bluuebunny/crossref_metadata_2025 huggingface dataset:
Sympathetic activity in breast cancer and metastasis: partners in crime
Authors: Conceição Francisco , Sousa Daniela M. , Paredes Joana , Lamghari Meriem
Published: February 2021

The vast majority of patients with advanced breast cancer present skeletal complications that severely compromise their quality of life. Breast cancer cells are characterized by a strong tropism to the bone niche. After engraftment and colonization of bone, breast cancer cells interact with native bone cells to hinder the normal bone remodeling process and establish an osteolytic “metastatic vicious cycle”. The sympathetic nervous system has emerged in recent years as an important modulator of breast cancer progression and metastasis, potentiating and accelerating the onset of the vicious cycle and leading to extensive bone degradation. Furthermore, sympathetic neurotransmitters and their cognate receptors have been shown to promote several hallmarks of breast cancer, such as proliferation, angiogenesis, immune escape, and invasion of the extracellular matrix. In this review, we assembled the current knowledge concerning the complex interactions that take place in the tumor microenvironment, with a special emphasis on sympathetic modulation of breast cancer cells and stromal cells. Notably, the differential action of epinephrine and norepinephrine, through either α- or β-adrenergic receptors, on breast cancer progression prompts careful consideration when designing new therapeutic options. In addition, the contribution of sympathetic innervation to the formation of bone metastatic foci is highlighted. In particular, we address the remarkable ability of adrenergic signaling to condition the native bone remodeling process and modulate the bone vasculature, driving breast cancer cell engraftment in the bone niche. Finally, clinical perspectives and developments on the use of β-adrenergic receptor inhibitors for breast cancer management and treatment are discussed.
Spectroscopic trace of the Lifshitz transition and multivalley activation in thermoelectric SnSe under high pressure
Authors: Biesner Tobias , Li Weiwu , Tsirlin Alexander A. , Roh Seulki , Wei Pai-Chun , Uykur Ece , Dressel Martin
Published: February 2021

Multivalley systems offer not only exciting physical phenomena but also the possibility of broad utilization. Identifying an important platform and understanding its physics are paramount tasks to improve their capability for application. Here, we investigate a promising candidate, the semiconductor SnSe, by optical spectroscopy and density functional theory calculations. Upon applying pressure to lightly doped SnSe, we directly monitored the phase transition from semiconductor to semimetal. In addition, heavily doped SnSe exhibited a successive Lifshitz transition, activating multivalley physics. Our comprehensive study provides insight into the effects of pressure and doping on this system, leading to promising routes to tune the material properties for advanced device applications, including thermoelectrics and valleytronics.
Fast amplitude modulation up to 1.5 GHz of mid-IR free-space beams at room-temperature
Authors: Pirotta Stefano , Tran Ngoc-Linh , Jollivet Arnaud , Biasiol Giorgio , Crozat Paul , Manceau Jean-Michel , Bousseksou Adel , Colombelli Raffaele
Published: February 2021

Applications relying on mid-infrared radiation (λ ~ 3-30 μm) have progressed at a very rapid pace in recent years, stimulated by scientific and technological breakthroughs like mid-infrared cameras and quantum cascade lasers. On the other side, standalone and broadband devices allowing control of the beam amplitude and/or phase at ultra-fast rates (GHz or more) are still missing. Here we show a free-space amplitude modulator for mid-infrared radiation (λ ~ 10 μm) that can operate at room temperature up to at least 1.5 GHz (−3dB cutoff at ~750 MHz). The device relies on a semiconductor heterostructure enclosed in a judiciously designed metal–metal optical resonator. At zero bias, it operates in the strong light-matter coupling regime up to 300 K. By applying an appropriate bias, the device transitions towards the weak-coupling regime. The large change in reflectance is exploited to modulate the intensity of a mid-infrared continuous-wave laser up to 1.5 GHz.
Deep learning to infer eddy heat fluxes from sea surface height patterns of mesoscale turbulence
Authors: George Tom M. , Manucharyan Georgy E. , Thompson Andrew F.
Published: February 2021

Mesoscale eddies have strong signatures in sea surface height (SSH) anomalies that are measured globally through satellite altimetry. However, monitoring the transport of heat associated with these eddies and its impact on the global ocean circulation remains difficult as it requires simultaneous observations of upper-ocean velocity fields and interior temperature and density properties. Here we demonstrate that for quasigeostrophic baroclinic turbulence the eddy patterns in SSH snapshots alone contain sufficient information to estimate the eddy heat fluxes. We use simulations of baroclinic turbulence for the supervised learning of a deep Convolutional Neural Network (CNN) to predict up to 64% of eddy heat flux variance. CNNs also significantly outperform other conventional data-driven techniques. Our results suggest that deep CNNs could provide an effective pathway towards an operational monitoring of eddy heat fluxes using satellite altimetry and other remote sensing products.
Impaired eIF5A function causes a Mendelian disorder that is partially rescued in model systems by spermidine
Authors: Faundes Víctor , Jennings Martin D. , Crilly Siobhan , Legraie Sarah , Withers Sarah E. , Cuvertino Sara , Davies Sally J. , Douglas Andrew G. L. , Fry Andrew E. , Harrison Victoria , Amiel Jeanne , Lehalle Daphné , Newman William G. , Newkirk Patricia , Ranells Judith , Splitt Miranda , Cross Laura A. , Saunders Carol J. , Sullivan Bonnie R. , Granadillo Jorge L. , Gordon Christopher T. , Kasher Paul R. , Pavitt Graham D. , Banka Siddharth
Published: February 2021

