang Qi , Niu Xinrui , Yang Linqiang , Liu Jiawei , Wang Jing , Xu Xingpeng , Tang Weihua , Huang Wei , Fan Quli
Published: June 2021

High performance phototheranostic agents based on a single-component asymmetric small organic molecule were successfully constructed for NIR-II fluorescence imaging-guided photothermal/photodynamic therapy.
Green strategies for transition metal-catalyzed C–H activation in molecular syntheses
Authors: Dhawa Uttam , Kaplaneris Nikolaos , Ackermann Lutz
Published: June 2021

Sustainable strategies for the activation of inert C–H bonds towards improved resource-economy.
Development of a schwarzite-based moving bed 3D printed water treatment system for nanoplastic remediation
Authors: Gupta Bramha , Ambekar Rushikesh S. , Tromer Raphael M. , Ghosal Partha Sarathi , Sinha Rupal , Majumder Abhradeep , Kumbhakar Partha , Ajayan P. M. , Galvao Douglas S. , Gupta Ashok Kumar , Tiwary Chandra Sekhar
Published: June 2021

The impact of micro and nanoplastic debris on our aquatic ecosystem is among the most prominent environmental challenges we face today.
Controllable preparation of sea urchin-like Au NPs as a SERS substrate for highly sensitive detection of the toxic atropine
Authors: Qin Yazhou , Wu Yuanzhao , Wang Binjie , Wang Jiye , Zong Xingsen , Yao Weixuan
Published: June 2021

Using glutathione as a ligand, sea urchin-like gold nanoparticles with controllable surface morphology were prepared by the seed growth method for SERS to detect the poison atropine.
Role of functionalized self-assembled peptide hydrogels in in vitro vasculogenesis
Authors: Onak Pulat Günnur , Gökmen Oğuzhan , Çevik Ziyşan Buse Yaralı , Karaman Ozan
Published: June 2021

Laminin derived peptide integrated self-assembled peptide hydrogels significantly enhanced vascularisation of human umbilical vein endothelial cells (HUVECs).
Preparation of zero valence Pd nanoparticles with ultra-efficient electrocatalytic activity for ORR
Authors: Si Wenyan , Yang Ze , Hu Xiuli , Lv Qing , Li Xiaodong , Zhao Fuhua , He Jianjiang , Huang Changshui
Published: June 2021

An inventive method to prepare pure Pd(0) nanoparticles supported on nitrogen-doped hydrogen-substituted graphyne (Pd/N–HsGY) was developed.
Facile synthesis of an effective g-C3N4-based catalyst for advanced oxidation processes and degradation of organic compounds
Authors: Huang Zhujian , Shen Minxian , Liu Junhong , Ye Jiaer , Asefa Tewodros
Published: June 2021

The synthesis of FeMn–C3N4 with a facile and green synthetic route is demonstrated. The material exhibited a high catalytic activity and an excellent reusability in Fenton-like reactions, activation of persulfate and visible-light photocatalysis.
Templating synthesis of natural cotton-based hierarchically structured carbon hollow microfibers for high-performance solar vapor generation
Authors: Lei Shijun , Huang Dali , Liu Shuhao , Chen Mingfeng , Ma Rong , Zeng Minxiang , Li Dan , Ma Wenchao , Wang Ling , Cheng Zhengdong
Published: June 2021

Facile synthesis of a hierarchical hollow structure on natural abundant cotton fibers achieved an extremely high evaporation rate under 1 sun.
Novel insights into the unique intrinsic sensing behaviors of 2D nanomaterials for volatile organic compounds: from graphene to MoS2 and black phosphorous
Authors: Zong Boyang , Xu Qikun , Li Qiuju , Fang Xian , Chen Xiaoyan , Liu Chengbin , Zang Jianbin , Bo Zheng , Mao Shun
Published: June 2021

Room temperature gas sensing performance of FET sensors with graphene, black phosphorous, and MoS2 is investigated, which depends on the intrinsic electronic properties of the 2D channel.
Lamellar porous vermiculite membranes for boosting nanofluidic osmotic energy conversion
Authors: Cao Li , Wu Hong , Fan Chunyang , Zhang Zhiming , Shi Benbing , Yang Pengfei , Qiu Ming , Khan Niaz Ali , Jiang Zhongyi
Published: June 2021