The structure of proline prevents it from adopting an optimal position for rapid protein synthesis. Poly-proline-tract (PPT) associated ribosomal stalling is resolved by highly conserved eIF5A, the only protein to contain the amino acid hypusine. We show that de novo heterozygous EIF5A variants cause a disorder characterized by variable combinations of developmental delay, microcephaly, micrognathia and dysmorphism. Yeast growth assays, polysome profiling, total/hypusinated eIF5A levels and PPT-reporters studies reveal that the variants impair eIF5A function, reduce eIF5A-ribosome interactions and impair the synthesis of PPT-containing proteins. Supplementation with 1 mM spermidine partially corrects the yeast growth defects, improves the polysome profiles and restores expression of PPT reporters. In zebrafish, knockdown eif5a partly recapitulates the human phenotype that can be rescued with 1 µM spermidine supplementation. In summary, we uncover the role of eIF5A in human development and disease, demonstrate the mechanistic complexity of EIF5A-related disorder and raise possibilities for its treatment.
An unknown source of reactor radionuclides in the Baltic Sea revealed by multi-isotope fingerprints
Authors: Qiao Jixin , Zhang Haitao , Steier Peter , Hain Karin , Hou Xiaolin , Vartti Vesa-Pekka , Henderson Gideon M. , Eriksson Mats , Aldahan Ala , Possnert Göran , Golser Robin
Published: February 2021

We present an application of multi-isotopic fingerprints (i.e., 236U/238U, 233U/236U, 236U/129I and 129I/127I) for the discovery of previously unrecognized sources of anthropogenic radioactivity. Our data indicate a source of reactor 236U in the Baltic Sea in addition to inputs from the two European reprocessing plants and global fallout. This additional reactor 236U may come from unreported discharges from Swedish nuclear research facilities as supported by high 236U levels in sediment nearby Studsvik, or from accidental leakages of spent nuclear fuel disposed on the Baltic seafloor, either reported or unreported. Such leakages would indicate problems with the radiological safety of seafloor disposal, and may be accompanied by releases of other radionuclides. The results demonstrate the high sensitivity of multi-isotopic tracer systems, especially the 233U/236U signature, to distinguish environmental emissions of unrevealed radioactive releases for nuclear safeguards, emergency preparedness and environmental tracer studies.
Facile electron delivery from graphene template to ultrathin metal-organic layers for boosting CO2 photoreduction
Authors: Wang Jia-Wei , Qiao Li-Zhen , Nie Hao-Dong , Huang Hai-Hua , Li Yi , Yao Shuang , Liu Meng , Zhang Zhi-Ming , Kang Zhen-Hui , Lu Tong-Bu
Published: February 2021

Metal-organic layers with ordered structure and molecular tunability are of great potential as heterogeneous catalysts due to their readily accessible active sites. Herein, we demonstrate a facile template strategy to prepare metal-organic layers with a uniform thickness of three metal coordination layers (ca. 1.5 nm) with graphene oxide as both template and electron mediator. The resulting hybrid catalyst exhibits an excellent performance for CO2 photoreduction with a total CO yield of 3133 mmol g–1MOL (CO selectivity of 95%), ca. 34 times higher than that of bulky Co-based metal-organic framework. Systematic studies reveal that well-exposed active sites in metal-organic layers, and facile electron transfer between heterogeneous and homogeneous components mediated by graphene oxide, greatly contribute to its high activity. This work highlights a facile way for constructing ultrathin metal-organic layers and demonstrates charge transfer pathway between conductive template and catalyst for boosting photocatalysis.
Replacing conventional battery electrolyte additives with dioxolone derivatives for high-energy-density lithium-ion batteries
Authors: Park Sewon , Jeong Seo Yeong , Lee Tae Kyung , Park Min Woo , Lim Hyeong Yong , Sung Jaekyung , Cho Jaephil , Kwak Sang Kyu , Hong Sung You , Choi Nam-Soon
Published: February 2021

Solid electrolyte interphases generated using electrolyte additives are key for anode-electrolyte interactions and for enhancing the lithium-ion battery lifespan. Classical solid electrolyte interphase additives, such as vinylene carbonate and fluoroethylene carbonate, have limited potential for simultaneously achieving a long lifespan and fast chargeability in high-energy-density lithium-ion batteries (LIBs). Here we report a next-generation synthetic additive approach that allows to form a highly stable electrode-electrolyte interface architecture from fluorinated and silylated electrolyte additives; it endures the lithiation-induced volume expansion of Si-embedded anodes and provides ion channels for facile Li-ion transport while protecting the Ni-rich LiNi0.8Co0.1Mn0.1O2 cathodes. The retrosynthetically designed solid electrolyte interphase-forming additives, 5-methyl-4-((trifluoromethoxy)methyl)-1,3-dioxol-2-one and 5-methyl-4-((trimethylsilyloxy)methyl)-1,3-dioxol-2-one, provide spatial flexibility to the vinylene carbonate-derived solid electrolyte interphase via polymeric propagation with the vinyl group of vinylene carbonate. The interface architecture from the synthesized vinylene carbonate-type additive enables high-energy-density LIBs with 81.5% capacity retention after 400 cycles at 1 C and fast charging capability (1.9% capacity fading after 100 cycles at 3 C).
Quantifying the effects of antibiotic treatment on the extracellular polymer network of antimicrobial resistant and sensitive biofilms using multiple particle tracking
Authors: Powell Lydia C. , Abdulkarim Muthanna , Stokniene Joana , Yang Qiu E. , Walsh Timothy R. , Hill Katja E. , Gumbleton Mark , Thomas David W.
Published: February 2021

Novel therapeutics designed to target the polymeric matrix of biofilms requires innovative techniques to accurately assess their efficacy. Here, multiple particle tracking (MPT) was developed to characterize the physical and mechanical properties of antimicrobial resistant (AMR) bacterial biofilms and to quantify the effects of antibiotic treatment. Studies employed nanoparticles (NPs) of varying charge and size (40–500 nm) inPseudomonas aeruginosaPAO1 and methicillin-resistantStaphylococcus aureus(MRSA) biofilms and also in polymyxin B (PMB) treatedEscherichia colibiofilms of PMB-sensitive (PMBSens) IR57 and PMB-resistant (PMBR) PN47 strains. NP size-dependent and strain-related differences in the diffusion coefficient values of biofilms were evident between PAO1 and MRSA. Dose-dependent treatment effects induced by PMB in PMBSensE.colibiofilms included increases in diffusion and creep compliance (P < 0.05), not evident in PMB treatment of PMBRE. colibiofilms. Our results highlight the ability of MPT to quantify the diffusion and mechanical effects of antibiotic therapies within the AMR biofilm matrix, offering a valuable tool for the pre-clinical screening of anti-biofilm therapies.
Enzyme mediated synthesis of hybrid polyedric gold nanoparticles
Authors: Arib Célia , Spadavecchia Jolanda , de la Chapelle Marc Lamy
Published: February 2021

Large protein complexes carry out some of the most complex activities in biology1,2. Such structures are often assembled spontaneously through the process of self-assembly and have characteristic chemical or biological assets in the cellular mechanisms3. Gold-based nanomaterials have attracted much attention in many areas of chemistry, physics and biosciences because of their size- and shape-dependent optic, electric, and catalytic properties. Here we report for the first time a one step synthesis in which Manganese Superoxide Dismutase protein plays a key role in the reduction of gold salts via the use of a Good's buffer (HEPES) to produce gold nanoparticles, compared to other proteins as catalase (CAT) and bovine serum albumin (BSA).We prove that this effect is directly related with the biological activities of the proteins that have an effect on the gold reduction mechanisms. Such synthesis route also induces the integration of proteins directly in the AuNPs that are intrinsically safe by design using a one-step production method. This is an important finding that will have uses in various applications, particularly in the green synthesis of novel nanomaterials.
PACIFIC: a lightweight deep-learning classifier of SARS-CoV-2 and co-infecting RNA viruses
Authors: Acera Mateos Pablo , Balboa Renzo F. , Easteal Simon , Eyras Eduardo , Patel Hardip R.
Published: February 2021

Viral co-infections occur in COVID-19 patients, potentially impacting disease progression and severity. However, there is currently no dedicated method to identify viral co-infections in patient RNA-seq data. We developed PACIFIC, a deep-learning algorithm that accurately detects SARS-CoV-2 and other common RNA respiratory viruses from RNA-seq data. Using in silico data, PACIFIC recovers the presence and relative concentrations of viruses with > 99% precision and recall. PACIFIC accurately detects SARS-CoV-2 and other viral infections in 63 independent in vitro cell culture and patient datasets. PACIFIC is an end-to-end tool that enables the systematic monitoring of viral infections in the current global pandemic.
Assessment of cytotoxicity and antioxidant properties of berry leaves as by-products with potential application in cosmetic and pharmaceutical products
Authors: Ziemlewska Aleksandra , Zagórska-Dziok Martyna , Nizioł-Łukaszewska Zofia
Published: February 2021

Vaccinum myrtillus L., Ribes nigrum L., Rubus fruticosus L., Fragaria vesca L.leaves are considered an agro-waste of the berry industry. Although numerous studies indicate fruit is a rich source of bioactive compounds, the authors prove leaves can also be a valuable source of compounds used in the pharmaceutical and cosmetic industries. The study attempts to assess and compare the antioxidant and cytotoxic properties of berry leaves extracts. The total phenolic compounds, flavonoids, anthocyanins and procyanidins content were determined. Antioxidant potential was evaluated using the DPPH radical scavenging method. Cytotoxicity studies were conducted to evaluate the effect of the extracts on the metabolism and proliferation of keratinocytes and fibroblasts in vitro. The effect on the migration capacity of these cells was also assessed. The obtained results show that the examined extracts are a source of valuable bioactive agents. All tested extracts show significant ability to remove free radicals in higher concentrations. Cytotoxicity assessments have shown that leaf extracts of the analyzed plants differ in cytotoxicity, both for keratinocytes and fibroblasts. The results of the assessment of cell migration capacity correlate with cytotoxicity tests, because the concentration of extracts showing cytotoxic activity towards the tested cells also inhibited their migration.
Robotic agricultural instrument for automated extraction of nematode cysts and eggs from soil to improve integrated pest management
Authors: Legner Christopher M. , Tylka Gregory L. , Pandey Santosh
Published: February 2021

Soybeans are an important crop for global food security. Every year, soybean yields are reduced by numerous soybean diseases, particularly the soybean cyst nematode (SCN). It is difficult to visually identify the presence of SCN in the field, let alone its population densities or numbers, as there are no obvious aboveground disease symptoms. The only definitive way to assess SCN population densities is to directly extract the SCN cysts from soil and then extract the eggs from cysts and count them. Extraction is typically conducted in commercial soil analysis laboratories and university plant diagnostic clinics and involves repeated steps of sieving, washing, collecting, grinding, and cleaning. Here we present a robotic instrument to reproduce and automate the functions of the conventional methods to extract nematode cysts from soil and subsequently extract eggs from the recovered nematode cysts. We incorporated mechanisms to actuate the stage system, manipulate positions of individual sieves using the gripper, recover cysts and cyst-sized objects from soil suspended in water, and grind the cysts to release their eggs. All system functions are controlled and operated by a touchscreen interface software. The performance of the robotic instrument is evaluated using soil samples infested with SCN from two farms at different locations and results were comparable to the conventional technique. Our new technology brings the benefits of automation to SCN soil diagnostics, a step towards long-term integrated pest management of this serious soybean pest.
Detecting survival-associated biomarkers from heterogeneous populations
Authors: Saegusa Takumi , Zhao Zhiwei , Ke Hongjie , Ye Zhenyao , Xu Zhongying , Chen Shuo , Ma Tianzhou
Published: February 2021