We demonstrate an efficient nanofluidic osmotic energy generator based on lamellar porous vermiculite membranes (PVMs) which offer high transmembrane ion flux and ion selectivity, showing superior power density.
Electrochemical oxidation of 5-hydroxymethylfurfural on ternary metal–organic framework nanoarrays: enhancement from electronic structure modulation
Authors: Bai Xiao-Jue , He Wen-Xiu , Lu Xing-Yu , Fu Yu , Qi Wei
Published: June 2021

A facile one-step solvothermal strategy has been developed for the in situ growth of ternary MOF nanoarrays onto Ni foam, which exhibits superior electrocatalytic activity and stability for the electrochemical 5-hydroxymethylfurfural oxidation.
Modulating the electronic structure of nanomaterials to enhance polysulfides confinement for advanced lithium–sulfur batteries
Authors: Zhao Shuang , Kang Yajuan , Liu Minjie , Wen Bihan , Fang Qi , Tang Yaoyao , He Shicheng , Ma Xin , Liu Mingkai , Yan Yan
Published: June 2021

Modulating electronic structure of nanomaterials via surface engineering for suppressing polysulfide shuttling in lithium–sulfur batteries are comprehensively summarized and outlooks of them are given in this review.
The rise of flexible zinc-ion hybrid capacitors: advances, challenges, and outlooks
Authors: Wang Cheng , Zeng Xin , Cullen Patrick J. , Pei Zengxia
Published: June 2021

A comprehensive review summarizing the latest advance and critical challenges of the flexible zinc-ion hybrid capacitors, with outlooks towards potential future research directions.
Core–shell nanoparticles with tensile strain enable highly efficient electrochemical ethanol oxidation
Authors: Liu Moxuan , Xie Miao , Jiang Yilan , Liu Zhaojun , Lu Yiming , Zhang Shumeng , Zhang Zhixue , Wang Xiaoxiao , Liu Kai , Zhang Qing , Cheng Tao , Gao Chuanbo
Published: June 2021

The tensile strain in an Ag@Pd core–shell nanostructure accelerates the ethanol oxidation reaction (EOR) and improves its selectivity toward complete oxidation of ethanol to CO2.
Monitoring tissue implants by field-cycling 1H-MRI via the detection of changes in the 14N-quadrupolar-peak from imidazole moieties incorporated in a “smart“ scaffold material
Authors: Di Gregorio Enza , Bitonto Valeria , Baroni Simona , Stefania Rachele , Aime Silvio , Broche Lionel M. , Senn Nicholas , Ross P. James , Lurie David J. , Geninatti Crich Simonetta
Published: June 2021

Herein a smart biomaterial self-monitoring the status of tissue implants by Fast Field Cycling MRI is described. It is pH-sensitive, biocompatible, biodegradable and can non-invasively report on scaffold degradation and cell proliferation.
Carbonized zein nanosheets with intrinsic enzyme-mimicking activities and high photothermal conversion efficiency for synergistic cancer therapy
Authors: Fu Lianlian , Zou Dijuan , Shi Qiankun , Yu Deshuai , Zhang Hao , Qian Hao , Shen Wenrong , Zhou Dongfang , Lin Youhui
Published: June 2021

A facile and economic method to fabricate N-rich carbon nanozyme is presented by using zein as a precursor. This material possesses intrinsic oxidase- and peroxidase-like activities, and can be applied as a robust agent for cancer treatment.
Dopamine/zinc oxide doped poly(N-hydroxyethyl acrylamide)/agar dual network hydrogel with super self-healing, antibacterial and tissue adhesion functions designed for transdermal patch
Authors: Sun Fengyu , Li Rui , Jin Fei , Zhang Haiyang , Zhang Jin , Wang Ting , Feng Zhang-Qi
Published: June 2021

A double-layer hydrogel with an adhesive PDA layer and an antibacterial ZnO NPs layer in agar–p(HEAA) hydrogel was proposed.
Cascade catalytic nanoplatform constructed by laterally-functionalized pillar[5]arenes for antibacterial chemodynamic therapy
Authors: Li Fei , Zang Mingsong , Hou Jinxing , Luo Quan , Yu Shuangjiang , Sun Hongcheng , Xu Jiayun , Liu Junqiu
Published: June 2021

A cascade catalytic nanoplatform was established for effective chemodynamic antibacterial therapy.
Skin protein-derived peptide-conjugated vesicular nanocargos for selected skin cell targeting and consequent activation
Authors: Cho Jung Hyeon , Kang Jeong Yi , Kim Seulgi , Baek Hwi Ra , Kim Junoh , Jang Kwang-Suk , Kim Jin Woong
Published: June 2021