Detection of prognostic factors associated with patients’ survival outcome helps gain insights into a disease and guide treatment decisions. The rapid advancement of high-throughput technologies has yielded plentiful genomic biomarkers as candidate prognostic factors, but most are of limited use in clinical application. As the price of the technology drops over time, many genomic studies are conducted to explore a common scientific question in different cohorts to identify more reproducible and credible biomarkers. However, new challenges arise from heterogeneity in study populations and designs when jointly analyzing the multiple studies. For example, patients from different cohorts show different demographic characteristics and risk profiles. Existing high-dimensional variable selection methods for survival analysis, however, are restricted to single study analysis. We propose a novel Cox model based two-stage variable selection method called “Cox-TOTEM” to detect survival-associated biomarkers common in multiple genomic studies. Simulations showed our method greatly improved the sensitivity of variable selection as compared to the separate applications of existing methods to each study, especially when the signals are weak or when the studies are heterogeneous. An application of our method to TCGA transcriptomic data identified essential survival associated genes related to the common disease mechanism of five Pan-Gynecologic cancers.
Role of PDZ-binding motif from West Nile virus NS5 protein on viral replication
Authors: Giraud Emilie , del Val Chloé Otero , Caillet-Saguy Célia , Zehrouni Nada , Khou Cécile , Caillet Joël , Jacob Yves , Pardigon Nathalie , Wolff Nicolas
Published: February 2021

West Nile virus (WNV) is a Flavivirus, which can cause febrile illness in humans that may progress to encephalitis. Like any other obligate intracellular pathogens, Flaviviruses hijack cellular protein functions as a strategy for sustaining their life cycle. Many cellular proteins display globular domain known as PDZ domain that interacts with PDZ-Binding Motifs (PBM) identified in many viral proteins. Thus, cellular PDZ-containing proteins are common targets during viral infection. The non-structural protein 5 (NS5) from WNV provides both RNA cap methyltransferase and RNA polymerase activities and is involved in viral replication but its interactions with host proteins remain poorly known. In this study, we demonstrate that the C-terminal PBM of WNV NS5 recognizes several human PDZ-containing proteins using both in vitro and in cellulo high-throughput methods. Furthermore, we constructed and assayed in cell culture WNV replicons where the PBM within NS5 was mutated. Our results demonstrate that the PBM of WNV NS5 is important in WNV replication. Moreover, we show that knockdown of the PDZ-containing proteins TJP1, PARD3, ARHGAP21 or SHANK2 results in the decrease of WNV replication in cells. Altogether, our data reveal that interactions between the PBM of NS5 and PDZ-containing proteins affect West Nile virus replication.
Application of combined model of stepwise regression analysis and artificial neural network in data calibration of miniature air quality detector
Authors: Liu Bing , Zhao Qingbo , Jin Yueqiang , Shen Jiayu , Li Chaoyang
Published: February 2021

In this paper, six types of air pollutant concentrations are taken as the research object, and the data monitored by the micro air quality detector are calibrated by the national control point measurement data. We use correlation analysis to find out the main factors affecting air quality, and then build a stepwise regression model for six types of pollutants based on 8 months of data. Taking the stepwise regression fitting value and the data monitored by the miniature air quality detector as input variables, combined with the multilayer perceptron neural network, the SRA-MLP model was obtained to correct the pollutant data. We compared the stepwise regression model, the standard multilayer perceptron neural network and the SRA-MLP model by three indicators. Whether it is root mean square error, average absolute error or average relative error, SRA-MLP model is the best model. Using the SRA-MLP model to correct the data can increase the accuracy of the self-built point data by 42.5% to 86.5%. The SRA-MLP model has excellent prediction effects on both the training set and the test set, indicating that it has good generalization ability. This model plays a positive role in scientific arrangement and promotion of miniature air quality detectors. It can be applied not only to air quality monitoring, but also to the monitoring of other environmental indicators.
Components of a Neanderthal gut microbiome recovered from fecal sediments from El Salt
Authors: Rampelli Simone , Turroni Silvia , Mallol Carolina , Hernandez Cristo , Galván Bertila , Sistiaga Ainara , Biagi Elena , Astolfi Annalisa , Brigidi Patrizia , Benazzi Stefano , Lewis Cecil M. , Warinner Christina , Hofman Courtney A. , Schnorr Stephanie L. , Candela Marco
Published: February 2021

A comprehensive view of our evolutionary history cannot ignore the ancestral features of our gut microbiota. To provide some glimpse into the past, we searched for human gut microbiome components in ancient DNA from 14 archeological sediments spanning four stratigraphic units of El Salt Middle Paleolithic site (Spain), including layers of unit X, which has yielded well-preserved Neanderthal occupation deposits dating around 50 kya. According to our findings, bacterial genera belonging to families known to be part of the modern human gut microbiome are abundantly represented only across unit X samples, showing that well-known beneficial gut commensals, such asBlautia,Dorea,Roseburia,Ruminococcus,FaecalibacteriumandBifidobacteriumalready populated the intestinal microbiome ofHomosince as far back as the last common ancestor between humans and Neanderthals.
Construction of fluorescent rotors with multiple intramolecular rotation sites for visualization of cellular viscous compartments with elevated fidelity
Authors: Hao Qiuhua , Li Chuanya , Niu Jie , Yang Rui , Yu Xiaoqiang
Published: February 2021

The chemical structure and response to viscosity ofSP-6,TAPI-6andTAPI-16.
Preparative separation of seven polyphenols from Perillae Folium via pH-zone-refining counter-current chromatography combined with high-speed counter-current chromatography
Authors: Xu Lihua , Ma Tianyu , Wang Xinming , Liu Wei , Li Jia , Wang Xiao
Published: February 2021

A separation method using pH-ZRCCC combined with HSCCC was proposed to separate the crude sample of Perillae Folium with different constituents and polarity, and three phenolic acids and four flavonoid glycosides were isolated successfully.
Hydrogels of engineered bacterial fimbriae can finely tune 2D human cell culture
Authors: Dura Gema , Crespo-Cuadrado Maria , Waller Helen , Peters Daniel T. , Ferreira Ana Marina , Lakey Jeremy H. , Fulton David A.
Published: February 2021