A cellular multi-targeting strategy inspired by skin protein-derived peptides is proposed to direct skin therapies toward cellular targets.
Encapsulation and controlled release of an antimalarial drug using surface functionalized mesoporous silica nanocarriers
Authors: Hirayama Haruka , Amolegbe Saliu Alao , Islam Md. Saidul , Rahman Mohammad Atiqur , Goto Nonoka , Sekine Yoshihiro , Hayami Shinya
Published: June 2021

The pH and thermal optimization effects on the encapsulation and release of antimalarial drug quinine using three nanocarriers, including MCM-41, and its 3-aminopropyl silane and 3-phenylpropyl silane functionalized derivatives, were investigated.
Highly contrastive, real-time modulation of light intensity by reversible stress-whitening of spontaneously formed nanocomposites: application to wearable strain sensors
Authors: Park Seung Koo , Yun Sungryul , Hwang Geonwoo , Choi Meejeong , Kim Dong Wook , Lee Jong-Moo , Park Bong Je , Nam Saekwang , Mun Heeju , Mun Seongcheol , Lim Jeong Mook , Shin Eun Jin , Kyung Ki-Uk , Park Suntak
Published: June 2021

Reversible stress-whitening in a nanocomposite film spontaneously formed from a photocurable PDMS solution enables reliable and real-time monitoring of human motion in the form of a wearable interface.
Fermi-level depinning of 2D transition metal dichalcogenide transistors
Authors: Chen Ruo-Si , Ding Guanglong , Zhou Ye , Han Su-Ting
Published: June 2021

In this review, we summarize the recent progress on how to circumvent FLP between 2D TMD semiconductors and metals.
Nonlinear photocarrier dynamics and the role of shallow traps in mixed-halide mixed-cation hybrid perovskites
Authors: Valverde-Chávez David A. , Rojas-Gatjens Esteban , Williamson Jacob , Jariwala Sarthak , Shi Yangwei , McCarthy Declan P. , Barlow Stephen , Marder Seth R. , Ginger David S. , Silva-Acuña Carlos
Published: June 2021

We examine the role of surface passivation on carrier trapping and nonlinear recombination dynamics in hybrid metal-halide perovskites by means of excitation correlation photoluminescence (ECPL) spectroscopy.
Halide perovskites scintillators: unique promise and current limitations
Authors: Moseley Oliver D. I. , Doherty Tiarnan A. S. , Parmee Richard , Anaya Miguel , Stranks Samuel D.
Published: June 2021

The origins of the remarkable performance of halide perovskite scintillators are presented, along with solutions to the challenges facing the field, followed by a discussion of applications that will benefit from the unique properties of these materials.
Gas decomposition and electrode degradation characteristics of a 20% C3F7CN and 80% CO2 gas mixture for high voltage accelerators
Authors: Iddrissu Ibrahim , Han Qinghua , Chen Lujia , Maksoud Louis , Kieffel Yannick
Published: June 2021

Sulphur hexafluoride (SF6) is a potent greenhouse gas used in high voltage accelerators. As a promising alternative to SF6, the C3F7CN/CO2 gas mixture and its by‐products are of great interest to ensure the safe operation of accelerators that will adopt any SF6‐free solution. This work experimentally examines the electrical ageing characteristics of a 20% C3F7CN/80% CO2 gas mixture tested using spark gaps under a pressure of 7.2 bar (abs.). Gas samples were collected after 1000 DC breakdowns and analysed using gas chromatography mass spectrometry (GC‐MS) with an estimated toxicity value of 54,459 ppmv, which indicates the aged mixture to be non‐toxic. Subsequent investigation was conducted on the gas‐solid interface after 500 breakdowns for both SF6 and the 20% C3F7CN/80% CO2 gas mixture. Aged electrodes were analysed using X‐ray photoelectron spectroscopy (XPS) and X‐ray diffraction (XRD) techniques. Electrode surface analysis revealed the formation of metal fluorides on the electrode surface tested using the 20% C3F7CN/80% CO2 mixture, whereas metal fluorides and sulphides were detected for electrodes tested with SF6. The findings provide a reference on the toxicity and gas‐solid interaction of the electrically aged 20% C3F7CN/80% CO2 gas mixture for potential retro‐fill application in high voltage accelerators.
High precision measurements of interstellar dispersion measure with the upgraded GMRT
Authors: Krishnakumar M. A. , Manoharan P. K. , Joshi B. C. , Girgaonkar R. , Desai S. , Bagchi M. , Nobleson K. , Dey L. , Susobhanan A. , Susarla S. C. , Surnis M. P. , Maan Y. , Gopakumar A. , Basu A. , Batra N. D. , Choudhary A. , De K. , Gupta Y. , Naidu A. K. , Pathak D. , Singha J. , Prabu T.
Published: June 2021

Context. Pulsar radio emission undergoes dispersion due to the presence of free electrons in the interstellar medium (ISM). The dispersive delay in the arrival time of the pulsar signal changes over time due to the varying ISM electron column density along the line of sight. Accurately correcting for this delay is crucial for the detection of nanohertz gravitational waves using pulsar timing arrays.