Hydrogels prepared from a bacterial fimbriae are utilized for the 2D cell culture of human dermal fibroblasts. The tunable biochemical and mechanical nature of Caf1 hydrogels allow the modulation of cell morphology and matrix deposition.
Construction of a nanofiber network within 3D printed scaffolds for vascularized bone regeneration
Authors: Geng Mengru , Zhang Qianqian , Gu Jiani , Yang Jin , Du Haibo , Jia Yating , Zhou Xiaojun , He Chuanglong
Published: February 2021

3D printed scaffolds with micro and nano architectures that facilitate cell growth and migration were prepared, and the scaffolds allowed deferoxamine release to accelerate bone formation.
3D printed gelatin/hydroxyapatite scaffolds for stem cell chondrogenic differentiation and articular cartilage repair
Authors: Huang Jianghong , Huang Zhiwang , Liang Yujie , Yuan Weihao , Bian Liming , Duan Li , Rong Zhibin , Xiong Jianyi , Wang Daping , Xia Jiang
Published: February 2021

The hUCB-MSC-laden 3D printed gelatin/HAP scaffold effectively repairs knee cartilage defects in a pig model.
Gas sorption of nano-porous supramolecules formed by multi-hydrogen bonded coordination capsules
Authors: Tadokoro Makoto , Machida Hironobu , Toyofuku Ryuji , Murakami Megumi , Kamebuchi Hajime , Isoda Kyosuke , Kobayashi Fumiya , Takahashi Kiyonori , Noro Shin'ichiro , Nakamura Takayoshi
Published: February 2021

[{ReI(CO)3(Hbim)}3(tpta)]2 (1, Hbim− = 2,2′-biimidazolate monoanion, tpta = 2,4,6-tripyridyl-1,3,5-triazine) was prepared as a nano-space supramolecule by using a new group of H-bonded coordination capsules.
Morphology, energetics and growth kinetics of diphenylalanine fibres
Authors: Rodger Phillip Mark , Montgomery Caroline , Costantini Giovanni , Rodger Alison
Published: February 2021

The formation and stability of diphenylalanine fibres are studied by combining molecular dynamics simulations with microscopy and spectroscopy experiments, quantitatively detailing their morphology, energetics and growth kinetics.
Evaluation of charge-transfer rates in fullerene-based donor–acceptor dyads with different density functional approximations
Authors: Besalú-Sala Pau , Voityuk Alexander A. , Luis Josep M. , Solà Miquel
Published: February 2021

Charge-transfer rate constants (kCT) are required for the design of fullerene-based solar cells. We have assessed the performance of six long-range corrected hybrid functionals and a meta-hybrid-GGA functional for the calculation ofkCTwith the Marcus equation.
Sulfur-doped g-C3N4 for efficient photocatalytic CO2 reduction: insights by experiment and first-principles calculations
Authors: Zhu Zhi , Liu Zhixiang , Tang Xu , Reeti Kumar , Huo Pengwei , Wong Jonathan Woon-Chung , Zhao Jun
Published: February 2021

Band alignments of bulk-CN and S-CN and the photocatalytic reduction of CO2 for the production of CO.
A versatile approach for shape-controlled synthesis of ultrathin perovskite nanostructures
Authors: Ji Yongqiang , Wang Minqiang , Yang Zhi , Qiu Hengwei , Wang Hui , Padhiar Muhammad Amin , Zhou Yun , Dang Jialin , Gaponenko Nikolai V. , Bhatti Arshad Saleem
Published: February 2021

We demonstrate that ultrathin CsPbBr3 nanostructures can be obtained by a simple mixing of precursor–ligand complexes under ambient conditions.
Two-birds-one-stone: multifunctional supercapacitors beyond traditional energy storage
Authors: Zhou Yang , Qi Hualei , Yang Jinyuan , Bo Zheng , Huang Feng , Islam Mohammad Saiful , Lu Xunyu , Dai Liming , Amal Rose , Wang Chun H. , Han Zhaojun
Published: February 2021

A comprehensive overview on the recent progress of multifunctional supercapacitors which combine energy storage capability with other functions.
Plantaginis Semen polysaccharides ameliorate renal damage through regulating NLRP3 inflammasome in gouty nephropathy rats
Authors: Zhao Hong , Xu Jiao , Wang Ruiyao , Tang Weiwei , Kong Lingzhou , Wang Weihua , Wang Lihong , Zhang Yu , Ma Wei
Published: February 2021

Gouty nephropathy (GN) is considered to be a prevalent renal disease and is an inflammatory event mainly induced by MSU crystals.
Inhibitory activity and mechanism of trilobatin on tyrosinase: kinetics, interaction mechanism and molecular docking
Authors: Yu Shuyan , He Ming , Zhai Yuhan , Xie Zhike , Xu Shuo , Yu Shaoxuan , Xiao Haifang , Song Yuanda
Published: February 2021

Kinetics, multispectroscopic methods and molecular simulation were used to investigate the inhibitory activity and mechanism of trilobatin on tyrosinase.
A single-step purification method for the precise determination of the antimony isotopic composition of environmental, geological and biological samples by HG-MC-ICP-MS
Authors: Colin Ferrari , Eléonore Resongles , Rémi Freydier , Corinne Casiot
Published: February 2021

Thiol-functionalized silica powder allowed single-step purification of antimony for exploring stable Sb isotope signatures in the environment.
Spatially isolated redox processes enabled by ambipolar charge transport in multi-walled carbon nanotube mats
Authors: Fenati Renzo A. , Sherrell Peter C. , Khodakov Dmitriy A. , Shapter Joseph G. , Ellis Amanda V.
Published: February 2021