Aims. We aim to demonstrate the precision in the measurement of the dispersion delay achieved by combining 400−500 MHz (BAND3) wide-band data with those at 1360−1460 MHz (BAND5) observed using the upgraded GMRT, employing two different template alignment methods.

Methods. To estimate the high precision dispersion measure (DM), we measure high precision times-of-arrival (ToAs) of pulses using carefully generated templates and the currently available pulsar timing techniques. We use two different methods for aligning the templates across frequency to obtain ToAs over multiple sub-bands and therefrom measure the DMs. We study the effects of these two different methods on the measured DM values in detail.

Results. We present in-band and inter-band DM estimates of four pulsars over the timescale of a year using two different template alignment methods. The DMs obtained using both these methods show only subtle differences for PSRs J1713+0747 and J1909−3744. A considerable offset is seen in the DM of PSRs J1939+2134 and J2145−0750 between the two methods. This could be due to the presence of scattering in the former and profile evolution in the latter. We find that both methods are useful but could have a systematic offset between the DMs obtained. Irrespective of the template alignment methods followed, the precision on the DMs obtained is about 10−3 pc cm−3 using only BAND3 and 10−4 pc cm−3 after combining data from BAND3 and BAND5 of the uGMRT. In a particular result, we detected a DM excess of about 5 × 10−3 pc cm−3 on 24 February 2019 for PSR J2145−0750. This excess appears to be due to the interaction region created by fast solar wind from a coronal hole and a coronal mass ejection observed from the Sun on that epoch. A detailed analysis of this interesting event is presented.
A kinematic study of central compact objects and their host supernova remnants
Authors: Mayer Martin G. F. , Becker Werner
Published: June 2021

Context. Central compact objects (CCOs) are a peculiar class of neutron stars, primarily encountered close to the center of young supernova remnants (SNRs) and characterized by thermal X-ray emission. Measurements of their proper motion and the expansion of the parent SNR are powerful tools for constraining explosion kinematics and the age of the system.

Aims. Our goal is to perform a systematic study of the proper motion of all known CCOs with appropriate data available. From this, we hope to obtain constraints on the violent kick acting on the neutron star during the supernova explosion and infer the exact site of the explosion within the SNR. In addition, we aim to measure the expansion of three SNRs within our sample to obtain a direct handle on their kinematics and age.

Methods. We analyze multiple archival Chandra data sets that consist of HRC and ACIS observations separated by temporal baselines of between 8 and 15 years. We achieve accurate source positions by fitting the imaging data with ray-tracing models of the Chandra point spread function. In order to correct for Chandra’s systematic astrometric uncertainties, we establish a reference frame using X-ray-detected sources in Gaia DR2 to provide accurate proper motion estimates for our target CCOs. Complementarily, we use our coaligned data sets to trace the expansion of three SNRs by directly measuring the spatial offset of various filaments and ejecta clumps between different epochs.

Results. In total, we present new proper motion measurements for six CCOs. Within our sample, we do not find any indication of a hypervelocity object, and we determine comparatively tight upper limits (< 230 km s−1) on the transverse velocities of the CCOs in G330.2+1.0 and RX J1713.7−3946. We tentatively identify direct signatures of expansion for the SNRs G15.9+0.2 and Kes 79, at an estimated significance of 2.5σ and 2σ, respectively. Moreover, we confirm recently reported results, measuring the rapid expansion of G350.1−0.3 at almost 6000 km s−1, which places its maximal age at 600 − 700 years, making this object one of the youngest Galactic core-collapse SNRs. The observed expansion, combined with the proper motion of its CCO, which is much slower than previously predicted, implies the need for a very inhomogeneous circumstellar medium to explain the highly asymmetric appearance of the SNR. Finally, for the SNR RX J1713.7−3946, we combine previously published expansion measurements with our measurement of the CCO’s proper motion to obtain a constraining upper limit of 1700 years on the system’s age.
Sizes of the actively aerated zone and methods of the jet aerator calculation
Authors: Abdukodyrova Malokhat , Radkevich Maria , Shipilova Kamila , Gapirov Abdusamin
Published: June 2021