Ambipolar MWCNTs are shown to transport charge from a spontaneous reaction to drive a spatially isolated redox reaction, maintaining charge neutrality without a salt bridge. This mechanism enables the study of spatially isolated redox couples.
New insensitive high-energy dense biopolymers from giant reed cellulosic fibers: their synthesis, characterization, and non-isothermal decomposition kinetics
Authors: Tarchoun Ahmed Fouzi , Trache Djalal , Klapötke Thomas M. , Selmani Aimen , Saada Mohamed , Chelouche Salim , Mezroua Abderrahmane , Abdelaziz Amir
Published: February 2021

Renewable giant reed has been explored for the first time to develop new advanced high-energy dense biopolymers through carbamate surface functionalization and nitration of native cellulose and cellulose microcrystals.
Can ultra-thin Si FinFETs work well in the sub-10 nm gate-length region?
Authors: Liu Shiqi , Yang Jie , Xu Lin , Li Jingzhen , Yang Chen , Li Ying , Shi Bowen , Pan Yuanyuan , Xu Linqiang , Ma Jiachen , Yang Jinbo , Lu Jing
Published: February 2021

ab initio quantum transport simulation shows that the ultra-thin (WFin = 0.8 nm) Si tri-gate FinFET can work well in the sub-10 nm gate length region when the perfect structure is kept.
Catalytic and highly regenerable aminic organoselenium antioxidants with cytoprotective effects
Authors: Kumar Manish , Chhillar Babli , Yadav Manisha , Sagar Poonam , Singhal Nitin K. , Gates Paul J. , Butcher Ray J. , Singh Vijay P.
Published: February 2021

N-Methyl ebselenamines carrying an aminic group in very close proximity to selenium as excellent chain-breaking and glutathione peroxidase-like antioxidants could reduce the production of ROS in C6 astroglial cell lines with minimal toxic effects.
Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications
Authors: Liu Guan-Lin , Wu Hsin-Wei , Lin Zheng-Ian , Liao Min-Gan , Su Yu-Chia , Chen Chih-Kuang , Ko Bao-Tsan
Published: February 2021

Functional CO2-based polycarbonates via efficient catalysis strategies using well-defined dinickel catalysts and their biomedical applications for the synthesis of drug-loaded nanoparticles were reported.
Boosted interfacial charge transfer in SnO2/SnSe2 heterostructures: toward ultrasensitive room-temperature H2S detection
Authors: Wang Tingting , Wang You , Sun Quan , Zheng Shengliang , Liu Lizhao , Li Jialu , Hao Juanyuan
Published: February 2021

Novel Sn atom cosharing SnO2/SnSe2 heterostructures with a high-quality interface were synthesized via in situ thermal oxidation of SnSe. The boosted interfacial charge transfer endows the material with excellent H2S sensing performance.
Polyoxometalate-based metal–organic frameworks for heterogeneous catalysis
Authors: Zhang Shaowei , Ou Fuxia , Ning Shiggang , Cheng Peng
Published: February 2021

POM-based MOFs simultaneously possessing the virtues of POMs and MOFs exhibit excellent heterogeneous catalytic properties.
Novel and versatile artificial intelligence algorithms for investigating possible GHSR1α and DRD1 agonists for Alzheimer's disease
Authors: Tang Zi-Qiang , Zhao Lu , Chen Guan-Xing , Chen Calvin Yu-Chian
Published: February 2021

Using artificial intelligence technology to screen possible herbal drugs for Alzheimer's disease.
Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates
Authors: Meazza Marta , Cruz Carlos M. , Ortuño Ana M. , Cuerva Juan M. , Crovetto Luis , Rios Ramon
Published: February 2021

The first enantioselective addition of alkyl BODIPYs to Morita–Baylis–Hillman (MBH) carbonates is reported.
Exploring secondary interactions and the role of temperature in moisture-contaminated polymer networks through molecular simulations
Authors: Guha Rishabh D. , Idolor Ogheneovo , Berkowitz Katherine , Pasquinelli Melissa , Grace Landon R.
Published: February 2021

We investigated the effect of temperature variation on the secondary bonding interactions between absorbed moisture and epoxies with different morphologies using molecular dynamics simulations.
Inducing nano-confined crystallization in PLLA and PET by elastic melt stretching
Authors: Razavi Masoud , Zhang Wenwen , Khonakdar Hossein Ali , Janke Andreas , Li Liangbin , Wang Shi-Qing
Published: February 2021

Cold crystallization of pre-melt stretched PLLA and PET permits growth of nano-confined crystals with entanglement mesh size in undisrupted chain networking.  Such PLLA and PET are ductile, transparent, rigid at the water-boiling temperature.
pH-Mediated nanoparticle dynamics in hydrogel nanocomposites
Authors: Rose Katie A. , Lee Daeyeon , Composto Russell J.
Published: February 2021

The effect of static silica particles on the dynamics of quantum dot (QD) nanoparticles grafted with a poly(ethylene glycol) (PEG) brush in hydrogel nanocomposites is investigated using single particle tracking (SPT).
Lewis acid (Ni2+, Co2+/3+ or Zn2+) modified electron-deficient Ir4+ in IrO2/CuO for promoting methane oxidation to ethanol and methanol
Authors: Yang Le , Huang Jinxu , Cen Jie , Chen De-Li , Zeng Hui , Rui Zebao , Luque Rafael , Duan Peigao
Published: February 2021

This work delineates the first attempt to tune the product distribution between methanol and ethanol in the direct oxidation of methane reaction by incorporating Lewis acids Ni2+, Co2+/3+ or Zn2+ into IrO2/CuO.
Synthesis of TS-1 zeolites from a polymer containing titanium and silicon
Authors: Xing Jiacheng , Yuan Danhua , Liu Hanbang , Tong Yansi , Xu Yunpeng , Liu Zhongmin
Published: February 2021

A kind of high hydrolysis resistant polymer was used to synthesize TS-1 zeolites. Extra-framework Ti species free TS-1 zeolites with large external surface areas were synthesized and exhibited high catalytic performance in n-hexane oxidation.
Phosphorus-modified Fe4N@N,P co-doped graphene as an efficient sulfur host for high-performance lithium–sulfur batteries
Authors: Zhang Meng , Wang Lu , Wang Bin , Zhang Bo , Sun Xiuping , Wang Debao , Kong Zhen , Xu Liqiang
Published: February 2021

P-Fe4N@NPG is conveniently fabricated and used as sulfur host for Li–S batteries. The P-Fe4N@NPG has a strong affinity for LiPSs, stable structure and good electrical conductivity, which could improve the electrochemical performance effectively.
Near-infrared fluorescent probe for evaluating the acetylcholinesterase effect in the aging process and dietary restrictionviafluorescence imaging
Authors: He Na , Yu Lei , Xu Minghua , Huang Yan , Wang Xiaoyan , Chen Lingxin , Yue Shouwei
Published: February 2021

NIR fluorescent probe BD-AChE for the detection of AChE level changes in brains and the verification of a decrease in AchE level in aging models.
High field electroformation of sodium bismuth titanate and its solid solutions with barium titanate
Authors: Ren Pengrong , Gehringer Maximilian , Huang Binxiang , Hoang An-Phuc , Steiner Sebastian , Klein Andreas , Frömling Till
Published: February 2021

High electrical fields induce an acceptor doping dependent electroformation process to a highly conductive state in Na1/2Bi1/2TiO3. The mechanism involves mobile sodium and oxygen vacancies.
Enhanced responsivity of a graphene/Si-based heterostructure broadband photodetector by introducing a WS2 interfacial layer
Authors: He Tianying , Lan Changyong , Zhou Sihan , Li Yongjun , Yin Yi , Li Chun , Liu Yong
Published: February 2021

The photodetection performance of the graphene (Gr)/Si 2D/3D heterostructure can be very broadly enhanced by introducing an optimized ultrathin WS2 film prepared by sulfidation as an interfacial layer.
Multifunctional titanium phosphate carriers for enhancing drug delivery and evaluating real-time therapeutic efficacy of a hydrophobic drug component in Euphorbia kansui
Authors: Luo Da , Zhang Yi , Wang Minyu , Zhu Chen , Yao Yue , Yao Weifeng , Zhang Li , Cheng Fang-Fang
Published: February 2021

TiP–PEG/peptide nanocarriers were constructed to enhance hydrophilic drug delivery efficiency and determine real-time therapeutic efficacy according to the fluorescence intensity of FAM triggered by caspase-3.
Correction: Aggregation-induced emission active metal complexes: a promising strategy to tackle bacterial infections
Authors: Prasad Puja , Gupta Ajay , Sasmal Pijus K.
Published: February 2021

Correction for ‘Aggregation-induced emission active metal complexes: a promising strategy to tackle bacterial infections’ by Puja Prasad et al., Chem. Commun., 2021, 57, 174–186, DOI: 10.1039/D0CC06037B.
Proton selective adsorption on Pt–Ni nano-thorn array electrodes for superior hydrogen evolution activity
Authors: Nairan Adeela , Liang Caiwu , Chiang Sum-Wai , Wu Yi , Zou Peichao , Khan Usman , Liu Wendong , Kang Feiyu , Guo Shaojun , Wu Jianbo , Yang Cheng
Published: February 2021

A superior HER activity was achieved by strong localized electric field induced selected H+ accumulation on the cathode.
How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study
Authors: Quesne Matthew G. , Catlow C. Richard A. , de Leeuw Nora H.
Published: February 2021

A first principles density functional study into the bulk and surfaces properties of MAX-phase early transition metal silicon carbides points to their potential as carbon dioxide hydrogenation catalysts.
Correction: An investigation of trace elements’ behavior during chemical preparation of ultramafic matrix rock samples using bomb digestion for analysis by ICP-MS
Authors: Okina Olga Ilyinichna , Lyapunov Sergey Michailovich , Dubenskiy Alexander Sergeevich , Erofeeva Kseniya Gennadievna
Published: February 2021

Correction for ‘An investigation of trace elements’ behavior during chemical preparation of ultramafic matrix rock samples using bomb digestion for analysis by ICP-MS’ by Olga Ilyinichna Okina et al., J. Anal. At. Spectrom., 2020, 35, 2627–2638, DOI: 10.1039/D0JA00255K.
Low-driving-voltage sky-blue phosphorescent organic light-emitting diodes with bicarbazole-bipyridine bipolar host materials
Authors: Li Deli , Liu Di , Li Jiuyan , Dong Ruizhi , Liu Botao , Wei Qinhe
Published: February 2021

Two bipolar host containing bipyridine and bicarbazole exhibited rapid and balanced charge transportation, which resulting the extremely low turn-on voltages of 2.3 and 2.4 V, respectively, and the high efficiency of 23.7% and 52.6 lm W−1.
Synthesis and photophysical properties of donor-substituted phenyl-phosphachromones as potential TADF materials
Authors: Xu Shuangshuang , Huang Haiyang , Yuan Chengxiong , Liu Fen , Ding Haixin , Xiao Qiang
Published: February 2021

A series of novel arylamine-substituted phenyl-phosphachromones were constructed via post-functionalization.
Electrochemical reduction of CO2 towards multi-carbon products via a two-step process
Authors: Fu Xianbiao , Zhang Jiahao , Kang Yijin
Published: February 2021

The two-step electroreduction of CO2 to multi-carbon products with a high selectivity and production rate of industrial relevance provides an alternative route for converting CO2 to fuels and chemicals.
Mussel-inspired ultra-stretchable, universally sticky, and highly conductive nanocomposite hydrogels
Authors: Chen Qin , Feng Lan , Cheng Huitong , Wang Yilin , Wu Hao , Xu Tao , Zhao Weifeng , Zhao Changsheng
Published: February 2021