The possibilities of using jet aeration for biological wastewater treatment in small facilities were considered in the article. In shallow depth reservoirs, studies were carried out to change the sizes of the actively aerated zone with a decrease in the height of the liquid layer in the reservoir. The research was conducted for jet aerators with nozzles of the "keyway" type holes. It was established that a decrease in the relative depth of the reservoir makes it possible to increase the share of the beneficial use of the reservoir volume. This suggests that jet aeration will be most effective for reservoirs of relatively shallow depth. Based on the research results, a method for calculating a jet aerator was proposed, which makes it possible to evaluate the necessary parameters of the aerator based on the determination of the volumetric mass transfer coefficient.
The Invariance Determination of the Complex Electrical System Output of
Authors: Makhmudov Tokhir
Published: June 2021

This article discusses the issues of applying the technology of embedding systems to study the invariance of the output of complex controlled electrical systems under small disturbances as stationary deterministic multidimensional dynamic systems. The technique of controller synthesis based on the modern matrix theory is presented. The synthesis of the regulator of the model of a multi-machine electrical system is obtained, which makes it possible to analyze the influence of the parameters of the electrical system mode.
Dynamic Stress-Deformed States of a Circular Tunnel of Small Position Under Harmonic Disturbances
Authors: Sagdiyev Khamidulla , Boltayev Zafar , Ruziyev Tulkin , Jurayev Uktam , Jalolov Farruh
Published: June 2021

There are many underground tunnels of various shapes located in seismically active areas that need to be protected from seismic impacts. The paper considers the impact of harmonic waves on a cylindrical shell located in a viscoelastic half-plane. The study's main purpose is to determine the stress-strain state of a cylindrical shell when exposed to harmonic waves. The basic equation of viscoelasticity in displacements with the corresponding boundary conditions is obtained. The problem posed is solved in mixed potentials that satisfy the wave equation with complex parameters. The solution is expressed in terms of special Bessel and Hankel functions. As a result of multiple reflections, a system of algebraic equations with complex coefficients is obtained. In the future, this system is solved by the Gauss method with the selection of the main element. The analytical solution is obtained in infinite series, the convergence of which is investigated numerically. The numerical results were obtained using the MATLAB software package. The reliability of the research results is confirmed by good agreement with theoretical and experimental results and those obtained by other authors.
Computer simulation the moldboard's surface in simplex system
Authors: Juraev Тojiddin , Voloshinov Denis , Xujakulov Rustam , Qahharov Abdurahim , Ubaydullayeva Dilorom
Published: June 2021

There are considered the tasks of computer simulation of moldboard's surface in the article. The proposed solution is required in educational, research, and production processes. The researches were carried out using the constructive geometric modeling methods and systems. Objects of computer simulation were chosen the computer models of a directory curve, generative lines, and a frontal contour which are elements of the working surface. The geometric models of working surface elements developed based on research results were implemented in AutoCAD and SIMPLEX systems. The proposed simulation models can reduce the design period, simplify the geometric parameters' setting and facilitate the work of designers.
Multiparameter mathematical models of the filtration problem of unstructured and structured fluids
Authors: Qayumov Shukur , Mardanov Arslan , Qayumov Anvar , Xaitov Tojiboy
Published: June 2021

The article is devoted to constructing a generalized mathematical model and the method of their solution of the process of filtration of fluids with various linear and nonlinear characteristics. The multiparameter model contains 13 mathematical models developed in due time by scientific research and included new mathematical models. The classification of these models is carried out in accordance with the laws of filtration, and they are confirmed by the results of numerical solutions. For unknown boundaries of disturbances, the application of the "shuttle" iteration method made it possible to reduce the number of iterations.
The process of distribution Computer modeling of hazardous substances in the atmosphere taking into account the terrain relief
Authors: Sharipov Daler , Abdullaev Zafar , Khafizov Otabek
Published: June 2021

The paper considers a mathematical model for research, forecasting, and management decisions on the process of spreading harmful aerosol substances in the atmosphere. When deriving a mathematical model of the object, the main weather and climatic factors affecting the process of transport and diffusion of harmful substances and the terrain of the region under consideration are taken into account. Changes in wind direction and speed are calculated using the Navier-Stokes equation of stream function and vortex velocity variables. The proposed software was implemented as a software tool in the Borland C ++ Builder environment to carry out computational experiments. The results of the performed numerical calculations are shown in the form of graphical objects.