Developing ultra-stretchable, universally sticky, and highly conductive nanocomposite hydrogels without doping agents and nanoparticle-aggregation is still a challenge.
Doping isolated one-dimensional antiferromagnetic semiconductor vanadium tetrasulfide (VS4) nanowires with carriers induces half-metallicity
Authors: Li Shuo , He Junjie , Nachtigall Petr , Grajciar Lukáš , Brivio Federico
Published: February 2021

Doping isolated one-dimensional antiferromagnetic semiconductor VS4 nanowires with carriers induces half-metallicity.
Taeniid cestodes in a wolf pack living in a highly anthropic hilly agro-ecosystem
Authors: Macchioni Fabio , Coppola Francesca , Furzi Federica , Gabrielli Simona , Baldanti Samuele , Boni Chiara Benedetta , Felicioli Antonio
Published: February 2021

The Italian wolf population in human-modified landscapes has increased greatly in the last few decades. Anthropisation increases the risk of transmission of many zoonotic infections and in this context, control of taeniid cestode species needs to be addressed from a One Health perspective. Predator-prey interactions are at the root of taeniid cestode transmission, and the wolf plays a key role in the maintenance and transmission of taeniids. To date, all available data on the taeniids of wolves in Italy refer to populations living in a wild habitat. Between 2018 and 2019, we investigated taeniids in a wolf pack living in a highly anthropic hilly agro-ecosystem. Thirty-eight faecal samples were collected and analysed, 4 of which were also genetically characterised for individual wolves and belonged to three different animals. Samples collected were analysed microscopically and by molecular analysis in order to identify the taeniid species. Taeniid eggs were detected in 34.2% (13/38) of samples. Within samples positive to taeniid eggs only Echinococcus granulosus s.s. and Taenia hydatigena were identified in 26.3% and 10.5% of the samples, respectively. On microscopic examination, Capillaria spp., Ancylostomatidae and Toxocara canis eggs, Crenosoma vulpis larvae, and coccidian oocysts were also found. The combination of low biodiversity of taeniid species with a high occurrence of E. granulosus s.s. recorded in this study could be the consequence of a deeper link occurring between wolves and livestock in human-modified landscapes than in wild settings.
Estradiol-Responsive miR-365a-3p Interacts with Tissue Factor 3′UTR to Modulate Tissue Factor-Initiated Thrombin Generation
Authors: Tian Jiayin , Adams Murray J. , Tay Jasmine Wee Ting , James Ian , Powell Suzanne , Hughes Quintin W. , Gilmore Grace , Baker Ross I. , Tiao Jim Yu-Hsiang
Published: February 2021

Background High estradiol (E2) levels are linked to an increased risk of venous thromboembolism; however, the underlying molecular mechanism(s) remain poorly understood. We previously identified an E2-responsive microRNA (miR), miR-494–3p, that downregulates protein S expression, and posited additional coagulation factors, such as tissue factor, may be regulated in a similar manner via miRs.

Objectives To evaluate the coagulation capacity of cohorts with high physiological E2, and to further characterize novel E2-responsive miR and miR regulation on tissue factor in E2-related hypercoagulability.

Methods Ceveron Alpha thrombin generation assay (TGA) was used to assess plasma coagulation profile of three cohorts. The effect of physiological levels of E2, 10 nM, on miR expression in HuH-7 cells was compared using NanoString nCounter and validated with independent assays. The effect of tissue factor-interacting miR was confirmed by dual-luciferase reporter assays, immunoblotting, flow cytometry, biochemistry assays, and TGA.

Results Plasma samples from pregnant women and women on the contraceptive pill were confirmed to be hypercoagulable (compared with sex-matched controls). At equivalent and high physiological levels of E2, miR-365a-3p displayed concordant E2 downregulation in two independent miR quantification platforms, and tissue factor protein was upregulated by E2 treatment. Direct interaction between miR-365a-3p and F3-3′UTR was confirmed and overexpression of miR-365a-3p led to a decrease of (1) tissue factor mRNA transcripts, (2) protein levels, (3) activity, and (4) tissue factor-initiated thrombin generation.

Conclusion miR-365a-3p is a novel tissue factor regulator. High E2 concentrations induce a hypercoagulable state via a miR network specific for coagulation factors.
Milled Dry Ice as a C1 Source for the Carboxylation of Aryl Halides
Authors: Nicewicz David A. , O’Brien Connor J.
Published: February 2021

The use of carbon dioxide as a C1 chemical feedstock remains an active field of research. Here we showcase the use of milled dry ice as a method to promote the availability of CO2 in a reaction solution, permitting practical synthesis of arylcarboxylic acids. Notably, the use of milled dry ice produces marked increases in yields relative to those obtained with gaseous CO2, as previously reported in the literature.
Pedicle Screw Instrumentation of the Cervicothoracic Junction in the Sitting Position using CT-guided Navigation: Application and Technical Aspects
Authors: Hore Nirjhar , Lücking Hannes , Schmitt Hubert , Buchfelder Michael , Brandner Sebastian
Published: February 2021

Background We evaluate the feasibility and potential advantages of spinal CT navigation in the placement of pedicle screws at the cervicothoracic junction in the sitting position to counteract the anatomy-related limitations of 2D fluoroscopy.

Methods We retrospectively analyze the data from 15 patients who underwent CT-based navigation-guided placement of a total of 36 pedicle screws at the cervicothoracic junction in the sitting position.

Results CT-based spinal navigation is a useful method in increasing accuracy of pedicle screw instrumentation in the sitting position, successfully counteracting the anatomy-related limitations of 2D fluoroscopy at the cervicothoracic junction.

Conclusion CT-based navigation-guided placement of pedicle screws at the cervicothoracic junction in the sitting position proved to be an accurate, safe, and user-friendly method.